#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n8f n TRP 2 N 0.00 -0.05 -3.17 0.66 8.01 -1.26 -4.86 117.44 116.77 3n8f n TRP 2 Ca 0.00 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.95 3n8f n TRP 2 Cb 0.00 -2.84 -0.05 0.00 -2.01 0.00 0.00 31.31 26.41 3n8f n TRP 2 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3n8f n GLU 3 N -2.53 1.78 -0.06 -0.99 -0.58 -1.26 -5.01 120.64 111.99 3n8f n GLU 3 Ca -0.16 -3.97 -0.12 0.00 -0.42 0.00 0.00 57.16 52.48 3n8f n GLU 3 Cb 0.54 -1.83 -0.06 0.00 -0.57 0.00 0.00 31.44 29.52 3n8f n GLU 3 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 3n8f h VAL 4 N 2.17 1.32 -0.59 2.62 -1.51 -2.07 -3.38 116.25 114.81 3n8f h VAL 4 Ca 0.12 -1.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 3n8f h VAL 4 Cb 0.77 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 3n8f h VAL 4 CO 0.64 0.35 0.00 0.61 -1.23 0.00 0.00 177.57 177.93 3n8f n GLY 5 N 0.03 2.61 3.68 5.19 0.00 -1.26 -4.97 105.19 110.46 3n8f n GLY 5 Ca -0.05 -0.64 -0.48 0.00 0.00 0.00 0.00 46.02 44.85 3n8f n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n8f s GLY 7 N 2.89 -0.60 0.00 0.00 0.00 -1.26 -4.83 107.32 103.51 3n8f s GLY 7 Ca 0.88 0.73 0.00 0.00 0.00 0.00 0.00 44.72 46.33 3n8f s GLY 7 CO 0.47 0.40 0.72 0.00 0.00 0.00 0.00 173.10 174.69 3n8f n ALA 8 N 0.02 1.76 -1.74 3.20 0.00 -1.26 -4.96 120.51 117.53 3n8f n ALA 8 Ca -0.18 -0.60 -0.35 0.00 0.00 0.00 0.00 53.44 52.32 3n8f n ALA 8 Cb 0.63 -0.26 0.01 0.00 0.00 0.00 0.00 19.45 19.82 3n8f n ALA 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3n8f s PRO 9 N 0.00 3.31 -0.28 0.00 0.04 -1.26 -4.88 135.00 131.93 3n8f s PRO 9 Ca 0.00 1.55 -0.28 0.00 0.04 0.00 0.00 61.00 62.31 3n8f s PRO 9 Cb 0.00 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3n8f s PRO 9 CO 0.00 -0.87 2.05 0.14 0.04 0.00 0.00 177.00 178.36 3n8f s VAL 10 N -1.89 3.20 0.00 -0.36 -7.23 -1.26 -4.88 120.40 107.99 3n8f s VAL 10 Ca 0.71 0.21 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 3n8f s VAL 10 Cb -0.23 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.43 3n8f s VAL 10 CO 0.29 -0.18 0.00 -0.81 -0.31 0.00 0.00 175.10 174.08 3n8f n PRO 11 N 8.64 1.56 -2.83 4.82 -0.04 -1.26 -4.79 135.00 141.11 3n8f n PRO 11 Ca 0.27 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.65 3n8f n PRO 11 Cb 0.46 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.95 3n8f n PRO 11 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3n8f n LEU 12 N 0.00 -2.57 -4.03 1.53 4.77 -1.26 -5.05 117.00 110.39 3n8f n LEU 12 Ca 0.00 -0.21 -0.30 0.00 -0.03 0.00 0.00 56.01 55.48 3n8f n LEU 12 Cb 0.00 -1.45 -0.17 0.00 -2.33 0.00 0.00 43.42 39.47 3n8f n LEU 12 CO 0.00 0.22 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.10 3n8f s VAL 13 N -3.12 1.55 0.23 4.08 1.01 -1.26 -5.14 120.40 117.75 3n8f s VAL 13 Ca 0.17 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3n8f s VAL 13 Cb -0.08 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 3n8f s VAL 13 CO 0.27 0.45 -0.08 0.42 0.00 0.00 0.00 175.10 176.16 3n8f s THR 14 N 1.32 1.50 -0.18 3.92 -4.23 -1.26 -5.07 115.64 111.64 3n8f s THR 14 Ca 0.01 -2.13 -0.09 0.00 -1.18 0.00 0.00 61.69 58.30 3n8f s THR 14 Cb -0.13 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.45 3n8f s THR 14 CO -0.08 -0.47 0.12 0.00 -0.54 0.00 0.00 174.62 173.66 3n8f s ASP 16 N 0.07 6.37 0.00 0.00 2.15 -1.26 -4.93 116.67 119.07 3n8f s ASP 16 Ca 0.09 -1.90 0.06 0.00 0.43 0.00 0.00 52.55 51.23 3n8f s ASP 16 Cb -0.11 -2.26 0.34 0.00 -0.30 0.00 0.00 42.92 40.58 3n8f s ASP 16 CO -0.01 -0.91 0.91 -0.62 -0.17 0.00 0.00 175.17 174.37 3n8f n GLU 17 N 5.48 0.15 -0.16 4.34 1.02 -1.26 -1.97 120.64 128.25 3n8f n GLU 17 Ca -0.02 0.08 0.07 0.00 -0.02 0.00 0.00 57.16 57.27 3n8f n GLU 17 Cb 0.43 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.45 3n8f n GLU 17 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3n8f n GLN 18 N -1.10 1.10 -2.83 3.49 1.13 -1.26 -5.04 117.38 112.87 3n8f n GLN 18 Ca 0.04 -2.07 -0.38 0.00 -1.94 0.00 0.00 57.00 52.65 3n8f n GLN 18 Cb 0.03 -1.20 -0.06 0.00 0.11 0.00 0.00 30.24 29.11 3n8f n GLN 18 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3n8f s SER 19 N -2.21 7.41 0.00 1.08 0.15 -0.83 -4.97 113.70 114.32 3n8f s SER 19 Ca 0.21 1.80 0.23 0.00 0.70 0.00 0.00 55.95 58.90 3n8f s SER 19 Cb 0.19 -2.56 1.20 0.00 -1.71 0.00 0.00 66.02 63.14 3n8f s SER 19 CO 0.02 0.04 1.80 -0.81 1.20 0.00 0.00 173.24 175.49 3n8f n PRO 20 N 0.96 1.24 -4.35 5.44 -0.05 -1.26 -4.92 135.00 132.06 3n8f n PRO 20 Ca -0.00 -0.36 -0.27 0.00 -0.05 0.00 0.00 63.50 62.82 3n8f n PRO 20 Cb 0.49 -1.38 -0.13 0.00 -0.05 0.00 0.00 33.50 32.43 3n8f n PRO 20 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 3n8f s TYR 21 N -1.95 2.10 0.50 0.54 2.02 -1.26 -5.07 117.35 114.23 3n8f s TYR 21 Ca 0.35 -0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.44 3n8f s TYR 21 Cb 0.17 -1.13 -0.06 0.00 -0.40 0.00 0.00 41.96 40.54 3n8f s TYR 21 CO 0.27 0.31 1.18 1.03 -1.57 0.00 0.00 175.55 176.77 3n8f s ARG 22 N -2.10 3.52 0.46 -0.62 0.52 -1.26 -5.04 118.95 114.44 3n8f s ARG 22 Ca 0.12 1.79 -0.21 0.00 -0.52 0.00 0.00 55.73 56.91 3n8f s ARG 22 Cb -0.10 -2.24 -0.09 0.00 0.52 0.00 0.00 34.95 33.04 3n8f s ARG 22 CO 0.06 -0.76 1.01 0.95 0.02 0.00 0.00 175.30 176.58 3n8f s THR 23 N -1.58 3.95 0.15 0.02 -4.23 -1.26 -4.98 115.64 107.71 3n8f s THR 23 Ca 0.68 1.23 -0.15 0.00 -1.18 0.00 0.00 61.69 62.27 3n8f s THR 23 Cb -0.29 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.06 3n8f s THR 23 CO 0.34 -0.24 1.74 0.40 -0.54 0.00 0.00 174.62 176.32 3n8f h ILE 24 N 1.70 1.17 0.00 2.99 1.08 -1.92 -2.88 117.51 119.66 3n8f h ILE 24 Ca -0.49 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 63.51 3n8f h ILE 24 Cb 1.21 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 3n8f h ILE 24 CO 0.60 0.18 -0.03 0.71 -0.69 0.00 0.00 178.15 178.92 3n8f h THR 25 N 0.56 0.10 0.00 -0.27 1.35 -1.88 -3.42 112.91 109.36 3n8f h THR 25 Ca 0.15 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3n8f h THR 25 Cb 0.08 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3n8f h THR 25 CO -0.02 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3n8f n GLY 26 N -0.23 0.13 3.69 5.82 0.00 -1.09 -1.55 105.19 111.96 3n8f n GLY 26 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3n8f n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3n8f s ASP 27 N -2.24 3.31 0.00 1.61 1.01 -1.26 -3.97 116.67 115.13 3n8f s ASP 27 Ca 0.00 1.96 0.00 0.00 0.71 0.00 0.00 52.55 55.22 3n8f s ASP 27 Cb 0.00 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.43 3n8f s ASP 27 CO 0.00 -2.82 0.00 0.00 0.21 0.00 0.00 175.17 172.56 3n8f h ASN 29 N 0.00 -0.60 -3.44 0.00 -0.73 -1.77 -3.40 115.58 105.64 3n8f h ASN 29 Ca 0.00 0.02 -0.58 0.00 1.87 0.00 0.00 56.30 57.61 3n8f h ASN 29 Cb 0.28 0.15 -0.08 0.00 0.27 0.00 0.00 38.32 38.94 3n8f h ASN 29 CO 0.00 -0.24 0.71 0.21 -0.37 0.00 0.00 177.43 177.74 3n8f s ASN 30 N -4.43 6.77 0.12 1.15 3.84 -1.26 -4.67 114.94 116.46 3n8f s ASN 30 Ca -0.10 0.75 -0.11 0.00 0.21 0.00 0.00 52.86 53.60 3n8f s ASN 30 Cb 0.01 -2.50 -0.10 0.00 -0.55 0.00 0.00 41.25 38.11 3n8f s ASN 30 CO 0.31 -0.89 1.37 0.03 -2.79 0.00 0.00 177.10 175.13 3n8f h ARG 31 N 8.38 0.81 -0.29 0.43 3.08 -1.94 -2.56 114.38 122.30 3n8f h ARG 31 Ca -0.22 -0.59 -0.02 0.00 0.07 0.00 0.00 59.98 59.22 3n8f h ARG 31 Cb 1.07 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3n8f h ARG 31 CO 1.01 1.21 0.11 -0.09 -1.07 0.00 0.00 179.97 181.14 3n8f h ARG 32 N 0.59 0.43 -3.16 0.04 2.43 -1.96 -3.39 114.38 109.36 3n8f h ARG 32 Ca -0.02 -0.08 -0.59 0.00 -0.81 0.00 0.00 59.98 58.48 3n8f h ARG 32 Cb 1.28 -0.07 -0.40 0.00 -0.42 0.00 0.00 29.97 30.36 3n8f h ARG 32 CO 0.14 0.45 -0.76 0.45 -1.51 0.00 0.00 179.97 178.74 3n8f s SER 33 N -5.72 3.71 0.52 -3.80 0.15 -1.22 -5.04 113.70 102.29 3n8f s SER 33 Ca -0.13 -2.06 0.31 0.00 0.70 0.00 0.00 55.95 54.76 3n8f s SER 33 Cb 0.08 -0.83 1.17 0.00 -1.71 0.00 0.00 66.02 64.73 3n8f s SER 33 CO 0.73 -0.35 1.91 -0.65 1.20 0.00 0.00 173.24 176.08 3n8f h PRO 34 N 7.45 0.00 0.00 5.44 0.11 -1.66 -2.87 132.00 140.48 3n8f h PRO 34 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3n8f h PRO 34 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3n8f h PRO 34 CO 0.44 0.04 -0.20 0.00 -0.21 0.00 0.00 178.00 178.08 3n8f n ALA 35 N -2.12 2.50 -1.58 -0.75 0.00 -1.26 -1.74 120.51 115.56 3n8f n ALA 35 Ca 0.01 -0.10 -0.44 0.00 0.00 0.00 0.00 53.44 52.91 3n8f n ALA 35 Cb 0.35 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 3n8f n ALA 35 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3n8f n LEU 36 N -2.18 3.15 0.00 0.00 4.77 -1.08 -1.79 117.00 119.86 3n8f n LEU 36 Ca 0.05 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3n8f n LEU 36 Cb 0.43 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 3n8f n LEU 36 CO 0.32 -0.63 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 3n8f n GLY 37 N 5.79 0.90 3.90 -0.72 0.00 -1.26 -4.57 105.19 109.23 3n8f n GLY 37 Ca 0.31 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 3n8f n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n8f s ALA 38 N -2.00 3.27 0.47 4.61 0.00 -0.74 -2.57 121.76 124.80 3n8f s ALA 38 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 51.96 51.26 3n8f s ALA 38 Cb 0.00 -2.70 -0.10 0.00 0.00 0.00 0.00 23.12 20.32 3n8f s ALA 38 CO 0.00 -0.66 0.96 0.00 0.00 0.00 0.00 175.76 176.06 3n8f s ALA 39 N -2.96 3.06 -0.54 0.00 0.00 -0.60 -4.22 121.76 116.50 3n8f s ALA 39 Ca 0.52 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3n8f s ALA 39 Cb -0.11 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3n8f s ALA 39 CO 0.47 -0.03 0.00 0.09 0.00 0.00 0.00 175.76 176.29 3n8f n ASN 40 N -1.07 -2.71 -4.52 0.00 3.02 0.24 -4.71 115.26 105.51 3n8f n ASN 40 Ca 0.07 0.03 -0.24 0.00 -0.03 0.00 0.00 54.58 54.40 3n8f n ASN 40 Cb 0.54 -1.77 -0.11 0.00 -0.61 0.00 0.00 39.78 37.83 3n8f n ASN 40 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3n8f s ARG 41 N -3.90 1.76 0.36 3.52 0.52 -1.22 -4.49 118.95 115.51 3n8f s ARG 41 Ca 0.00 -1.96 -0.27 0.00 -0.52 0.00 0.00 55.73 52.99 3n8f s ARG 41 Cb 0.00 -1.34 -0.12 0.00 0.52 0.00 0.00 34.95 34.01 3n8f s ARG 41 CO 0.00 -0.03 1.11 0.00 0.02 0.00 0.00 175.30 176.40 3n8f n ALA 42 N -0.78 0.45 -1.95 2.13 0.00 -1.26 -0.13 120.51 118.98 3n8f n ALA 42 Ca -0.04 0.32 -0.41 0.00 0.00 0.00 0.00 53.44 53.31 3n8f n ALA 42 Cb 0.65 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 3n8f n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n8f s LEU 43 N -0.43 4.43 0.67 0.00 1.43 0.20 -4.68 118.68 120.29 3n8f s LEU 43 Ca 0.59 2.44 -0.17 0.00 -1.03 0.00 0.00 54.13 55.96 3n8f s LEU 43 Cb -0.60 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 41.99 3n8f s LEU 43 CO 0.60 -0.50 1.07 0.00 0.23 0.00 0.00 176.35 177.75 3n8f n ALA 44 N 2.22 0.31 -4.00 4.21 0.00 -1.19 -4.67 120.51 117.38 3n8f n ALA 44 Ca 0.05 -0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 3n8f n ALA 44 Cb 0.43 -2.18 -0.16 0.00 0.00 0.00 0.00 19.45 17.54 3n8f n ALA 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3n8f s ARG 45 N -3.21 2.05 0.44 0.00 0.52 -1.26 -1.70 118.95 115.78 3n8f s ARG 45 Ca 0.77 -0.92 0.24 0.00 -0.52 0.00 0.00 55.73 55.31 3n8f s ARG 45 Cb -0.37 -2.50 0.61 0.00 0.52 0.00 0.00 34.95 33.21 3n8f s ARG 45 CO 0.46 -0.45 1.70 -1.49 0.02 0.00 0.00 175.30 175.53 3n8f h TRP 46 N 7.95 0.00 -3.91 -0.53 6.55 -1.99 -3.45 115.95 120.57 3n8f h TRP 46 Ca -0.26 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.41 3n8f h TRP 46 Cb 1.09 0.00 -0.21 0.00 -0.86 0.00 0.00 29.16 29.18 3n8f h TRP 46 CO 0.52 0.12 -0.67 -0.51 -1.05 0.00 0.00 178.44 176.85 3n8f s LEU 47 N -6.33 2.14 0.35 -4.49 1.43 -1.26 -5.14 118.68 105.37 3n8f s LEU 47 Ca 0.04 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.40 3n8f s LEU 47 Cb 0.07 0.19 -0.12 0.00 0.03 0.00 0.00 46.19 46.36 3n8f s LEU 47 CO 0.65 -0.31 1.38 -2.65 0.23 0.00 0.00 176.35 175.65 3n8f n PRO 48 N 1.57 2.35 -1.19 1.29 -0.02 -1.26 -4.94 135.00 132.80 3n8f n PRO 48 Ca -0.24 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 3n8f n PRO 48 Cb 0.55 -2.48 0.10 0.00 -0.02 0.00 0.00 33.50 31.66 3n8f n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n8f n ALA 49 N 0.54 -0.55 -3.89 3.55 0.00 -1.26 -4.75 120.51 114.16 3n8f n ALA 49 Ca 0.04 -0.30 -0.28 0.00 0.00 0.00 0.00 53.44 52.90 3n8f n ALA 49 Cb 0.37 -2.11 -0.16 0.00 0.00 0.00 0.00 19.45 17.55 3n8f n ALA 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3n8f s GLU 50 N -3.61 1.40 0.27 0.00 2.02 0.75 -4.96 118.70 114.57 3n8f s GLU 50 Ca 0.71 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 55.15 3n8f s GLU 50 Cb -0.31 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 31.80 3n8f s GLU 50 CO 0.53 -0.46 0.11 0.71 0.02 0.00 0.00 175.26 176.17 3n8f s TYR 51 N 1.62 1.54 0.08 1.61 2.02 -1.26 -4.00 117.35 118.96 3n8f s TYR 51 Ca -0.00 -1.22 -0.20 0.00 -0.37 0.00 0.00 57.07 55.28 3n8f s TYR 51 Cb -0.16 -0.89 -0.10 0.00 -0.40 0.00 0.00 41.96 40.42 3n8f s TYR 51 CO -0.08 -0.37 1.54 1.49 -1.57 0.00 0.00 175.55 176.56 3n8f h GLU 52 N 2.35 0.33 -0.02 -0.62 4.81 -0.10 -3.12 114.58 118.21 3n8f h GLU 52 Ca -0.37 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3n8f h GLU 52 Cb 1.25 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3n8f h GLU 52 CO 0.59 0.50 -0.08 -0.40 -0.73 0.00 0.00 179.01 178.89 3n8f n ASP 53 N -4.73 2.54 0.00 1.04 5.75 -1.25 -4.92 116.55 114.97 3n8f n ASP 53 Ca -0.04 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 3n8f n ASP 53 Cb 0.20 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3n8f n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3n8f n GLY 54 N 1.33 0.90 0.00 6.12 0.00 -1.18 -4.88 105.19 107.48 3n8f n GLY 54 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3n8f n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n8f n LEU 55 N 0.00 0.00 -0.17 0.99 7.99 -1.26 -4.66 117.00 119.89 3n8f n LEU 55 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 56.02 3n8f n LEU 55 Cb 0.00 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.35 3n8f n LEU 55 CO 0.00 0.00 0.51 0.00 -1.51 0.00 0.00 177.39 176.39 3n8f n ALA 56 N -3.00 2.09 -2.66 -1.18 0.00 -1.26 -3.48 120.51 111.01 3n8f n ALA 56 Ca 0.00 -1.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.07 3n8f n ALA 56 Cb 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.23 3n8f n ALA 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3n8f s VAL 57 N -0.94 5.25 0.80 0.00 1.01 -1.26 -5.02 120.40 120.24 3n8f s VAL 57 Ca 0.06 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 3n8f s VAL 57 Cb 0.03 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 33.02 3n8f s VAL 57 CO 0.04 0.31 1.11 -2.84 0.00 0.00 0.00 175.10 173.72 3n8f s PRO 58 N 1.36 2.02 0.08 2.72 0.02 -1.26 0.53 135.00 140.48 3n8f s PRO 58 Ca 0.07 1.28 -0.30 0.00 0.02 0.00 0.00 61.00 62.07 3n8f s PRO 58 Cb -0.15 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 3n8f s PRO 58 CO 0.07 -1.84 1.18 -0.06 -0.33 0.00 0.00 177.00 176.02 3n8f s PHE 59 N -2.79 3.47 0.00 6.54 0.40 -1.26 -3.18 117.98 121.15 3n8f s PHE 59 Ca 0.63 1.36 0.00 0.00 -0.60 0.00 0.00 56.93 58.33 3n8f s PHE 59 Cb -0.19 -3.39 0.00 0.00 0.51 0.00 0.00 43.02 39.95 3n8f s PHE 59 CO 0.55 -1.13 0.00 0.41 0.70 0.00 0.00 175.22 175.75 3n8f n GLY 60 N 2.98 2.97 0.36 4.36 0.00 -1.26 -4.91 105.19 109.68 3n8f n GLY 60 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 3n8f n GLY 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3n8f h TRP 61 N 0.00 -1.02 -3.12 1.61 2.91 -1.94 -3.42 115.95 110.97 3n8f h TRP 61 Ca 0.00 0.01 -0.59 0.00 1.13 0.00 0.00 58.89 59.44 3n8f h TRP 61 Cb 0.00 0.41 -0.05 0.00 -0.51 0.00 0.00 29.16 29.01 3n8f h TRP 61 CO 0.00 -0.47 -0.17 0.99 -1.03 0.00 0.00 178.44 177.76 3n8f s THR 62 N -5.01 4.97 0.08 2.65 2.01 -1.26 -5.02 115.64 114.05 3n8f s THR 62 Ca -0.13 0.82 -0.06 0.00 0.31 0.00 0.00 61.69 62.63 3n8f s THR 62 Cb 0.03 -3.73 -0.27 0.00 0.01 0.00 0.00 72.50 68.54 3n8f s THR 62 CO 0.43 0.46 1.16 1.56 -0.69 0.00 0.00 174.62 177.53 3n8f h GLN 63 N 4.28 0.34 0.00 4.92 1.08 -2.02 -3.30 115.11 120.41 3n8f h GLN 63 Ca -0.50 -0.53 -0.07 0.00 -1.45 0.00 0.00 58.65 56.10 3n8f h GLN 63 Cb 1.21 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.82 3n8f h GLN 63 CO 0.63 1.23 -0.35 0.07 -0.95 0.00 0.00 178.83 179.46 3n8f h ARG 64 N 0.12 0.00 -7.14 1.46 0.11 -1.98 -3.45 114.38 103.49 3n8f h ARG 64 Ca -0.14 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.46 3n8f h ARG 64 Cb 1.92 0.00 0.04 0.00 1.11 0.00 0.00 29.97 33.04 3n8f h ARG 64 CO 0.21 0.35 0.38 0.15 0.10 0.00 0.00 179.97 181.16 3n8f s LYS 65 N -4.12 3.60 0.02 0.08 -0.14 -1.24 -5.07 119.74 112.86 3n8f s LYS 65 Ca -0.02 1.25 0.03 0.00 -1.36 0.00 0.00 55.97 55.87 3n8f s LYS 65 Cb 0.14 -2.07 -0.02 0.00 -1.68 0.00 0.00 37.83 34.20 3n8f s LYS 65 CO 0.71 -0.58 -0.09 0.95 -0.76 0.00 0.00 175.35 175.57 3n8f s THR 66 N -2.25 0.70 -0.31 2.17 -4.23 -1.26 -4.70 115.64 105.76 3n8f s THR 66 Ca 0.65 -0.73 -0.21 0.00 -1.18 0.00 0.00 61.69 60.22 3n8f s THR 66 Cb -0.16 -0.66 -0.01 0.00 1.34 0.00 0.00 72.50 73.02 3n8f s THR 66 CO 0.28 -0.05 0.64 -0.60 -0.54 0.00 0.00 174.62 174.36 3n8f s ARG 67 N -0.87 3.89 -1.68 3.99 3.52 -0.28 -4.31 118.95 123.21 3n8f s ARG 67 Ca -0.01 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 3n8f s ARG 67 Cb -0.06 -3.73 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 3n8f s ARG 67 CO 0.00 -0.59 0.00 0.09 -0.81 0.00 0.00 175.30 173.99 3n8f n ASN 68 N 5.92 -5.38 0.00 -2.12 3.02 -1.26 -2.14 115.26 113.29 3n8f n ASN 68 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3n8f n ASN 68 Cb 0.49 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.11 3n8f n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n8f n GLY 69 N -0.87 0.68 3.08 7.41 0.00 -1.26 -5.07 105.19 109.17 3n8f n GLY 69 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 3n8f n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n8f s PHE 70 N -2.59 0.70 0.52 1.61 0.40 -0.91 -4.99 117.98 112.71 3n8f s PHE 70 Ca 0.00 -0.62 -0.21 0.00 -0.60 0.00 0.00 56.93 55.50 3n8f s PHE 70 Cb 0.00 -0.42 -0.06 0.00 0.51 0.00 0.00 43.02 43.06 3n8f s PHE 70 CO 0.00 -0.11 1.20 1.03 0.70 0.00 0.00 175.22 178.04 3n8f s ARG 71 N -2.17 3.39 0.38 0.44 0.52 -1.26 -1.13 118.95 119.12 3n8f s ARG 71 Ca -0.05 1.83 -0.26 0.00 -0.52 0.00 0.00 55.73 56.73 3n8f s ARG 71 Cb -0.06 -2.19 -0.09 0.00 0.52 0.00 0.00 34.95 33.13 3n8f s ARG 71 CO -0.01 -0.87 1.24 0.14 0.02 0.00 0.00 175.30 175.82 3n8f s VAL 72 N -1.56 2.87 0.63 3.52 -7.23 -1.26 -4.88 120.40 112.50 3n8f s VAL 72 Ca 0.70 0.79 -0.13 0.00 -1.81 0.00 0.00 61.98 61.53 3n8f s VAL 72 Cb -0.30 -3.47 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 3n8f s VAL 72 CO 0.35 0.12 1.05 -2.16 -0.31 0.00 0.00 175.10 174.14 3n8f s PRO 73 N -2.13 3.27 0.71 4.82 0.04 -1.26 -4.99 135.00 135.47 3n8f s PRO 73 Ca 0.55 0.99 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 3n8f s PRO 73 Cb -0.35 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.16 3n8f s PRO 73 CO 0.45 -0.84 1.02 1.28 0.04 0.00 0.00 177.00 178.96 3n8f n LEU 74 N -2.58 3.88 0.02 -3.56 4.77 -1.26 -4.93 117.00 113.33 3n8f n LEU 74 Ca 0.07 0.69 -0.12 0.00 -0.03 0.00 0.00 56.01 56.63 3n8f n LEU 74 Cb 0.53 -1.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.13 3n8f n LEU 74 CO 0.53 -1.88 0.87 0.00 -1.33 0.00 0.00 177.39 175.57 3n8f h ALA 75 N -0.16 0.05 -0.26 -1.18 0.00 -1.90 -3.02 119.26 112.79 3n8f h ALA 75 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3n8f h ALA 75 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3n8f h ALA 75 CO 0.48 -0.43 0.00 -2.13 0.00 0.00 0.00 179.25 177.17 3n8f n ARG 76 N -5.04 1.86 -0.02 0.00 0.63 -1.26 -2.84 116.66 109.99 3n8f n ARG 76 Ca -0.06 -1.05 0.08 0.00 -0.92 0.00 0.00 57.85 55.89 3n8f n ARG 76 Cb 0.05 -1.36 -0.16 0.00 0.45 0.00 0.00 32.46 31.43 3n8f n ARG 76 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3n8f n GLU 77 N 0.30 0.66 0.04 -0.14 2.13 -1.14 -2.45 120.64 120.04 3n8f n GLU 77 Ca 0.10 -0.17 -0.19 0.00 0.66 0.00 0.00 57.16 57.55 3n8f n GLU 77 Cb 0.33 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.41 3n8f n GLU 77 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3n8f h VAL 78 N 0.00 1.42 -0.93 6.31 2.07 -1.55 -2.28 116.25 121.29 3n8f h VAL 78 Ca -0.07 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.13 3n8f h VAL 78 Cb 1.13 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 33.67 3n8f h VAL 78 CO 0.00 0.68 0.59 0.77 0.02 0.00 0.00 177.57 179.63 3n8f h SER 79 N -0.10 1.09 -0.05 0.57 4.64 -1.68 0.34 113.55 118.37 3n8f h SER 79 Ca -0.12 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 3n8f h SER 79 Cb 1.57 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3n8f h SER 79 CO 0.16 0.81 -0.14 0.78 -0.87 0.00 0.00 176.83 177.56 3n8f h ASN 80 N 1.27 0.21 -0.07 4.97 2.35 -1.47 -2.94 115.58 119.90 3n8f h ASN 80 Ca 0.34 -0.62 -0.09 0.00 -0.55 0.00 0.00 56.30 55.38 3n8f h ASN 80 Cb -0.11 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.20 3n8f h ASN 80 CO -0.07 0.79 -0.31 0.11 -1.65 0.00 0.00 177.43 176.30 3n8f h LYS 81 N -0.36 0.32 0.01 0.81 1.57 -1.28 -3.41 116.57 114.23 3n8f h LYS 81 Ca -0.01 -0.26 -0.40 0.00 -1.87 0.00 0.00 60.65 58.12 3n8f h LYS 81 Cb 0.77 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.07 3n8f h LYS 81 CO 0.03 0.90 -2.45 -0.89 -0.57 0.00 0.00 179.45 176.47 3n8f n ILE 82 N -4.44 1.51 0.01 1.86 2.08 0.10 -4.77 119.36 115.71 3n8f n ILE 82 Ca -0.08 -0.54 -0.08 0.00 0.56 0.00 0.00 62.75 62.60 3n8f n ILE 82 Cb 0.49 -1.52 -0.13 0.00 -0.75 0.00 0.00 39.64 37.73 3n8f n ILE 82 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3n8f h VAL 83 N -0.17 1.14 -4.33 1.39 2.07 -1.56 -3.44 116.25 111.35 3n8f h VAL 83 Ca -0.59 -2.94 -0.49 0.00 0.82 0.00 0.00 66.70 63.50 3n8f h VAL 83 Cb 1.86 2.56 0.07 0.00 -1.52 0.00 0.00 31.29 34.26 3n8f h VAL 83 CO -0.14 0.65 0.37 -0.83 0.02 0.00 0.00 177.57 177.65 3n8f s GLY 84 N -4.98 1.62 -0.27 2.17 0.00 -1.11 -1.30 107.32 103.46 3n8f s GLY 84 Ca -0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 44.72 44.07 3n8f s GLY 84 CO 0.82 -0.05 0.71 -2.52 0.00 0.00 0.00 173.10 172.06 3n8f s TYR 85 N -3.29 -0.87 -0.09 1.90 1.13 -1.26 -4.64 117.35 110.23 3n8f s TYR 85 Ca 0.57 1.98 -0.26 0.00 -1.41 0.00 0.00 57.07 57.96 3n8f s TYR 85 Cb -0.11 0.38 -0.22 0.00 -1.10 0.00 0.00 41.96 40.91 3n8f s TYR 85 CO 0.51 -0.42 0.92 1.25 -2.51 0.00 0.00 175.55 175.29 3n8f h LEU 86 N 5.61 -0.02-10.29 -3.49 5.85 -1.98 -3.43 115.31 107.57 3n8f h LEU 86 Ca -0.29 -0.71 -0.49 0.00 0.84 0.00 0.00 57.88 57.23 3n8f h LEU 86 Cb 1.18 0.01 0.17 0.00 0.37 0.00 0.00 40.66 42.38 3n8f h LEU 86 CO 0.09 0.73 0.22 -0.62 -0.34 0.00 0.00 178.44 178.51 3n8f s ASP 87 N -5.92 3.12 0.00 1.25 -1.08 -1.26 -4.98 116.67 107.80 3n8f s ASP 87 Ca -0.16 1.73 0.00 0.00 -0.52 0.00 0.00 52.55 53.60 3n8f s ASP 87 Cb -0.01 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 3n8f s ASP 87 CO 0.63 -2.90 0.42 -1.84 0.52 0.00 0.00 175.17 172.01 3n8f n GLU 88 N -4.07 0.01 -3.20 4.34 0.28 -1.26 -5.03 120.64 111.71 3n8f n GLU 88 Ca 0.08 -0.42 -0.39 0.00 -0.16 0.00 0.00 57.16 56.27 3n8f n GLU 88 Cb 0.54 -0.50 -0.05 0.00 1.43 0.00 0.00 31.44 32.85 3n8f n GLU 88 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3n8f s GLU 89 N -0.00 4.35 -1.03 3.44 2.56 -1.26 -4.22 118.70 122.54 3n8f s GLU 89 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 54.97 55.65 3n8f s GLU 89 Cb 0.00 -3.40 0.00 0.00 2.00 0.00 0.00 34.13 32.73 3n8f s GLU 89 CO 0.00 0.22 0.00 0.41 -0.56 0.00 0.00 175.26 175.33 3n8f n GLY 90 N 2.88 0.96 0.15 -1.50 0.00 -1.26 -4.90 105.19 101.53 3n8f n GLY 90 Ca -0.05 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.53 3n8f n GLY 90 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3n8f h VAL 91 N 0.00 0.00 -3.67 1.61 -1.51 -1.94 -3.48 116.25 107.26 3n8f h VAL 91 Ca -0.21 -0.99 -0.56 0.00 -1.23 0.00 0.00 66.70 63.71 3n8f h VAL 91 Cb 0.74 1.67 0.12 0.00 -2.13 0.00 0.00 31.29 31.69 3n8f h VAL 91 CO 0.30 0.00 0.57 0.18 -1.23 0.00 0.00 177.57 177.39 3n8f n LEU 92 N -2.82 4.35 -4.77 4.19 4.77 -1.26 -0.25 117.00 121.21 3n8f n LEU 92 Ca 0.01 1.13 -0.35 0.00 -0.03 0.00 0.00 56.01 56.77 3n8f n LEU 92 Cb 0.54 -1.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.11 3n8f n LEU 92 CO 0.38 -0.45 0.79 -0.62 -1.33 0.00 0.00 177.39 176.16 3n8f s ASP 93 N -0.47 5.60 -0.06 -1.43 -1.08 0.09 -4.43 116.67 114.88 3n8f s ASP 93 Ca 0.60 2.20 0.18 0.00 -0.52 0.00 0.00 52.55 55.00 3n8f s ASP 93 Cb -0.49 -2.58 -0.27 0.00 -1.46 0.00 0.00 42.92 38.12 3n8f s ASP 93 CO 0.59 -1.31 0.32 0.00 0.52 0.00 0.00 175.17 175.29 3n8f n GLN 94 N -1.43 0.72 -1.43 4.34 1.13 -1.26 -4.52 117.38 114.93 3n8f n GLN 94 Ca 0.12 -0.13 -0.01 0.00 -1.94 0.00 0.00 57.00 55.04 3n8f n GLN 94 Cb 0.51 -1.44 0.10 0.00 0.11 0.00 0.00 30.24 29.52 3n8f n GLN 94 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3n8f n ASN 95 N -2.26 2.11 -3.72 1.08 5.15 -1.26 -4.56 115.26 111.80 3n8f n ASN 95 Ca -0.09 -3.09 -0.17 0.00 -0.60 0.00 0.00 54.58 50.63 3n8f n ASN 95 Cb 0.62 -0.42 -0.17 0.00 -0.53 0.00 0.00 39.78 39.28 3n8f n ASN 95 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3n8f s ARG 96 N -2.48 -0.04 0.67 1.20 1.81 -1.26 -3.30 118.95 115.55 3n8f s ARG 96 Ca 0.38 0.30 -0.12 0.00 -1.72 0.00 0.00 55.73 54.57 3n8f s ARG 96 Cb 0.38 -0.35 -0.00 0.00 -0.45 0.00 0.00 34.95 34.53 3n8f s ARG 96 CO -0.07 -0.24 1.06 -1.54 -0.68 0.00 0.00 175.30 173.82 3n8f s SER 97 N 1.59 5.50 0.58 0.23 1.04 -0.97 -2.41 113.70 119.25 3n8f s SER 97 Ca -0.03 1.64 0.27 0.00 0.48 0.00 0.00 55.95 58.31 3n8f s SER 97 Cb -0.12 -2.50 1.64 0.00 0.10 0.00 0.00 66.02 65.13 3n8f s SER 97 CO -0.03 -1.36 2.13 0.25 0.98 0.00 0.00 173.24 175.21 3n8f h LEU 98 N -0.49 0.00 0.00 2.42 5.85 -1.23 0.26 115.31 122.11 3n8f h LEU 98 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3n8f h LEU 98 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3n8f h LEU 98 CO 0.57 0.00 0.00 -0.11 -0.34 0.00 0.00 178.44 178.56 3n8f n LEU 99 N -3.92 0.00 0.06 2.25 7.94 -1.22 -2.09 117.00 120.02 3n8f n LEU 99 Ca 0.01 0.46 -0.10 0.00 -1.11 0.00 0.00 56.01 55.26 3n8f n LEU 99 Cb 0.27 -0.46 0.01 0.00 0.53 0.00 0.00 43.42 43.78 3n8f n LEU 99 CO 0.29 -0.22 0.32 0.15 -1.11 0.00 0.00 177.39 176.81 3n8f h PHE 100 N 0.00 0.55 -0.14 1.96 3.57 -0.73 -2.97 116.94 119.17 3n8f h PHE 100 Ca 0.00 -0.26 -0.07 0.00 3.53 0.00 0.00 57.97 61.17 3n8f h PHE 100 Cb 0.23 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 3n8f h PHE 100 CO 0.00 1.03 -0.19 1.98 -2.23 0.00 0.00 178.31 178.90 3n8f h MET 101 N 0.26 0.38 -0.43 1.11 4.05 -1.54 -3.30 114.93 115.46 3n8f h MET 101 Ca -0.04 -0.22 -0.05 0.00 -0.28 0.00 0.00 59.70 59.12 3n8f h MET 101 Cb 1.37 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.16 3n8f h MET 101 CO 0.13 0.79 0.08 1.96 0.23 0.00 0.00 176.91 180.11 3n8f h GLN 102 N -0.00 0.66 0.00 0.39 1.08 -1.53 -2.63 115.11 113.09 3n8f h GLN 102 Ca 0.02 -0.13 -0.10 0.00 -1.45 0.00 0.00 58.65 56.99 3n8f h GLN 102 Cb 0.74 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 3n8f h GLN 102 CO 0.04 0.62 -0.49 2.35 -0.95 0.00 0.00 178.83 180.40 3n8f h TRP 103 N 0.64 0.00 0.00 2.96 2.91 -1.65 -2.02 115.95 118.78 3n8f h TRP 103 Ca 0.14 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.13 3n8f h TRP 103 Cb 0.28 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.93 3n8f h TRP 103 CO 0.01 0.49 -0.15 0.78 -1.03 0.00 0.00 178.44 178.55 3n8f h GLY 104 N 2.60 0.00 0.61 2.65 0.00 -1.54 -1.13 103.07 106.25 3n8f h GLY 104 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 3n8f h GLY 104 CO 0.06 0.00 -1.93 -0.18 0.00 0.00 0.00 176.54 174.50 3n8f n GLN 105 N -3.84 0.65 0.06 4.80 7.27 -1.05 -2.00 117.38 123.28 3n8f n GLN 105 Ca -0.02 0.17 -0.13 0.00 0.07 0.00 0.00 57.00 57.09 3n8f n GLN 105 Cb 0.25 -1.69 -0.09 0.00 2.41 0.00 0.00 30.24 31.12 3n8f n GLN 105 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 3n8f h ILE 106 N 0.00 1.02 -0.56 1.69 1.08 -1.26 -1.98 117.51 117.50 3n8f h ILE 106 Ca -0.36 -0.89 0.04 0.00 -0.39 0.00 0.00 64.86 63.26 3n8f h ILE 106 Cb 2.02 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 37.28 3n8f h ILE 106 CO 0.06 0.20 0.32 0.58 -0.69 0.00 0.00 178.15 178.61 3n8f h VAL 107 N -0.63 1.01 -0.16 1.67 2.07 -1.36 -2.19 116.25 116.65 3n8f h VAL 107 Ca -0.02 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3n8f h VAL 107 Cb 0.48 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3n8f h VAL 107 CO 0.03 0.11 -0.11 -0.78 0.02 0.00 0.00 177.57 176.84 3n8f h ASP 108 N 0.61 -0.36 0.45 0.57 1.82 -1.46 -2.48 116.42 115.56 3n8f h ASP 108 Ca 0.24 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.93 3n8f h ASP 108 Cb 0.09 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.29 3n8f h ASP 108 CO -0.13 -0.15 -0.13 0.45 -1.61 0.00 0.00 179.24 177.67 3n8f h HIS 109 N -0.11 0.00 -0.00 0.28 3.86 -1.05 -1.24 115.15 116.89 3n8f h HIS 109 Ca 0.10 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 3n8f h HIS 109 Cb 0.26 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3n8f h HIS 109 CO -0.25 0.13 -0.48 0.22 0.86 0.00 0.00 177.93 178.41 3n8f h ASP 110 N 0.00 0.01 0.01 2.45 1.82 -0.94 -3.38 116.42 116.40 3n8f h ASP 110 Ca -0.00 -0.00 -0.39 0.00 -0.39 0.00 0.00 57.03 56.25 3n8f h ASP 110 Cb 0.39 -0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.33 3n8f h ASP 110 CO 0.02 0.49 -2.44 0.18 -1.61 0.00 0.00 179.24 175.87 3n8f n LEU 111 N -3.97 2.62 -4.00 2.28 4.77 -0.54 -4.37 117.00 113.79 3n8f n LEU 111 Ca -0.02 -0.10 -0.15 0.00 -0.03 0.00 0.00 56.01 55.71 3n8f n LEU 111 Cb 0.50 -0.76 -0.13 0.00 -2.33 0.00 0.00 43.42 40.70 3n8f n LEU 111 CO 0.40 0.88 -0.40 1.51 -1.33 0.00 0.00 177.39 178.45 3n8f s ASP 112 N -6.43 0.72 -0.29 -1.43 3.84 -0.75 -4.37 116.67 107.96 3n8f s ASP 112 Ca -0.31 -0.25 0.03 0.00 -0.00 0.00 0.00 52.55 52.01 3n8f s ASP 112 Cb 0.09 -0.04 0.19 0.00 -1.38 0.00 0.00 42.92 41.78 3n8f s ASP 112 CO 0.64 -0.02 0.58 0.12 -0.00 0.00 0.00 175.17 176.48 3n8f s PHE 113 N -0.56 -1.72 -0.55 2.11 5.36 -1.26 -4.65 117.98 116.71 3n8f s PHE 113 Ca -0.02 1.25 -0.19 0.00 -0.96 0.00 0.00 56.93 57.00 3n8f s PHE 113 Cb -0.05 0.37 0.08 0.00 -0.34 0.00 0.00 43.02 43.08 3n8f s PHE 113 CO 0.00 -1.01 0.69 0.00 -1.46 0.00 0.00 175.22 173.44 3n8f s ALA 114 N 2.82 3.37 0.38 11.12 0.00 -1.25 0.15 121.76 138.35 3n8f s ALA 114 Ca 0.14 -1.91 -0.24 0.00 0.00 0.00 0.00 51.96 49.94 3n8f s ALA 114 Cb -0.12 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 3n8f s ALA 114 CO -0.24 -2.20 1.01 -1.25 0.00 0.00 0.00 175.76 173.08 3n8f s PRO 115 N 2.78 4.29 0.98 0.00 0.04 -1.26 -4.78 135.00 137.05 3n8f s PRO 115 Ca 0.15 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 3n8f s PRO 115 Cb -0.21 -2.59 0.17 0.00 0.04 0.00 0.00 34.50 31.92 3n8f s PRO 115 CO 0.10 -0.01 1.10 -2.00 0.04 0.00 0.00 177.00 176.22 3n8f s GLU 116 N -2.42 0.61 0.86 4.56 2.12 -1.26 -1.62 118.70 121.55 3n8f s GLU 116 Ca 0.56 0.53 -0.11 0.00 0.36 0.00 0.00 54.97 56.31 3n8f s GLU 116 Cb -0.20 -1.76 0.11 0.00 0.26 0.00 0.00 34.13 32.54 3n8f s GLU 116 CO 0.25 -2.61 1.09 -0.08 -0.54 0.00 0.00 175.26 173.38 3n8f s THR 117 N -3.00 2.84 0.12 -1.70 -1.32 -0.90 -4.48 115.64 107.20 3n8f s THR 117 Ca 0.65 0.27 -0.35 0.00 -1.21 0.00 0.00 61.69 61.05 3n8f s THR 117 Cb -0.18 -2.75 -0.16 0.00 -1.51 0.00 0.00 72.50 67.89 3n8f s THR 117 CO 0.57 -0.36 1.27 1.21 -2.21 0.00 0.00 174.62 175.10 3n8f n GLU 118 N -3.79 1.15 -2.44 7.08 2.13 -1.26 -4.81 120.64 118.70 3n8f n GLU 118 Ca 0.08 0.41 -0.42 0.00 0.66 0.00 0.00 57.16 57.89 3n8f n GLU 118 Cb 0.55 -2.00 -0.03 0.00 0.27 0.00 0.00 31.44 30.23 3n8f n GLU 118 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3n8f s LEU 119 N 0.56 4.27 0.63 4.31 1.98 -1.26 -4.92 118.68 124.24 3n8f s LEU 119 Ca 0.80 1.81 -0.17 0.00 -2.89 0.00 0.00 54.13 53.68 3n8f s LEU 119 Cb -0.91 -3.56 -0.02 0.00 0.66 0.00 0.00 46.19 42.36 3n8f s LEU 119 CO 0.49 -0.61 1.16 -0.83 -1.89 0.00 0.00 176.35 174.67 3n8f s GLY 120 N 1.56 2.48 -0.27 7.98 0.00 -1.26 -4.98 107.32 112.82 3n8f s GLY 120 Ca 0.56 0.82 -0.24 0.00 0.00 0.00 0.00 44.72 45.86 3n8f s GLY 120 CO 0.21 1.19 0.79 -0.56 0.00 0.00 0.00 173.10 174.73 3n8f s SER 121 N -1.99 6.72 -1.53 1.64 0.01 -1.26 -4.41 113.70 112.88 3n8f s SER 121 Ca 0.73 0.82 -0.08 0.00 1.31 0.00 0.00 55.95 58.74 3n8f s SER 121 Cb -0.26 -2.41 0.06 0.00 0.21 0.00 0.00 66.02 63.62 3n8f s SER 121 CO 0.36 -0.55 0.56 -1.20 0.41 0.00 0.00 173.24 172.83 3n8f n SER 122 N 6.07 -1.56 -4.77 2.44 7.64 -1.26 -4.83 113.62 117.35 3n8f n SER 122 Ca 0.04 -1.01 -0.38 0.00 1.01 0.00 0.00 58.87 58.53 3n8f n SER 122 Cb 0.48 -2.92 -0.00 0.00 -1.01 0.00 0.00 64.21 60.76 3n8f n SER 122 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3n8f s GLU 123 N -6.74 3.75 -0.00 1.43 0.41 -1.26 -4.96 118.70 111.34 3n8f s GLU 123 Ca 0.31 1.91 0.00 0.00 -0.41 0.00 0.00 54.97 56.78 3n8f s GLU 123 Cb -0.17 -2.49 -0.01 0.00 -1.78 0.00 0.00 34.13 29.69 3n8f s GLU 123 CO 0.91 -0.59 0.01 1.58 -0.49 0.00 0.00 175.26 176.67 3n8f n HIS 124 N -0.37 0.00 0.03 1.61 -0.00 -1.26 -4.75 115.22 110.49 3n8f n HIS 124 Ca 0.07 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.21 3n8f n HIS 124 Cb 0.47 -0.01 0.19 0.00 -0.12 0.00 0.00 29.99 30.52 3n8f n HIS 124 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 3n8f h SER 125 N 0.00 0.44 -0.93 0.26 0.87 -1.97 -2.79 113.55 109.42 3n8f h SER 125 Ca 0.00 -0.17 0.08 0.00 -1.23 0.00 0.00 61.79 60.47 3n8f h SER 125 Cb 0.02 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 61.79 3n8f h SER 125 CO 0.00 0.75 0.59 0.11 -0.53 0.00 0.00 176.83 177.74 3n8f h LYS 126 N 0.37 1.00 -0.63 2.24 1.57 -2.01 -2.87 116.57 116.24 3n8f h LYS 126 Ca 0.04 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3n8f h LYS 126 Cb 0.76 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3n8f h LYS 126 CO 0.06 0.66 0.19 0.28 -0.57 0.00 0.00 179.45 180.08 3n8f h VAL 127 N 1.03 1.25 -0.08 0.50 2.07 -1.83 -2.55 116.25 116.65 3n8f h VAL 127 Ca 0.42 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 67.10 3n8f h VAL 127 Cb 0.24 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3n8f h VAL 127 CO -0.20 0.33 0.05 1.56 0.02 0.00 0.00 177.57 179.33 3n8f h GLN 128 N 0.91 0.04 0.04 1.57 4.20 -1.52 -0.82 115.11 119.53 3n8f h GLN 128 Ca 0.20 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 3n8f h GLN 128 Cb 0.30 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3n8f h GLN 128 CO -0.01 0.02 -0.02 0.00 -0.67 0.00 0.00 178.83 178.16 3n8f h GLU 130 N -0.98 -0.82 0.00 0.00 4.81 -1.34 -2.63 114.58 113.60 3n8f h GLU 130 Ca -0.00 0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 3n8f h GLU 130 Cb 0.45 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3n8f h GLU 130 CO 0.01 -0.55 -1.61 0.39 -0.73 0.00 0.00 179.01 176.52 3n8f n GLU 131 N -5.52 0.64 -0.00 1.92 1.02 -0.32 -4.43 120.64 113.94 3n8f n GLU 131 Ca -0.10 0.09 0.02 0.00 -0.02 0.00 0.00 57.16 57.15 3n8f n GLU 131 Cb 0.43 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 3n8f n GLU 131 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3n8f n TYR 132 N -2.71 0.00 -3.30 -0.32 4.02 -1.22 -5.02 117.16 108.60 3n8f n TYR 132 Ca -0.10 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.61 3n8f n TYR 132 Cb 0.79 -0.07 0.06 0.00 -0.02 0.00 0.00 39.34 40.10 3n8f n TYR 132 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3n8f s VAL 134 N -3.25 4.49 0.68 0.00 1.01 -0.71 -4.97 120.40 117.65 3n8f s VAL 134 Ca 0.36 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 3n8f s VAL 134 Cb -0.16 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 31.70 3n8f s VAL 134 CO 0.56 -1.16 1.20 -1.58 0.00 0.00 0.00 175.10 174.13 3n8f s GLN 135 N 3.66 2.44 0.00 2.72 0.74 -1.26 -4.54 119.66 123.41 3n8f s GLN 135 Ca 0.24 1.76 0.00 0.00 0.05 0.00 0.00 55.36 57.40 3n8f s GLN 135 Cb -0.16 -1.87 0.00 0.00 1.10 0.00 0.00 33.01 32.08 3n8f s GLN 135 CO 0.14 -1.61 0.00 0.41 -0.55 0.00 0.00 175.29 173.69 3n8f n GLY 136 N 0.35 4.56 7.00 2.59 0.00 -0.93 -5.03 105.19 113.73 3n8f n GLY 136 Ca 0.13 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3n8f n GLY 136 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3n8f n ASP 137 N 0.00 0.00 -1.06 1.61 2.03 -1.26 -2.97 116.55 114.90 3n8f n ASP 137 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 3n8f n ASP 137 Cb 0.00 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 40.65 3n8f n ASP 137 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3n8f n GLU 138 N 13.58 2.39 -3.60 -0.67 -0.58 -1.26 -4.69 120.64 125.81 3n8f n GLU 138 Ca 0.00 -2.02 -0.40 0.00 -0.42 0.00 0.00 57.16 54.32 3n8f n GLU 138 Cb 0.00 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.29 3n8f n GLU 138 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3n8f n PHE 140 N 5.00 3.48 -1.90 0.00 7.35 -0.54 -2.19 117.46 128.66 3n8f n PHE 140 Ca -0.12 -4.21 -0.36 0.00 -0.76 0.00 0.00 57.45 52.00 3n8f n PHE 140 Cb 0.46 -0.70 0.05 0.00 0.35 0.00 0.00 39.48 39.64 3n8f n PHE 140 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3n8f s PRO 141 N -1.74 2.82 -0.41 -7.13 0.02 -1.26 -4.48 135.00 122.81 3n8f s PRO 141 Ca 0.29 1.94 -0.14 0.00 0.02 0.00 0.00 61.00 63.11 3n8f s PRO 141 Cb 0.00 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.64 3n8f s PRO 141 CO -0.12 -1.35 0.30 -1.50 -0.33 0.00 0.00 177.00 173.99 3n8f s ILE 142 N -1.50 5.13 0.16 2.83 2.07 -0.89 -4.96 121.20 124.04 3n8f s ILE 142 Ca 0.79 -0.76 -0.30 0.00 -1.41 0.00 0.00 60.65 58.98 3n8f s ILE 142 Cb -0.34 -3.89 -0.07 0.00 0.13 0.00 0.00 42.46 38.29 3n8f s ILE 142 CO 0.36 -0.34 1.07 -0.04 -1.91 0.00 0.00 174.94 174.09 3n8f s MET 143 N 1.65 4.61 0.04 3.50 -1.94 -1.26 -1.22 119.30 124.68 3n8f s MET 143 Ca 0.04 1.66 -0.30 0.00 -1.71 0.00 0.00 55.69 55.38 3n8f s MET 143 Cb -0.20 -3.30 -0.05 0.00 2.01 0.00 0.00 34.83 33.30 3n8f s MET 143 CO 0.09 0.10 1.13 -0.06 -0.01 0.00 0.00 175.02 176.27 3n8f s PHE 144 N -0.16 3.50 1.05 -0.03 0.08 -0.63 -4.54 117.98 117.26 3n8f s PHE 144 Ca 0.49 1.43 -0.17 0.00 0.12 0.00 0.00 56.93 58.80 3n8f s PHE 144 Cb -0.28 -3.32 0.23 0.00 -0.57 0.00 0.00 43.02 39.07 3n8f s PHE 144 CO 0.34 -0.87 1.22 -1.25 -0.10 0.00 0.00 175.22 174.56 3n8f s PRO 145 N 1.09 -0.05 0.42 0.24 0.04 -1.26 -4.98 135.00 130.50 3n8f s PRO 145 Ca 0.56 -0.20 -0.26 0.00 0.04 0.00 0.00 61.00 61.14 3n8f s PRO 145 Cb -0.27 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 3n8f s PRO 145 CO 0.28 -2.91 1.38 0.21 0.04 0.00 0.00 177.00 176.00 3n8f s LYS 146 N -5.64 3.87 -1.00 4.56 2.20 -1.26 -3.54 119.74 118.94 3n8f s LYS 146 Ca 0.72 2.32 -0.02 0.00 -0.36 0.00 0.00 55.97 58.62 3n8f s LYS 146 Cb -0.07 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 3n8f s LYS 146 CO 0.54 -0.63 0.32 0.09 -0.36 0.00 0.00 175.35 175.31 3n8f n ASN 147 N 0.04 -4.36 -4.82 1.43 5.03 -1.26 -5.03 115.26 106.29 3n8f n ASN 147 Ca 0.04 -0.15 -0.37 0.00 0.87 0.00 0.00 54.58 54.97 3n8f n ASN 147 Cb 0.42 -3.29 -0.07 0.00 -1.02 0.00 0.00 39.78 35.83 3n8f n ASN 147 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3n8f s ASP 148 N -2.75 6.45 0.00 6.41 2.15 -1.23 -4.98 116.67 122.72 3n8f s ASP 148 Ca 0.16 0.54 0.25 0.00 0.43 0.00 0.00 52.55 53.93 3n8f s ASP 148 Cb -0.07 -2.13 1.20 0.00 -0.30 0.00 0.00 42.92 41.62 3n8f s ASP 148 CO 0.20 0.30 1.82 -2.65 -0.17 0.00 0.00 175.17 174.67 3n8f n PRO 149 N 2.48 0.24 0.16 4.34 -0.02 -1.26 -2.73 135.00 138.21 3n8f n PRO 149 Ca -0.17 0.06 0.05 0.00 -2.02 0.00 0.00 63.50 61.42 3n8f n PRO 149 Cb 0.53 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.58 3n8f n PRO 149 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3n8f h LYS 150 N 0.00 0.00 -0.90 -0.52 1.57 -1.94 -3.09 116.57 111.70 3n8f h LYS 150 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3n8f h LYS 150 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 3n8f h LYS 150 CO 0.00 0.39 0.59 -0.07 -0.57 0.00 0.00 179.45 179.79 3n8f h LEU 151 N 0.00 1.02 -1.10 2.94 3.38 -1.67 0.56 115.31 120.44 3n8f h LEU 151 Ca -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3n8f h LEU 151 Cb 1.29 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3n8f h LEU 151 CO 0.05 0.74 -0.11 0.11 0.09 0.00 0.00 178.44 179.32 3n8f h LYS 152 N 1.21 0.00 0.00 1.13 1.57 -1.69 -3.36 116.57 115.43 3n8f h LYS 152 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3n8f h LYS 152 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3n8f h LYS 152 CO -0.07 0.11 -0.12 0.25 -0.57 0.00 0.00 179.45 179.05 3n8f n THR 153 N -3.22 0.00 -0.04 -0.16 -2.24 -1.12 -5.00 114.28 102.50 3n8f n THR 153 Ca 0.01 -0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.44 3n8f n THR 153 Cb 0.40 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 3n8f n THR 153 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n8f n GLN 154 N -0.71 0.17 -3.85 -0.78 6.02 0.19 -5.08 117.38 113.35 3n8f n GLN 154 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3n8f n GLN 154 Cb 0.00 -0.78 0.00 0.00 1.02 0.00 0.00 30.24 30.48 3n8f n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3n8f n GLY 155 N 2.51 -1.11 0.10 1.08 0.00 -1.20 -4.96 105.19 101.62 3n8f n GLY 155 Ca -0.15 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.86 3n8f n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n8f h LYS 156 N 0.00 0.00 -3.05 1.61 1.57 -1.89 -3.37 116.57 111.45 3n8f h LYS 156 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3n8f h LYS 156 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.15 3n8f h LYS 156 CO 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 178.82 3n8f s MET 158 N -2.75 4.19 0.52 0.00 -1.94 -0.35 -4.97 119.30 114.00 3n8f s MET 158 Ca -0.04 0.07 -0.22 0.00 -1.71 0.00 0.00 55.69 53.79 3n8f s MET 158 Cb -0.00 -3.49 -0.06 0.00 2.01 0.00 0.00 34.83 33.29 3n8f s MET 158 CO -0.04 0.10 1.35 -0.35 -0.01 0.00 0.00 175.02 176.06 3n8f n PRO 159 N 4.06 1.76 -3.62 2.03 -0.04 -1.26 -2.09 135.00 135.84 3n8f n PRO 159 Ca -0.11 0.64 -0.12 0.00 -0.04 0.00 0.00 63.50 63.87 3n8f n PRO 159 Cb 0.52 -2.55 -0.12 0.00 -0.04 0.00 0.00 33.50 31.31 3n8f n PRO 159 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3n8f s PHE 160 N -1.27 -0.56 -0.16 0.54 2.19 -1.26 -4.82 117.98 112.64 3n8f s PHE 160 Ca 0.69 1.07 -0.06 0.00 0.33 0.00 0.00 56.93 58.97 3n8f s PHE 160 Cb -0.43 0.05 -0.04 0.00 -1.31 0.00 0.00 43.02 41.29 3n8f s PHE 160 CO 0.51 -0.44 0.04 -0.06 1.83 0.00 0.00 175.22 177.10 3n8f s PHE 161 N 2.48 3.23 0.70 10.12 0.40 -1.26 -1.47 117.98 132.18 3n8f s PHE 161 Ca 0.02 0.06 -0.13 0.00 -0.60 0.00 0.00 56.93 56.27 3n8f s PHE 161 Cb -0.13 -2.01 0.02 0.00 0.51 0.00 0.00 43.02 41.42 3n8f s PHE 161 CO -0.11 0.21 1.11 1.03 0.70 0.00 0.00 175.22 178.16 3n8f s ARG 162 N 0.10 2.56 0.44 0.44 0.52 -0.92 -4.63 118.95 117.46 3n8f s ARG 162 Ca 0.04 1.34 -0.22 0.00 -0.52 0.00 0.00 55.73 56.37 3n8f s ARG 162 Cb -0.12 -1.92 -0.09 0.00 0.52 0.00 0.00 34.95 33.33 3n8f s ARG 162 CO 0.01 -1.43 1.04 0.00 0.02 0.00 0.00 175.30 174.93 3n8f s ALA 163 N -2.50 2.98 0.88 2.13 0.00 -1.26 -2.12 121.76 121.87 3n8f s ALA 163 Ca 0.66 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 3n8f s ALA 163 Cb -0.20 -3.25 0.12 0.00 0.00 0.00 0.00 23.12 19.78 3n8f s ALA 163 CO 0.46 -0.23 1.13 0.41 0.00 0.00 0.00 175.76 177.53 3n8f n GLY 164 N -0.00 -0.32 3.19 0.00 0.00 -0.64 -4.79 105.19 102.62 3n8f n GLY 164 Ca 0.07 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 3n8f n GLY 164 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3n8f s PHE 165 N -2.42 0.32 -0.39 1.61 -0.71 -1.26 -3.50 117.98 111.62 3n8f s PHE 165 Ca 0.69 -0.77 0.12 0.00 -1.04 0.00 0.00 56.93 55.94 3n8f s PHE 165 Cb -0.25 -0.17 -0.15 0.00 -1.21 0.00 0.00 43.02 41.23 3n8f s PHE 165 CO 0.56 -0.52 0.44 1.33 -1.34 0.00 0.00 175.22 175.69 3n8f n VAL 166 N -0.04 0.00 -0.26 -2.49 0.24 -0.92 -4.50 118.33 110.37 3n8f n VAL 166 Ca -0.13 -0.24 -0.06 0.00 -2.04 0.00 0.00 64.34 61.87 3n8f n VAL 166 Cb 0.62 0.73 0.05 0.00 -1.47 0.00 0.00 33.84 33.78 3n8f n VAL 166 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3n8f n PRO 168 N -4.39 0.19 0.00 0.00 -0.05 -1.26 -4.18 135.00 125.30 3n8f n PRO 168 Ca 0.06 -0.74 0.02 0.00 -0.05 0.00 0.00 63.50 62.78 3n8f n PRO 168 Cb 0.16 0.71 0.00 0.00 -0.05 0.00 0.00 33.50 34.32 3n8f n PRO 168 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 3n8f n THR 169 N -0.15 0.00 -0.03 0.52 5.66 -1.26 -4.74 114.28 114.27 3n8f n THR 169 Ca 0.00 -0.47 -0.03 0.00 -3.05 0.00 0.00 64.05 60.50 3n8f n THR 169 Cb 0.15 1.04 -0.01 0.00 -1.55 0.00 0.00 70.33 69.96 3n8f n THR 169 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3n8f n PRO 170 N -0.35 0.20 -3.53 1.09 -0.02 -1.26 -4.88 135.00 126.25 3n8f n PRO 170 Ca 0.01 0.08 -0.12 0.00 -2.02 0.00 0.00 63.50 61.46 3n8f n PRO 170 Cb 0.07 -0.82 -0.04 0.00 -0.02 0.00 0.00 33.50 32.69 3n8f n PRO 170 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3n8f s PRO 171 N -1.76 1.16 0.19 0.52 0.05 -1.26 -5.06 135.00 128.84 3n8f s PRO 171 Ca -0.11 -0.53 -0.21 0.00 0.05 0.00 0.00 61.00 60.20 3n8f s PRO 171 Cb 0.02 0.52 0.05 0.00 0.05 0.00 0.00 34.50 35.14 3n8f s PRO 171 CO 0.16 -0.47 0.61 -0.47 0.05 0.00 0.00 177.00 176.88 3n8f s TYR 172 N -3.56 -0.36 -0.22 0.56 5.04 -1.26 -4.93 117.35 112.62 3n8f s TYR 172 Ca 0.01 0.07 -0.01 0.00 -2.44 0.00 0.00 57.07 54.70 3n8f s TYR 172 Cb 0.00 0.55 0.06 0.00 0.35 0.00 0.00 41.96 42.93 3n8f s TYR 172 CO -0.11 -0.95 -0.02 -0.65 -1.34 0.00 0.00 175.55 172.49 3n8f s GLN 173 N -3.82 1.24 0.35 4.97 -0.21 -1.26 -4.96 119.66 115.98 3n8f s GLN 173 Ca 0.05 -0.77 -0.14 0.00 0.02 0.00 0.00 55.36 54.52 3n8f s GLN 173 Cb -0.02 -2.40 0.05 0.00 1.00 0.00 0.00 33.01 31.64 3n8f s GLN 173 CO -0.06 -0.62 0.73 -1.13 -2.12 0.00 0.00 175.29 172.09 3n8f n SER 174 N 4.82 -2.08 -4.51 5.90 3.41 -1.26 -5.10 113.62 114.80 3n8f n SER 174 Ca -0.11 -2.43 -0.46 0.00 -0.26 0.00 0.00 58.87 55.61 3n8f n SER 174 Cb 0.45 3.46 -0.02 0.00 -0.26 0.00 0.00 64.21 67.84 3n8f n SER 174 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3n8f n LEU 175 N 0.00 0.51 -4.52 1.04 7.94 -1.26 -4.12 117.00 116.59 3n8f n LEU 175 Ca -0.08 1.16 -0.49 0.00 -1.11 0.00 0.00 56.01 55.49 3n8f n LEU 175 Cb 0.54 -1.15 -0.04 0.00 0.53 0.00 0.00 43.42 43.31 3n8f n LEU 175 CO 0.25 -2.07 0.46 0.00 -1.11 0.00 0.00 177.39 174.92 3n8f n ALA 176 N 0.13 -1.69 -1.76 1.96 0.00 -1.26 -4.68 120.51 113.21 3n8f n ALA 176 Ca 0.13 0.46 -0.41 0.00 0.00 0.00 0.00 53.44 53.62 3n8f n ALA 176 Cb 0.29 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3n8f n ALA 176 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3n8f n ARG 177 N 1.31 2.54 -5.23 0.00 1.85 -1.23 -5.01 116.66 110.89 3n8f n ARG 177 Ca 0.16 0.89 -0.32 0.00 -1.00 0.00 0.00 57.85 57.58 3n8f n ARG 177 Cb 0.24 -2.60 -0.17 0.00 -1.05 0.00 0.00 32.46 28.88 3n8f n ARG 177 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3n8f s ASP 178 N -0.19 3.10 0.26 2.89 1.01 -1.26 -4.95 116.67 117.53 3n8f s ASP 178 Ca 0.54 -0.54 -0.14 0.00 0.71 0.00 0.00 52.55 53.12 3n8f s ASP 178 Cb -0.49 -1.25 -0.08 0.00 1.01 0.00 0.00 42.92 42.11 3n8f s ASP 178 CO 0.63 0.18 0.66 -1.10 0.21 0.00 0.00 175.17 175.75 3n8f s GLN 179 N 0.20 3.97 -0.06 8.23 1.11 -1.26 -2.16 119.66 129.69 3n8f s GLN 179 Ca -0.14 0.56 -0.06 0.00 0.01 0.00 0.00 55.36 55.73 3n8f s GLN 179 Cb -0.17 -2.61 -0.04 0.00 -1.01 0.00 0.00 33.01 29.18 3n8f s GLN 179 CO 0.07 0.27 0.18 0.96 0.01 0.00 0.00 175.29 176.79 3n8f s ILE 180 N -1.82 5.44 -0.53 1.08 -4.36 -1.23 -0.63 121.20 119.16 3n8f s ILE 180 Ca 0.49 0.09 -0.19 0.00 -0.26 0.00 0.00 60.65 60.79 3n8f s ILE 180 Cb -0.12 -3.48 0.07 0.00 1.25 0.00 0.00 42.46 40.18 3n8f s ILE 180 CO 0.19 0.48 0.62 0.21 0.24 0.00 0.00 174.94 176.68 3n8f s ASN 181 N -1.45 6.20 0.00 4.36 2.47 0.82 -3.87 114.94 123.47 3n8f s ASN 181 Ca 0.21 -1.14 0.21 0.00 0.42 0.00 0.00 52.86 52.57 3n8f s ASN 181 Cb -0.13 -2.28 1.25 0.00 -1.45 0.00 0.00 41.25 38.64 3n8f s ASN 181 CO 0.11 -0.93 1.63 0.00 -3.72 0.00 0.00 177.10 174.20 3n8f n ALA 182 N 6.07 2.29 -2.44 1.71 0.00 0.12 0.81 120.51 129.08 3n8f n ALA 182 Ca -0.08 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.01 3n8f n ALA 182 Cb 0.44 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 3n8f n ALA 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3n8f s VAL 183 N -2.00 1.34 0.26 0.00 -7.23 -1.26 -4.06 120.40 107.45 3n8f s VAL 183 Ca 0.31 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.16 3n8f s VAL 183 Cb 0.14 -2.66 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 3n8f s VAL 183 CO 0.24 -0.12 0.94 0.42 -0.31 0.00 0.00 175.10 176.27 3n8f s THR 184 N -3.20 4.12 -1.48 5.32 -4.23 -1.26 -4.14 115.64 110.77 3n8f s THR 184 Ca 0.34 2.00 0.04 0.00 -1.18 0.00 0.00 61.69 62.89 3n8f s THR 184 Cb 0.07 -4.23 0.17 0.00 1.34 0.00 0.00 72.50 69.85 3n8f s THR 184 CO 0.14 0.39 0.98 -1.20 -0.54 0.00 0.00 174.62 174.39 3n8f n SER 185 N 1.21 1.46 -4.49 3.99 7.64 -1.06 -4.28 113.62 118.09 3n8f n SER 185 Ca -0.01 -2.10 -0.30 0.00 1.01 0.00 0.00 58.87 57.47 3n8f n SER 185 Cb 0.48 -0.31 -0.12 0.00 -1.01 0.00 0.00 64.21 63.25 3n8f n SER 185 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3n8f s PHE 186 N -1.61 2.59 -0.67 1.43 0.08 -1.26 -4.73 117.98 113.81 3n8f s PHE 186 Ca 0.12 -0.23 -0.26 0.00 0.12 0.00 0.00 56.93 56.68 3n8f s PHE 186 Cb 0.08 -1.43 -0.02 0.00 -0.57 0.00 0.00 43.02 41.07 3n8f s PHE 186 CO 0.06 0.32 1.84 -0.51 -0.10 0.00 0.00 175.22 176.83 3n8f s LEU 187 N -1.73 3.27 -0.27 -0.37 1.43 -1.26 -4.71 118.68 115.02 3n8f s LEU 187 Ca 0.16 0.13 0.20 0.00 -1.03 0.00 0.00 54.13 53.59 3n8f s LEU 187 Cb -0.11 -2.54 0.47 0.00 0.03 0.00 0.00 46.19 44.05 3n8f s LEU 187 CO 0.08 -2.40 1.24 -0.90 0.23 0.00 0.00 176.35 174.60 3n8f n ASP 188 N 12.75 0.63 -4.19 2.29 5.75 -1.26 -4.75 116.55 127.76 3n8f n ASP 188 Ca 0.23 -2.08 -0.29 0.00 -0.01 0.00 0.00 54.79 52.64 3n8f n ASP 188 Cb 0.51 -0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 40.41 3n8f n ASP 188 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3n8f n ALA 189 N -0.85 -1.98 -0.03 2.12 0.00 -1.26 -4.79 120.51 113.72 3n8f n ALA 189 Ca -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.06 3n8f n ALA 189 Cb 0.83 -1.13 0.24 0.00 0.00 0.00 0.00 19.45 19.39 3n8f n ALA 189 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3n8f h SER 190 N -1.78 0.58 -0.33 0.00 0.02 -1.86 -1.98 113.55 108.20 3n8f h SER 190 Ca -0.65 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.07 3n8f h SER 190 Cb 1.39 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 3n8f h SER 190 CO 0.68 0.68 -0.14 0.17 -1.14 0.00 0.00 176.83 177.08 3n8f h LEU 191 N 0.57 0.77 0.18 5.07 8.10 -1.84 0.33 115.31 128.49 3n8f h LEU 191 Ca 0.11 -0.24 -0.31 0.00 0.11 0.00 0.00 57.88 57.55 3n8f h LEU 191 Cb 0.42 -0.21 0.03 0.00 -0.44 0.00 0.00 40.66 40.47 3n8f h LEU 191 CO 0.02 0.92 -1.31 0.58 -4.11 0.00 0.00 178.44 174.54 3n8f h VAL 192 N 0.70 1.30 0.00 0.15 2.07 -1.80 -1.01 116.25 117.66 3n8f h VAL 192 Ca 0.11 -2.56 -0.31 0.00 0.82 0.00 0.00 66.70 64.76 3n8f h VAL 192 Cb 0.63 2.89 -0.06 0.00 -1.52 0.00 0.00 31.29 33.23 3n8f h VAL 192 CO 0.04 0.77 -2.01 -1.22 0.02 0.00 0.00 177.57 175.18 3n8f n TYR 193 N -3.79 0.52 0.00 1.57 4.02 -0.76 -3.61 117.16 115.11 3n8f n TYR 193 Ca -0.15 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3n8f n TYR 193 Cb 1.02 -1.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 3n8f n TYR 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3n8f n GLY 194 N 1.63 2.78 0.59 2.72 0.00 0.10 -4.39 105.19 108.62 3n8f n GLY 194 Ca -0.23 -1.88 0.06 0.00 0.00 0.00 0.00 46.02 43.96 3n8f n GLY 194 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3n8f n SER 195 N 0.00 2.99 -3.92 1.61 7.64 -1.26 -4.80 113.62 115.88 3n8f n SER 195 Ca 0.00 -2.26 -0.20 0.00 1.01 0.00 0.00 58.87 57.42 3n8f n SER 195 Cb 0.00 -0.28 -0.16 0.00 -1.01 0.00 0.00 64.21 62.76 3n8f n SER 195 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3n8f s GLU 196 N -1.46 0.82 0.00 1.43 2.02 -1.26 -4.37 118.70 115.88 3n8f s GLU 196 Ca 0.25 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.08 3n8f s GLU 196 Cb 0.16 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.58 3n8f s GLU 196 CO 0.12 -0.02 0.01 -2.30 0.02 0.00 0.00 175.26 173.08 3n8f n PRO 197 N 3.78 0.01 0.00 0.39 -0.02 -1.26 -1.34 135.00 136.56 3n8f n PRO 197 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 3n8f n PRO 197 Cb 0.52 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 3n8f n PRO 197 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3n8f n LEU 199 N 0.56 0.00 -0.34 2.45 7.94 -1.26 -4.24 117.00 122.11 3n8f n LEU 199 Ca 0.00 0.00 0.27 0.00 -1.11 0.00 0.00 56.01 55.17 3n8f n LEU 199 Cb 0.00 0.00 0.57 0.00 0.53 0.00 0.00 43.42 44.52 3n8f n LEU 199 CO 0.00 0.00 1.24 0.00 -1.11 0.00 0.00 177.39 177.52 3n8f h ALA 200 N 0.00 2.44 0.00 1.96 0.00 -1.41 -2.55 119.26 119.69 3n8f h ALA 200 Ca 0.00 0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.60 3n8f h ALA 200 Cb 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3n8f h ALA 200 CO 0.00 -0.88 -2.31 -1.13 0.00 0.00 0.00 179.25 174.93 3n8f n SER 201 N -4.58 0.26 0.29 0.00 3.41 -1.26 -3.99 113.62 107.76 3n8f n SER 201 Ca 0.27 0.04 0.17 0.00 -0.26 0.00 0.00 58.87 59.10 3n8f n SER 201 Cb 1.02 0.76 0.98 0.00 -0.26 0.00 0.00 64.21 66.71 3n8f n SER 201 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3n8f h ARG 202 N 0.00 0.00 0.00 4.33 0.11 -1.84 0.35 114.38 117.34 3n8f h ARG 202 Ca -0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.56 3n8f h ARG 202 Cb 2.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.28 3n8f h ARG 202 CO 0.03 0.00 -0.05 1.28 0.10 0.00 0.00 179.97 181.33 3n8f n LEU 203 N -3.60 0.15 -4.93 0.08 4.77 -1.05 -4.84 117.00 107.57 3n8f n LEU 203 Ca -0.02 0.47 -0.26 0.00 -0.03 0.00 0.00 56.01 56.16 3n8f n LEU 203 Cb 0.14 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 3n8f n LEU 203 CO 0.25 -0.01 0.02 -0.13 -1.33 0.00 0.00 177.39 176.19 3n8f s ARG 204 N -3.01 3.50 -0.90 3.23 0.52 0.12 0.42 118.95 122.83 3n8f s ARG 204 Ca 0.13 -0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 54.78 3n8f s ARG 204 Cb 0.18 -2.84 0.19 0.00 0.52 0.00 0.00 34.95 33.00 3n8f s ARG 204 CO 0.55 0.39 0.96 1.21 0.02 0.00 0.00 175.30 178.43 3n8f s ASN 205 N -3.35 6.76 0.00 0.23 3.84 0.53 -4.13 114.94 118.82 3n8f s ASN 205 Ca 0.38 -2.51 0.27 0.00 0.21 0.00 0.00 52.86 51.20 3n8f s ASN 205 Cb -0.11 -2.29 0.82 0.00 -0.55 0.00 0.00 41.25 39.12 3n8f s ASN 205 CO 0.30 -0.75 1.61 0.18 -2.79 0.00 0.00 177.10 175.64 3n8f n LEU 206 N 4.95 1.34 -0.10 3.21 4.77 -1.26 -3.91 117.00 125.99 3n8f n LEU 206 Ca 0.19 -0.41 -0.08 0.00 -0.03 0.00 0.00 56.01 55.69 3n8f n LEU 206 Cb 0.47 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.58 3n8f n LEU 206 CO 0.42 0.24 0.72 0.28 -1.33 0.00 0.00 177.39 177.71 3n8f h SER 207 N 1.86 0.82 -2.48 -1.43 0.02 -1.97 -3.45 113.55 106.92 3n8f h SER 207 Ca 0.00 -0.28 -0.47 0.00 -0.84 0.00 0.00 61.79 60.20 3n8f h SER 207 Cb 0.53 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3n8f h SER 207 CO 0.00 1.00 -0.30 -0.94 -1.14 0.00 0.00 176.83 175.45 3n8f s SER 208 N -6.74 6.26 -0.17 3.07 1.04 -1.25 -5.02 113.70 110.90 3n8f s SER 208 Ca -0.10 0.24 0.08 0.00 0.48 0.00 0.00 55.95 56.66 3n8f s SER 208 Cb 0.13 -1.89 0.51 0.00 0.10 0.00 0.00 66.02 64.87 3n8f s SER 208 CO 0.84 -0.23 1.32 -0.81 0.98 0.00 0.00 173.24 175.34 3n8f n PRO 209 N -1.63 3.28 0.00 4.02 -0.05 -1.26 -4.51 135.00 134.85 3n8f n PRO 209 Ca -0.06 -1.98 0.13 0.00 -0.05 0.00 0.00 63.50 61.54 3n8f n PRO 209 Cb 0.57 -1.96 0.31 0.00 -0.05 0.00 0.00 33.50 32.37 3n8f n PRO 209 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 3n8f n LEU 210 N 0.29 1.69 -1.83 1.53 4.77 -1.26 -3.04 117.00 119.15 3n8f n LEU 210 Ca 0.20 -0.55 -0.14 0.00 -0.03 0.00 0.00 56.01 55.49 3n8f n LEU 210 Cb 0.90 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.96 3n8f n LEU 210 CO 0.23 0.30 -0.06 0.61 -1.33 0.00 0.00 177.39 177.13 3n8f n GLY 211 N 1.30 -0.12 3.91 -0.72 0.00 -1.25 -4.64 105.19 103.67 3n8f n GLY 211 Ca 0.14 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 3n8f n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n8f s LEU 212 N -4.22 3.97 0.40 0.99 1.43 -1.26 -3.60 118.68 116.40 3n8f s LEU 212 Ca 0.12 0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 3n8f s LEU 212 Cb -0.05 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 3n8f s LEU 212 CO 0.15 -0.28 0.80 -0.04 0.23 0.00 0.00 176.35 177.21 3n8f s MET 213 N -3.86 3.85 0.58 1.70 -1.94 -1.26 -0.35 119.30 118.01 3n8f s MET 213 Ca 0.44 0.58 -0.21 0.00 -1.71 0.00 0.00 55.69 54.80 3n8f s MET 213 Cb -0.10 -2.36 -0.04 0.00 2.01 0.00 0.00 34.83 34.34 3n8f s MET 213 CO 0.33 -0.03 1.33 0.00 -0.01 0.00 0.00 175.02 176.64 3n8f n ALA 214 N -1.15 1.42 -2.30 3.03 0.00 0.17 -4.27 120.51 117.40 3n8f n ALA 214 Ca 0.03 0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.40 3n8f n ALA 214 Cb 0.54 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 3n8f n ALA 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3n8f s VAL 215 N -1.32 0.91 0.05 0.00 -7.23 -1.26 -4.51 120.40 107.04 3n8f s VAL 215 Ca 0.75 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 58.60 3n8f s VAL 215 Cb -0.41 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.21 3n8f s VAL 215 CO 0.47 -0.37 1.23 0.21 -0.31 0.00 0.00 175.10 176.32 3n8f s ASN 216 N -3.26 7.04 -0.04 4.85 3.84 -0.67 -4.52 114.94 122.18 3n8f s ASN 216 Ca 0.27 2.02 0.08 0.00 0.21 0.00 0.00 52.86 55.45 3n8f s ASN 216 Cb 0.06 -2.58 -0.24 0.00 -0.55 0.00 0.00 41.25 37.94 3n8f s ASN 216 CO 0.07 -0.51 0.66 1.56 -2.79 0.00 0.00 177.10 176.09 3n8f h GLN 217 N 6.94 0.06 0.05 0.43 1.08 -1.92 -3.40 115.11 118.35 3n8f h GLN 217 Ca -0.41 -0.10 -0.28 0.00 -1.45 0.00 0.00 58.65 56.42 3n8f h GLN 217 Cb 1.21 0.04 0.02 0.00 -0.05 0.00 0.00 27.48 28.70 3n8f h GLN 217 CO 0.83 0.67 -1.11 0.93 -0.95 0.00 0.00 178.83 179.20 3n8f h GLU 218 N 0.02 0.66 -6.71 1.46 4.39 -1.98 -3.45 114.58 108.96 3n8f h GLU 218 Ca -0.29 -0.78 -0.69 0.00 0.34 0.00 0.00 59.36 57.93 3n8f h GLU 218 Cb 2.00 0.24 -0.26 0.00 -0.10 0.00 0.00 28.75 30.63 3n8f h GLU 218 CO 0.09 1.34 -0.87 0.00 -1.16 0.00 0.00 179.01 178.41 3n8f s ALA 219 N -3.16 2.29 0.05 3.43 0.00 -1.26 -5.13 121.76 117.97 3n8f s ALA 219 Ca -0.10 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 3n8f s ALA 219 Cb 0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3n8f s ALA 219 CO 0.92 0.54 -0.02 -1.58 0.00 0.00 0.00 175.76 175.62 3n8f s TRP 220 N -0.80 0.51 -0.16 0.00 0.52 -1.26 -4.56 118.94 113.19 3n8f s TRP 220 Ca 0.12 -1.05 -0.04 0.00 0.02 0.00 0.00 56.10 55.15 3n8f s TRP 220 Cb -0.10 -0.38 0.07 0.00 -1.15 0.00 0.00 33.47 31.91 3n8f s TRP 220 CO 0.02 -0.39 0.19 0.16 0.02 0.00 0.00 176.95 176.96 3n8f s ASP 221 N -2.92 1.19 -1.38 2.95 -4.77 -1.11 -4.91 116.67 105.73 3n8f s ASP 221 Ca 0.07 -0.02 -0.06 0.00 -3.30 0.00 0.00 52.55 49.24 3n8f s ASP 221 Cb 0.08 0.32 0.03 0.00 -1.09 0.00 0.00 42.92 42.26 3n8f s ASP 221 CO -0.10 -0.30 0.43 1.41 0.70 0.00 0.00 175.17 177.31 3n8f n HIS 222 N 5.32 -1.76 0.00 2.11 8.25 -1.26 -0.89 115.22 126.99 3n8f n HIS 222 Ca -0.05 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 3n8f n HIS 222 Cb 0.50 -3.55 0.00 0.00 1.12 0.00 0.00 29.99 28.06 3n8f n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3n8f n GLY 223 N -1.24 2.50 3.95 -1.41 0.00 -1.26 -5.03 105.19 102.71 3n8f n GLY 223 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 3n8f n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n8f s LEU 224 N 0.00 2.87 0.37 0.99 1.43 -0.07 -5.09 118.68 119.18 3n8f s LEU 224 Ca 0.00 0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 3n8f s LEU 224 Cb 0.00 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 3n8f s LEU 224 CO 0.00 -1.96 0.40 0.00 0.23 0.00 0.00 176.35 175.02 3n8f s ALA 225 N -3.35 4.11 0.22 4.21 0.00 -1.26 -2.75 121.76 122.93 3n8f s ALA 225 Ca 0.66 -1.69 0.07 0.00 0.00 0.00 0.00 51.96 51.00 3n8f s ALA 225 Cb -0.07 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 3n8f s ALA 225 CO 0.46 -0.12 -0.12 0.71 0.00 0.00 0.00 175.76 176.69 3n8f s TYR 226 N -2.34 1.75 0.77 0.00 2.02 -1.26 -4.82 117.35 113.47 3n8f s TYR 226 Ca 0.46 -0.60 -0.13 0.00 -0.37 0.00 0.00 57.07 56.43 3n8f s TYR 226 Cb -0.06 -0.86 0.06 0.00 -0.40 0.00 0.00 41.96 40.70 3n8f s TYR 226 CO 0.29 0.34 1.16 -2.14 -1.57 0.00 0.00 175.55 173.63 3n8f s PRO 227 N -3.66 2.00 0.46 -1.71 0.02 -1.26 -1.67 135.00 129.18 3n8f s PRO 227 Ca 0.24 1.58 -0.21 0.00 0.02 0.00 0.00 61.00 62.63 3n8f s PRO 227 Cb 0.00 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.60 3n8f s PRO 227 CO 0.08 -1.90 1.02 -2.14 -0.33 0.00 0.00 177.00 173.73 3n8f s PRO 228 N -4.23 3.93 0.37 5.54 0.02 -1.26 -3.91 135.00 135.46 3n8f s PRO 228 Ca 0.70 1.33 -0.28 0.00 0.02 0.00 0.00 61.00 62.77 3n8f s PRO 228 Cb -0.25 -2.17 -0.10 0.00 0.02 0.00 0.00 34.50 32.00 3n8f s PRO 228 CO 0.49 -0.31 1.37 -0.06 -0.33 0.00 0.00 177.00 178.15 3n8f s PHE 229 N -1.98 2.83 -0.72 6.54 0.08 -1.26 -0.47 117.98 123.00 3n8f s PHE 229 Ca 0.65 1.33 -0.20 0.00 0.12 0.00 0.00 56.93 58.83 3n8f s PHE 229 Cb -0.16 -3.79 0.11 0.00 -0.57 0.00 0.00 43.02 38.61 3n8f s PHE 229 CO 0.19 -2.31 0.91 1.21 -0.10 0.00 0.00 175.22 175.12 3n8f s ASN 230 N -0.44 6.34 -1.32 1.36 3.84 -0.02 -4.69 114.94 120.00 3n8f s ASN 230 Ca 0.52 -1.53 -0.16 0.00 0.21 0.00 0.00 52.86 51.90 3n8f s ASN 230 Cb -0.42 -2.36 0.08 0.00 -0.55 0.00 0.00 41.25 38.01 3n8f s ASN 230 CO 0.55 -1.18 1.82 0.59 -2.79 0.00 0.00 177.10 176.10 3n8f n ASN 231 N 6.70 4.74 -0.12 -4.21 3.02 -1.26 -4.43 115.26 119.69 3n8f n ASN 231 Ca 0.03 -2.92 -0.26 0.00 -0.03 0.00 0.00 54.58 51.40 3n8f n ASN 231 Cb 0.45 -1.69 -0.11 0.00 -0.61 0.00 0.00 39.78 37.83 3n8f n ASN 231 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 3n8f n VAL 232 N 5.64 1.54 -2.22 2.41 3.14 -1.26 -5.11 118.33 122.48 3n8f n VAL 232 Ca 0.47 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 3n8f n VAL 232 Cb 0.43 -1.85 0.00 0.00 -1.06 0.00 0.00 33.84 31.36 3n8f n VAL 232 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3n8f n LYS 233 N -4.12 -3.70 -2.91 1.45 5.02 -1.26 -4.87 118.16 107.76 3n8f n LYS 233 Ca -0.47 2.67 -0.40 0.00 -2.02 0.00 0.00 58.31 58.09 3n8f n LYS 233 Cb 0.86 -3.44 -0.04 0.00 -0.02 0.00 0.00 35.03 32.39 3n8f n LYS 233 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3n8f s PRO 234 N -0.42 4.52 -0.00 1.97 0.04 -1.26 -5.17 135.00 134.68 3n8f s PRO 234 Ca 0.00 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.12 3n8f s PRO 234 Cb 0.00 -3.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 3n8f s PRO 234 CO 0.00 0.17 0.24 -1.54 0.04 0.00 0.00 177.00 175.91 3n8f s SER 235 N 0.33 6.46 0.48 6.66 1.04 -1.26 -5.00 113.70 122.40 3n8f s SER 235 Ca 0.42 0.51 0.21 0.00 0.48 0.00 0.00 55.95 57.56 3n8f s SER 235 Cb -0.20 -2.07 1.20 0.00 0.10 0.00 0.00 66.02 65.05 3n8f s SER 235 CO 0.24 0.26 2.01 1.55 0.98 0.00 0.00 173.24 178.28 3n8f h PRO 236 N 3.99 0.00 0.11 4.02 0.13 -1.96 -3.17 132.00 135.12 3n8f h PRO 236 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3n8f h PRO 236 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3n8f h PRO 236 CO 0.66 0.17 -0.05 0.00 -0.23 0.00 0.00 178.00 178.55 3n8f h GLU 238 N -0.54 0.60 0.00 0.00 5.08 -1.52 -3.01 114.58 115.19 3n8f h GLU 238 Ca -0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3n8f h GLU 238 Cb 0.44 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3n8f h GLU 238 CO 0.02 0.40 -0.09 0.35 -1.00 0.00 0.00 179.01 178.69 3n8f h PHE 239 N 0.62 0.00 -0.00 4.33 3.57 -1.52 -2.34 116.94 121.59 3n8f h PHE 239 Ca 0.49 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.99 3n8f h PHE 239 Cb 0.93 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.67 3n8f h PHE 239 CO -0.00 0.09 -0.10 0.44 -2.23 0.00 0.00 178.31 176.51 3n8f n ILE 240 N -3.21 0.00 -3.11 1.41 -5.35 -1.14 -4.46 119.36 103.50 3n8f n ILE 240 Ca 0.01 -0.04 0.04 0.00 -0.27 0.00 0.00 62.75 62.49 3n8f n ILE 240 Cb 0.37 -0.20 -0.00 0.00 -1.74 0.00 0.00 39.64 38.07 3n8f n ILE 240 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3n8f s ASN 241 N -2.55 -0.90 0.13 7.28 3.84 -0.92 -5.05 114.94 116.76 3n8f s ASN 241 Ca 0.27 -0.02 0.26 0.00 0.21 0.00 0.00 52.86 53.59 3n8f s ASN 241 Cb 0.20 1.47 0.76 0.00 -0.55 0.00 0.00 41.25 43.13 3n8f s ASN 241 CO 0.48 -0.15 1.67 0.35 -2.79 0.00 0.00 177.10 176.66 3n8f n THR 242 N 4.96 0.36 -0.02 -5.21 -2.24 -0.95 -3.36 114.28 107.81 3n8f n THR 242 Ca 0.08 -0.20 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 3n8f n THR 242 Cb 0.57 -0.38 0.07 0.00 -2.10 0.00 0.00 70.33 68.49 3n8f n THR 242 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3n8f h THR 243 N 0.00 1.30 0.00 4.28 2.02 -1.97 -3.26 112.91 115.28 3n8f h THR 243 Ca 0.00 -1.63 -0.08 0.00 0.77 0.00 0.00 66.41 65.47 3n8f h THR 243 Cb 0.67 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 3n8f h THR 243 CO 0.00 0.52 -0.40 0.00 0.37 0.00 0.00 175.52 176.01 3n8f h ALA 244 N 1.01 0.93 -6.52 6.16 0.00 -1.91 -3.47 119.26 115.46 3n8f h ALA 244 Ca 0.03 -0.36 -0.50 0.00 0.00 0.00 0.00 54.91 54.08 3n8f h ALA 244 Cb 0.97 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3n8f h ALA 244 CO 0.09 0.50 -0.90 0.72 0.00 0.00 0.00 179.25 179.65 3n8f n HIS 245 N -3.46 -1.64 -3.90 0.00 8.25 -1.23 -4.98 115.22 108.26 3n8f n HIS 245 Ca 0.00 0.68 -0.35 0.00 -0.26 0.00 0.00 57.72 57.79 3n8f n HIS 245 Cb 0.55 -3.62 -0.13 0.00 1.12 0.00 0.00 29.99 27.91 3n8f n HIS 245 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3n8f s VAL 246 N -3.92 2.96 0.90 1.59 1.01 -1.26 -5.06 120.40 116.61 3n8f s VAL 246 Ca 0.07 -1.60 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 3n8f s VAL 246 Cb -0.03 -2.81 0.19 0.00 0.00 0.00 0.00 36.38 33.73 3n8f s VAL 246 CO 0.90 -0.26 1.23 -2.16 0.00 0.00 0.00 175.10 174.81 3n8f s PRO 247 N 1.20 0.87 0.78 2.72 0.04 -1.26 -3.22 135.00 136.13 3n8f s PRO 247 Ca -0.01 -0.67 -0.11 0.00 0.04 0.00 0.00 61.00 60.25 3n8f s PRO 247 Cb -0.20 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.41 3n8f s PRO 247 CO -0.02 -2.18 1.09 0.00 0.04 0.00 0.00 177.00 175.93 3n8f s PHE 249 N -2.97 3.53 -0.52 0.00 0.08 -1.26 -0.84 117.98 115.99 3n8f s PHE 249 Ca 0.61 1.43 -0.15 0.00 0.12 0.00 0.00 56.93 58.94 3n8f s PHE 249 Cb -0.16 -2.67 0.12 0.00 -0.57 0.00 0.00 43.02 39.73 3n8f s PHE 249 CO 0.56 0.18 0.46 -1.14 -0.10 0.00 0.00 175.22 175.18 3n8f s GLN 250 N -2.45 2.93 0.37 0.44 0.74 0.38 -4.64 119.66 117.43 3n8f s GLN 250 Ca 0.50 -1.66 0.07 0.00 0.05 0.00 0.00 55.36 54.32 3n8f s GLN 250 Cb -0.14 -4.23 -0.07 0.00 1.10 0.00 0.00 33.01 29.67 3n8f s GLN 250 CO 0.19 -1.26 0.00 0.00 -0.55 0.00 0.00 175.29 173.67 3n8f s ALA 251 N 1.58 2.91 -1.45 1.58 0.00 -1.26 -4.36 121.76 120.76 3n8f s ALA 251 Ca 0.03 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 49.79 3n8f s ALA 251 Cb -0.29 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3n8f s ALA 251 CO 0.03 -0.13 0.30 0.41 0.00 0.00 0.00 175.76 176.37 3n8f n GLY 252 N -0.86 0.15 2.91 0.00 0.00 -0.40 -4.56 105.19 102.43 3n8f n GLY 252 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 3n8f n GLY 252 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n8f s ASP 253 N -1.04 0.10 0.23 1.61 2.15 -1.12 -3.84 116.67 114.76 3n8f s ASP 253 Ca 0.00 -0.17 -0.05 0.00 0.43 0.00 0.00 52.55 52.76 3n8f s ASP 253 Cb 0.00 0.03 0.23 0.00 -0.30 0.00 0.00 42.92 42.88 3n8f s ASP 253 CO 0.00 -0.10 1.76 0.28 -0.17 0.00 0.00 175.17 176.94 3n8f h SER 254 N 5.65 0.96 -0.27 -0.34 0.02 -1.95 -3.22 113.55 114.41 3n8f h SER 254 Ca -0.27 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3n8f h SER 254 Cb 1.21 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3n8f h SER 254 CO 0.48 0.93 0.00 0.54 -1.14 0.00 0.00 176.83 177.64 3n8f n ARG 255 N -4.24 2.51 0.28 3.45 1.74 -1.26 -4.44 116.66 114.69 3n8f n ARG 255 Ca 0.05 -1.34 0.16 0.00 -0.77 0.00 0.00 57.85 55.95 3n8f n ARG 255 Cb 0.25 -1.71 0.76 0.00 -1.02 0.00 0.00 32.46 30.74 3n8f n ARG 255 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n8f h ALA 256 N 3.04 1.07 -0.05 7.54 0.00 -1.91 -3.09 119.26 125.86 3n8f h ALA 256 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3n8f h ALA 256 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3n8f h ALA 256 CO 0.17 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.37 3n8f n SER 257 N -3.26 2.44 0.29 0.00 3.41 -1.26 -2.49 113.62 112.75 3n8f n SER 257 Ca -0.01 -2.69 0.16 0.00 -0.26 0.00 0.00 58.87 56.07 3n8f n SER 257 Cb 0.27 -0.30 0.95 0.00 -0.26 0.00 0.00 64.21 64.86 3n8f n SER 257 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3n8f h GLU 258 N 0.30 0.00 -3.94 4.33 4.22 -1.88 -3.23 114.58 114.38 3n8f h GLU 258 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 3n8f h GLU 258 Cb 0.88 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.99 3n8f h GLU 258 CO 0.02 0.00 -0.42 -1.14 -2.18 0.00 0.00 179.01 175.29 3n8f s GLN 259 N -4.57 0.91 0.08 1.92 0.74 -1.26 -1.47 119.66 116.01 3n8f s GLN 259 Ca -0.05 -1.09 -0.19 0.00 0.05 0.00 0.00 55.36 54.08 3n8f s GLN 259 Cb 0.15 0.33 -0.09 0.00 1.10 0.00 0.00 33.01 34.50 3n8f s GLN 259 CO 0.53 -0.29 1.54 0.82 -0.55 0.00 0.00 175.29 177.34 3n8f h ILE 260 N 2.76 1.24 0.00 -2.34 2.04 -1.75 -3.05 117.51 116.41 3n8f h ILE 260 Ca -0.33 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 3n8f h ILE 260 Cb 1.20 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 3n8f h ILE 260 CO 0.56 0.26 -0.32 -0.07 0.00 0.00 0.00 178.15 178.57 3n8f h LEU 261 N 0.19 0.00 -0.17 1.44 3.38 -1.93 -0.93 115.31 117.28 3n8f h LEU 261 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3n8f h LEU 261 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3n8f h LEU 261 CO 0.01 0.32 -0.14 0.25 0.09 0.00 0.00 178.44 178.97 3n8f h LEU 262 N 0.00 0.43 -1.65 1.67 5.85 -1.86 -2.79 115.31 116.96 3n8f h LEU 262 Ca -0.00 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3n8f h LEU 262 Cb 0.83 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3n8f h LEU 262 CO 0.04 0.79 -0.18 0.00 -0.34 0.00 0.00 178.44 178.75 3n8f h ALA 263 N 0.64 1.65 -0.16 1.25 0.00 -1.19 -2.49 119.26 118.96 3n8f h ALA 263 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3n8f h ALA 263 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3n8f h ALA 263 CO 0.04 0.23 0.05 1.15 0.00 0.00 0.00 179.25 180.72 3n8f h THR 264 N 0.00 1.19 0.00 0.00 2.02 -1.01 -1.89 112.91 113.21 3n8f h THR 264 Ca -0.00 -0.58 -0.08 0.00 0.77 0.00 0.00 66.41 66.53 3n8f h THR 264 Cb 0.33 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3n8f h THR 264 CO 0.02 0.18 -0.36 0.58 0.37 0.00 0.00 175.52 176.31 3n8f h VAL 265 N 0.08 0.76 -0.59 3.16 2.07 -1.42 -2.69 116.25 117.63 3n8f h VAL 265 Ca 0.05 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 3n8f h VAL 265 Cb 0.23 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 3n8f h VAL 265 CO -0.00 0.36 0.32 0.45 0.02 0.00 0.00 177.57 178.71 3n8f h HIS 266 N 0.00 0.81 -0.64 1.57 3.86 -1.26 -1.97 115.15 117.52 3n8f h HIS 266 Ca -0.00 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.11 3n8f h HIS 266 Cb 1.00 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.19 3n8f h HIS 266 CO 0.00 0.59 0.13 1.15 0.86 0.00 0.00 177.93 180.66 3n8f h THR 267 N 0.80 1.26 -0.49 2.45 2.02 -1.15 -0.33 112.91 117.46 3n8f h THR 267 Ca 0.21 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 66.42 3n8f h THR 267 Cb 0.05 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3n8f h THR 267 CO -0.03 0.37 0.31 -0.07 0.37 0.00 0.00 175.52 176.47 3n8f h LEU 268 N 0.97 0.52 -0.64 2.58 3.38 -1.35 0.95 115.31 121.72 3n8f h LEU 268 Ca 0.20 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3n8f h LEU 268 Cb 0.40 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3n8f h LEU 268 CO 0.01 0.38 -0.30 -0.07 0.09 0.00 0.00 178.44 178.54 3n8f h LEU 269 N 0.63 0.76 -0.26 1.67 3.38 -1.16 -1.08 115.31 119.26 3n8f h LEU 269 Ca 0.19 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3n8f h LEU 269 Cb -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3n8f h LEU 269 CO -0.06 1.01 0.02 0.25 0.09 0.00 0.00 178.44 179.76 3n8f h LEU 270 N 0.62 0.42 0.07 1.67 5.85 -0.83 -2.99 115.31 120.12 3n8f h LEU 270 Ca 0.07 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.52 3n8f h LEU 270 Cb 0.82 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3n8f h LEU 270 CO 0.07 0.60 -0.12 0.03 -0.34 0.00 0.00 178.44 178.68 3n8f h ARG 271 N 0.23 -0.23 -0.94 1.25 3.08 -0.74 -2.83 114.38 114.20 3n8f h ARG 271 Ca 0.08 0.02 0.28 0.00 0.07 0.00 0.00 59.98 60.43 3n8f h ARG 271 Cb 0.37 0.05 -0.16 0.00 0.08 0.00 0.00 29.97 30.31 3n8f h ARG 271 CO 0.01 -0.15 0.29 1.49 -1.07 0.00 0.00 179.97 180.53 3n8f h GLU 272 N -0.24 0.15 0.51 0.04 4.57 -1.17 -1.17 114.58 117.27 3n8f h GLU 272 Ca 0.02 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3n8f h GLU 272 Cb 0.25 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3n8f h GLU 272 CO -0.07 0.10 -0.32 1.25 -1.18 0.00 0.00 179.01 178.79 3n8f h HIS 273 N 0.15 -0.85 -0.77 0.92 2.76 -1.35 -2.62 115.15 113.40 3n8f h HIS 273 Ca 0.64 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.93 3n8f h HIS 273 Cb 1.40 0.30 -0.09 0.00 1.55 0.00 0.00 27.41 30.57 3n8f h HIS 273 CO -0.24 -0.49 0.34 -0.91 -1.30 0.00 0.00 177.93 175.33 3n8f h ASN 274 N -0.79 0.36 0.14 3.26 2.35 -1.21 -0.84 115.58 118.84 3n8f h ASN 274 Ca -0.06 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3n8f h ASN 274 Cb 0.65 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.04 3n8f h ASN 274 CO 0.05 0.15 -0.31 -0.09 -1.65 0.00 0.00 177.43 175.58 3n8f h ARG 275 N 0.50 -0.52 -0.80 0.81 2.43 -1.32 0.56 114.38 116.04 3n8f h ARG 275 Ca 0.42 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.71 3n8f h ARG 275 Cb 0.60 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 3n8f h ARG 275 CO -0.38 -0.35 0.52 -0.07 -1.51 0.00 0.00 179.97 178.18 3n8f h LEU 276 N -0.54 0.69 -0.16 3.80 3.38 -0.99 0.28 115.31 121.76 3n8f h LEU 276 Ca 0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3n8f h LEU 276 Cb 0.56 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3n8f h LEU 276 CO -0.17 0.42 -0.04 0.00 0.09 0.00 0.00 178.44 178.74 3n8f h ALA 277 N 1.59 0.22 -0.73 1.53 0.00 -0.53 0.51 119.26 121.85 3n8f h ALA 277 Ca 0.36 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3n8f h ALA 277 Cb 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3n8f h ALA 277 CO -0.14 -0.02 0.29 0.00 0.00 0.00 0.00 179.25 179.38 3n8f h ARG 278 N 0.01 1.09 -0.03 0.00 3.08 -0.28 -2.28 114.38 115.97 3n8f h ARG 278 Ca 0.04 -0.20 -0.21 0.00 0.07 0.00 0.00 59.98 59.68 3n8f h ARG 278 Cb 0.48 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3n8f h ARG 278 CO 0.02 0.90 -0.86 0.93 -1.07 0.00 0.00 179.97 179.88 3n8f h GLU 279 N 1.04 0.38 0.00 0.04 4.39 -0.37 -2.87 114.58 117.19 3n8f h GLU 279 Ca 0.24 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 3n8f h GLU 279 Cb 0.22 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3n8f h GLU 279 CO -0.02 1.04 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.62 3n8f h LEU 280 N 0.23 0.00 -0.10 1.33 3.38 0.04 -3.03 115.31 117.16 3n8f h LEU 280 Ca -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3n8f h LEU 280 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3n8f h LEU 280 CO 0.15 0.18 -0.22 0.50 0.09 0.00 0.00 178.44 179.14 3n8f h LYS 281 N 0.00 0.32 -0.28 1.13 3.64 -1.36 -2.32 116.57 117.70 3n8f h LYS 281 Ca -0.00 -0.21 0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3n8f h LYS 281 Cb 0.86 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.63 3n8f h LYS 281 CO 0.02 0.81 -0.28 0.00 -2.27 0.00 0.00 179.45 177.74 3n8f h ARG 282 N -0.13 -0.26 0.00 1.90 3.08 -1.40 -0.73 114.38 116.84 3n8f h ARG 282 Ca 0.00 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3n8f h ARG 282 Cb 0.81 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3n8f h ARG 282 CO 0.05 -0.18 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.44 3n8f h LEU 283 N -0.27 0.00 -6.51 3.04 3.38 -1.63 -3.35 115.31 109.96 3n8f h LEU 283 Ca 0.14 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.52 3n8f h LEU 283 Cb 0.50 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.85 3n8f h LEU 283 CO -0.43 0.26 -0.81 0.59 0.09 0.00 0.00 178.44 178.14 3n8f n ASN 284 N -3.64 1.38 -0.30 -0.43 3.02 -0.54 -4.49 115.26 110.26 3n8f n ASN 284 Ca -0.01 -2.85 0.02 0.00 -0.03 0.00 0.00 54.58 51.71 3n8f n ASN 284 Cb 0.39 -0.65 0.22 0.00 -0.61 0.00 0.00 39.78 39.12 3n8f n ASN 284 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3n8f h PRO 285 N 5.08 1.06 0.00 3.52 0.11 -1.32 -2.79 132.00 137.65 3n8f h PRO 285 Ca 0.19 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 3n8f h PRO 285 Cb 0.82 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 3n8f h PRO 285 CO 0.57 0.70 -0.15 1.12 -0.21 0.00 0.00 178.00 180.02 3n8f h HIS 286 N 1.09 0.00 -3.04 0.65 2.07 -1.94 -3.45 115.15 110.52 3n8f h HIS 286 Ca 0.36 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 57.30 3n8f h HIS 286 Cb 0.07 0.00 0.14 0.00 2.57 0.00 0.00 27.41 30.18 3n8f h HIS 286 CO -0.00 0.15 0.10 0.91 -3.07 0.00 0.00 177.93 176.02 3n8f n TRP 287 N -4.12 0.95 -3.96 6.12 7.02 -1.05 -5.02 117.44 117.38 3n8f n TRP 287 Ca -0.02 0.55 -0.22 0.00 -1.02 0.00 0.00 57.50 56.79 3n8f n TRP 287 Cb 0.23 -2.19 -0.04 0.00 -2.42 0.00 0.00 31.31 26.89 3n8f n TRP 287 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 3n8f s ASP 288 N -0.82 5.27 0.19 -0.99 -4.77 -1.26 -4.96 116.67 109.33 3n8f s ASP 288 Ca 0.65 -0.45 -0.11 0.00 -3.30 0.00 0.00 52.55 49.34 3n8f s ASP 288 Cb -0.54 -1.08 0.24 0.00 -1.09 0.00 0.00 42.92 40.44 3n8f s ASP 288 CO 0.56 -0.23 1.20 0.61 0.70 0.00 0.00 175.17 178.01 3n8f n GLY 289 N -1.27 -1.49 0.08 2.12 0.00 -1.17 -1.45 105.19 102.00 3n8f n GLY 289 Ca -0.04 0.85 -0.10 0.00 0.00 0.00 0.00 46.02 46.73 3n8f n GLY 289 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3n8f h GLU 290 N 0.00 0.07 0.00 1.61 4.57 -1.96 -2.58 114.58 116.28 3n8f h GLU 290 Ca 0.30 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.42 3n8f h GLU 290 Cb 0.49 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3n8f h GLU 290 CO -0.78 0.05 -0.29 1.98 -1.18 0.00 0.00 179.01 178.79 3n8f h MET 291 N 0.07 0.00 0.55 1.92 4.05 -1.66 -1.77 114.93 118.09 3n8f h MET 291 Ca 0.05 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 3n8f h MET 291 Cb 0.04 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.84 3n8f h MET 291 CO -0.06 0.29 -0.27 -0.07 0.23 0.00 0.00 176.91 177.04 3n8f h LEU 292 N 0.00 -0.63 -0.75 3.39 3.38 -1.24 -0.66 115.31 118.80 3n8f h LEU 292 Ca -0.00 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.08 3n8f h LEU 292 Cb 0.63 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.44 3n8f h LEU 292 CO 0.04 -0.31 0.20 0.22 0.09 0.00 0.00 178.44 178.68 3n8f h TYR 293 N -0.96 0.32 0.09 1.13 3.20 -1.37 -2.25 116.97 117.13 3n8f h TYR 293 Ca -0.08 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 3n8f h TYR 293 Cb 0.64 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.88 3n8f h TYR 293 CO -0.00 -0.07 -0.04 1.96 -1.64 0.00 0.00 178.16 178.37 3n8f h GLN 294 N 0.30 -0.11 -0.53 1.82 1.08 -1.26 -1.74 115.11 114.67 3n8f h GLN 294 Ca 0.42 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.56 3n8f h GLN 294 Cb 0.72 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.15 3n8f h GLN 294 CO -0.50 0.26 0.05 0.93 -0.95 0.00 0.00 178.83 178.62 3n8f h GLU 295 N -0.50 0.86 0.02 1.46 4.39 -1.01 -2.08 114.58 117.72 3n8f h GLU 295 Ca -0.01 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 3n8f h GLU 295 Cb 0.42 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3n8f h GLU 295 CO 0.02 0.82 -0.01 0.00 -1.16 0.00 0.00 179.01 178.68 3n8f h ALA 296 N 1.25 -0.03 -0.63 3.43 0.00 -1.45 -2.95 119.26 118.88 3n8f h ALA 296 Ca 0.16 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3n8f h ALA 296 Cb 0.41 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 3n8f h ALA 296 CO 0.01 -0.36 -0.42 -0.09 0.00 0.00 0.00 179.25 178.39 3n8f h ARG 297 N -0.33 -0.18 -0.91 0.00 2.43 -1.15 -1.43 114.38 112.80 3n8f h ARG 297 Ca -0.00 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.33 3n8f h ARG 297 Cb 0.32 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 29.81 3n8f h ARG 297 CO 0.00 -0.12 0.51 -0.22 -1.51 0.00 0.00 179.97 178.63 3n8f h LYS 298 N -0.19 0.69 -0.12 0.20 3.64 -1.36 -0.83 116.57 118.61 3n8f h LYS 298 Ca 0.20 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.39 3n8f h LYS 298 Cb 0.56 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3n8f h LYS 298 CO -0.72 0.45 -0.57 0.82 -2.27 0.00 0.00 179.45 177.16 3n8f h ILE 299 N 0.71 1.35 -0.34 2.00 2.04 -1.11 -0.95 117.51 121.21 3n8f h ILE 299 Ca 0.50 -1.87 -0.18 0.00 1.00 0.00 0.00 64.86 64.31 3n8f h ILE 299 Cb 0.70 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 3n8f h ILE 299 CO -0.36 0.56 -0.47 0.25 0.00 0.00 0.00 178.15 178.14 3n8f h LEU 300 N 0.27 1.00 -0.64 1.44 5.85 -0.47 0.24 115.31 123.00 3n8f h LEU 300 Ca 0.00 -0.50 -0.11 0.00 0.84 0.00 0.00 57.88 58.11 3n8f h LEU 300 Cb 1.08 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3n8f h LEU 300 CO 0.10 1.30 -0.12 1.23 -0.34 0.00 0.00 178.44 180.61 3n8f h GLY 301 N 0.72 1.02 1.22 3.75 0.00 -1.14 -0.62 103.07 108.02 3n8f h GLY 301 Ca 0.04 -0.81 -0.06 0.00 0.00 0.00 0.00 47.33 46.49 3n8f h GLY 301 CO 0.11 0.74 0.12 0.00 0.00 0.00 0.00 176.54 177.51 3n8f h ALA 302 N 1.02 1.07 0.12 3.60 0.00 -1.09 -1.16 119.26 122.82 3n8f h ALA 302 Ca 0.13 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3n8f h ALA 302 Cb 0.66 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3n8f h ALA 302 CO 0.05 0.61 -0.25 0.35 0.00 0.00 0.00 179.25 180.01 3n8f h PHE 303 N 0.92 -0.66 0.47 0.00 3.57 -0.11 -1.15 116.94 119.99 3n8f h PHE 303 Ca 0.19 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3n8f h PHE 303 Cb 0.37 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3n8f h PHE 303 CO 0.02 -0.35 -0.34 0.82 -2.23 0.00 0.00 178.31 176.24 3n8f h ILE 304 N -0.45 0.31 -0.84 1.41 2.04 -1.01 -2.43 117.51 116.54 3n8f h ILE 304 Ca 0.03 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.10 3n8f h ILE 304 Cb 0.47 0.31 -0.14 0.00 -0.74 0.00 0.00 36.82 36.72 3n8f h ILE 304 CO -0.14 0.00 0.07 1.56 0.00 0.00 0.00 178.15 179.64 3n8f h GLN 305 N -0.79 0.11 0.63 2.37 4.20 -1.10 -0.81 115.11 119.72 3n8f h GLN 305 Ca -0.05 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3n8f h GLN 305 Cb 0.67 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.43 3n8f h GLN 305 CO 0.02 0.08 -0.30 0.82 -0.67 0.00 0.00 178.83 178.77 3n8f h ILE 306 N 0.12 0.28 -0.93 2.54 2.04 -0.87 -2.65 117.51 118.03 3n8f h ILE 306 Ca 0.49 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 66.12 3n8f h ILE 306 Cb 0.92 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3n8f h ILE 306 CO -0.71 0.03 0.62 0.40 0.00 0.00 0.00 178.15 178.48 3n8f h ILE 307 N -1.03 1.24 -0.40 -0.67 2.04 -0.97 0.28 117.51 118.00 3n8f h ILE 307 Ca -0.09 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 3n8f h ILE 307 Cb 0.69 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3n8f h ILE 307 CO 0.14 0.23 0.07 0.74 0.00 0.00 0.00 178.15 179.33 3n8f h THR 308 N 1.26 1.19 0.01 -0.27 2.02 -1.15 0.12 112.91 116.10 3n8f h THR 308 Ca 0.34 -0.71 -0.35 0.00 0.77 0.00 0.00 66.41 66.47 3n8f h THR 308 Cb -0.14 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 3n8f h THR 308 CO -0.08 0.25 -2.14 0.49 0.37 0.00 0.00 175.52 174.41 3n8f n PHE 309 N -4.30 0.44 -0.02 3.16 3.01 -1.00 -1.91 117.46 116.84 3n8f n PHE 309 Ca 0.02 0.14 -0.19 0.00 1.01 0.00 0.00 57.45 58.43 3n8f n PHE 309 Cb 0.21 -1.08 -0.13 0.00 -0.01 0.00 0.00 39.48 38.47 3n8f n PHE 309 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3n8f h ARG 310 N 0.01 0.16 0.00 -1.08 2.43 -0.94 -3.40 114.38 111.55 3n8f h ARG 310 Ca -0.46 -0.27 -0.22 0.00 -0.81 0.00 0.00 59.98 58.23 3n8f h ARG 310 Cb 2.11 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 31.72 3n8f h ARG 310 CO 0.04 1.13 -2.06 -0.25 -1.51 0.00 0.00 179.97 177.31 3n8f n ASP 311 N -4.23 0.86 -0.07 -3.80 8.00 0.34 -4.69 116.55 112.95 3n8f n ASP 311 Ca -0.20 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.24 3n8f n ASP 311 Cb 0.74 1.17 -0.02 0.00 -0.02 0.00 0.00 41.12 42.99 3n8f n ASP 311 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n8f n TYR 312 N -2.48 0.49 -0.32 1.24 9.36 -0.70 -4.54 117.16 120.21 3n8f n TYR 312 Ca -0.21 0.21 -0.01 0.00 3.32 0.00 0.00 57.90 61.22 3n8f n TYR 312 Cb 0.88 -0.62 0.12 0.00 -0.63 0.00 0.00 39.34 39.10 3n8f n TYR 312 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3n8f h LEU 313 N -0.92 0.92 -2.33 2.98 3.38 -1.61 -2.01 115.31 115.72 3n8f h LEU 313 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3n8f h LEU 313 Cb 0.66 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3n8f h LEU 313 CO 0.00 0.63 -0.04 -0.65 0.09 0.00 0.00 178.44 178.47 3n8f h PRO 314 N 1.08 0.00 -0.25 1.13 0.11 -1.84 0.24 132.00 132.46 3n8f h PRO 314 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3n8f h PRO 314 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 3n8f h PRO 314 CO -0.13 0.04 0.00 0.44 -0.21 0.00 0.00 178.00 178.14 3n8f n ILE 315 N -3.36 0.31 -0.12 4.15 -5.35 -0.78 -2.13 119.36 112.08 3n8f n ILE 315 Ca -0.02 -0.61 -0.25 0.00 -0.27 0.00 0.00 62.75 61.60 3n8f n ILE 315 Cb 0.16 1.02 -0.08 0.00 -1.74 0.00 0.00 39.64 38.99 3n8f n ILE 315 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3n8f n VAL 316 N 1.25 1.28 0.12 7.28 0.31 -0.47 -4.23 118.33 123.88 3n8f n VAL 316 Ca 0.18 -0.33 -0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3n8f n VAL 316 Cb 0.56 -1.81 0.04 0.00 -0.91 0.00 0.00 33.84 31.73 3n8f n VAL 316 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3n8f h LEU 317 N -0.82 0.00 0.00 7.52 3.38 -0.75 0.54 115.31 125.18 3n8f h LEU 317 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3n8f h LEU 317 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 3n8f h LEU 317 CO -0.35 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.44 3n8f n GLY 318 N 1.01 2.47 0.00 0.83 0.00 -0.90 -2.26 105.19 106.33 3n8f n GLY 318 Ca 0.01 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.81 3n8f n GLY 318 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3n8f n SER 319 N 6.16 0.00 -0.56 1.61 3.41 0.97 -2.13 113.62 123.09 3n8f n SER 319 Ca 0.00 0.43 0.11 0.00 -0.26 0.00 0.00 58.87 59.16 3n8f n SER 319 Cb 0.00 -0.47 0.40 0.00 -0.26 0.00 0.00 64.21 63.88 3n8f n SER 319 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n8f n GLU 320 N -1.47 1.74 0.08 4.33 -0.58 -0.96 -4.40 120.64 119.38 3n8f n GLU 320 Ca 0.05 -1.10 -0.12 0.00 -0.42 0.00 0.00 57.16 55.57 3n8f n GLU 320 Cb 0.21 -1.42 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 3n8f n GLU 320 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3n8f h MET 321 N 2.33 -0.15 0.01 3.49 4.05 -1.55 -3.19 114.93 119.90 3n8f h MET 321 Ca 0.00 0.01 -0.20 0.00 -0.28 0.00 0.00 59.70 59.23 3n8f h MET 321 Cb 0.51 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 3n8f h MET 321 CO 0.00 -0.10 -0.88 -0.56 0.23 0.00 0.00 176.91 175.60 3n8f h GLN 322 N -0.16 0.17 -0.01 0.39 3.07 -1.77 0.07 115.11 116.87 3n8f h GLN 322 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 58.65 58.56 3n8f h GLN 322 Cb 0.15 0.06 -0.00 0.00 0.08 0.00 0.00 27.48 27.77 3n8f h GLN 322 CO -0.02 0.94 0.01 -0.22 0.09 0.00 0.00 178.83 179.64 3n8f h LYS 323 N 0.09 0.00 0.00 0.06 3.64 -1.80 -3.06 116.57 115.50 3n8f h LYS 323 Ca -0.04 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 3n8f h LYS 323 Cb 1.52 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.32 3n8f h LYS 323 CO 0.13 0.00 -1.37 0.91 -2.27 0.00 0.00 179.45 176.85 3n8f n TRP 324 N -4.21 0.00 -3.84 1.91 7.02 -1.21 -4.84 117.44 112.27 3n8f n TRP 324 Ca -0.03 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.14 3n8f n TRP 324 Cb 0.10 -0.26 -0.11 0.00 -2.42 0.00 0.00 31.31 28.62 3n8f n TRP 324 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3n8f s ILE 325 N -2.13 3.24 1.24 -0.99 1.01 0.01 -4.69 121.20 118.88 3n8f s ILE 325 Ca -0.06 -3.86 -0.18 0.00 0.00 0.00 0.00 60.65 56.54 3n8f s ILE 325 Cb 0.02 -3.11 0.30 0.00 0.01 0.00 0.00 42.46 39.68 3n8f s ILE 325 CO 0.18 -0.97 1.03 -2.16 0.00 0.00 0.00 174.94 173.02 3n8f s PRO 326 N -1.05 -1.54 0.68 2.79 0.04 -1.16 -4.22 135.00 130.54 3n8f s PRO 326 Ca 0.23 0.24 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 3n8f s PRO 326 Cb -0.11 -1.53 0.01 0.00 0.04 0.00 0.00 34.50 32.91 3n8f s PRO 326 CO -0.11 -3.99 1.15 -2.14 0.04 0.00 0.00 177.00 171.96 3n8f s PRO 327 N -5.06 2.55 -0.05 0.56 0.02 -1.26 -4.91 135.00 126.85 3n8f s PRO 327 Ca 0.69 1.56 -0.30 0.00 0.02 0.00 0.00 61.00 62.97 3n8f s PRO 327 Cb -0.15 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 3n8f s PRO 327 CO 0.59 -1.48 1.88 -0.47 -0.33 0.00 0.00 177.00 177.19 3n8f s TYR 328 N -2.16 1.54 -1.81 6.54 5.04 -1.26 -4.89 117.35 120.34 3n8f s TYR 328 Ca 0.70 -0.06 0.20 0.00 -2.44 0.00 0.00 57.07 55.47 3n8f s TYR 328 Cb -0.24 -4.09 0.52 0.00 0.35 0.00 0.00 41.96 38.49 3n8f s TYR 328 CO 0.42 -4.66 1.43 1.04 -1.34 0.00 0.00 175.55 172.45 3n8f n GLN 329 N 7.60 2.66 0.00 4.97 1.13 -1.26 -5.08 117.38 127.40 3n8f n GLN 329 Ca 0.20 -2.42 0.00 0.00 -1.94 0.00 0.00 57.00 52.84 3n8f n GLN 329 Cb 0.42 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.29 3n8f n GLN 329 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3n8f n GLY 330 N 1.35 0.89 3.59 1.08 0.00 -1.26 -4.95 105.19 105.89 3n8f n GLY 330 Ca 0.20 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 3n8f n GLY 330 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3n8f s TYR 331 N -2.20 1.81 -0.45 1.61 5.04 -1.26 -4.91 117.35 116.99 3n8f s TYR 331 Ca 0.00 0.65 -0.18 0.00 -2.44 0.00 0.00 57.07 55.10 3n8f s TYR 331 Cb 0.00 -4.13 0.04 0.00 0.35 0.00 0.00 41.96 38.22 3n8f s TYR 331 CO 0.00 -2.84 0.52 1.21 -1.34 0.00 0.00 175.55 173.10 3n8f s ASN 332 N 6.24 6.22 0.45 4.32 3.84 -0.77 -4.96 114.94 130.28 3n8f s ASN 332 Ca 0.78 -0.76 0.29 0.00 0.21 0.00 0.00 52.86 53.38 3n8f s ASN 332 Cb -0.21 -2.25 1.03 0.00 -0.55 0.00 0.00 41.25 39.27 3n8f s ASN 332 CO 0.32 -0.71 1.84 -0.55 -2.79 0.00 0.00 177.10 175.21 3n8f h ASN 333 N 8.83 0.00 0.63 -4.21 -1.07 -1.94 -2.94 115.58 114.89 3n8f h ASN 333 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.10 3n8f h ASN 333 Cb 1.10 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.35 3n8f h ASN 333 CO 0.87 0.00 0.00 -1.20 0.07 0.00 0.00 177.43 177.17 3n8f n SER 334 N -2.88 0.00 -4.65 6.14 7.64 -1.26 -4.75 113.62 113.86 3n8f n SER 334 Ca 0.02 0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.61 3n8f n SER 334 Cb 0.35 -0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 3n8f n SER 334 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3n8f s VAL 335 N -2.74 4.37 -0.34 0.44 1.01 -1.11 -4.99 120.40 117.05 3n8f s VAL 335 Ca 0.20 1.62 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 3n8f s VAL 335 Cb 0.17 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3n8f s VAL 335 CO 0.42 -0.31 1.80 -0.62 0.00 0.00 0.00 175.10 176.39 3n8f s ASP 336 N 1.97 5.87 0.00 3.32 2.15 -1.26 -4.60 116.67 124.12 3n8f s ASP 336 Ca 0.51 1.28 0.27 0.00 0.43 0.00 0.00 52.55 55.04 3n8f s ASP 336 Cb -0.17 -2.53 0.98 0.00 -0.30 0.00 0.00 42.92 40.90 3n8f s ASP 336 CO 0.15 -1.73 1.71 -0.81 -0.17 0.00 0.00 175.17 174.32 3n8f n PRO 337 N 8.45 0.71 -1.71 4.34 -0.04 -1.26 -4.81 135.00 140.68 3n8f n PRO 337 Ca 0.23 -0.34 -0.43 0.00 -0.04 0.00 0.00 63.50 62.92 3n8f n PRO 337 Cb 0.47 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 3n8f n PRO 337 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3n8f n ARG 338 N -0.84 2.63 -2.97 0.54 1.74 -1.26 -4.73 116.66 111.77 3n8f n ARG 338 Ca 0.13 0.95 -0.40 0.00 -0.77 0.00 0.00 57.85 57.75 3n8f n ARG 338 Cb 0.31 -2.76 -0.05 0.00 -1.02 0.00 0.00 32.46 28.94 3n8f n ARG 338 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3n8f s ILE 339 N 0.87 4.84 0.90 0.55 -4.36 -1.26 -4.78 121.20 117.97 3n8f s ILE 339 Ca 0.73 1.62 -0.13 0.00 -0.26 0.00 0.00 60.65 62.61 3n8f s ILE 339 Cb -0.54 -4.12 0.14 0.00 1.25 0.00 0.00 42.46 39.20 3n8f s ILE 339 CO 0.37 0.31 1.19 -0.94 0.24 0.00 0.00 174.94 176.11 3n8f s SER 340 N 0.32 3.61 0.01 4.36 1.04 -1.26 -3.15 113.70 118.64 3n8f s SER 340 Ca 0.40 0.72 -0.25 0.00 0.48 0.00 0.00 55.95 57.30 3n8f s SER 340 Cb -0.20 -1.13 -0.16 0.00 0.10 0.00 0.00 66.02 64.63 3n8f s SER 340 CO 0.22 -2.46 1.25 -1.13 0.98 0.00 0.00 173.24 172.10 3n8f h ASN 341 N -1.44 -0.39 -1.10 7.02 -0.73 -1.60 -3.17 115.58 114.16 3n8f h ASN 341 Ca -0.47 -0.15 0.30 0.00 1.87 0.00 0.00 56.30 57.85 3n8f h ASN 341 Cb 1.31 0.10 -0.08 0.00 0.27 0.00 0.00 38.32 39.91 3n8f h ASN 341 CO 0.56 -0.04 0.73 1.62 -0.37 0.00 0.00 177.43 179.94 3n8f h VAL 342 N -0.78 0.46 -0.66 2.57 3.04 -1.96 0.16 116.25 119.09 3n8f h VAL 342 Ca -0.05 -0.09 0.05 0.00 -1.01 0.00 0.00 66.70 65.61 3n8f h VAL 342 Cb 0.51 0.18 -0.05 0.00 -2.01 0.00 0.00 31.29 29.92 3n8f h VAL 342 CO 0.08 0.05 0.38 0.15 -1.01 0.00 0.00 177.57 177.21 3n8f h PHE 343 N 0.26 0.69 0.00 3.17 3.57 -1.90 0.40 116.94 123.13 3n8f h PHE 343 Ca 0.60 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.13 3n8f h PHE 343 Cb 1.81 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.33 3n8f h PHE 343 CO -0.00 0.35 0.00 0.25 -2.23 0.00 0.00 178.31 176.68 3n8f n THR 344 N -4.77 1.33 -0.03 4.41 -2.24 0.57 -1.07 114.28 112.49 3n8f n THR 344 Ca 0.08 0.33 -0.03 0.00 -2.27 0.00 0.00 64.05 62.16 3n8f n THR 344 Cb 0.15 -1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 67.12 3n8f n THR 344 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3n8f n PHE 345 N -1.44 0.00 -0.06 4.78 3.01 -0.42 -4.45 117.46 118.87 3n8f n PHE 345 Ca 0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.40 3n8f n PHE 345 Cb 0.07 -0.28 0.08 0.00 -0.01 0.00 0.00 39.48 39.35 3n8f n PHE 345 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3n8f h ALA 346 N 0.23 0.84 0.00 4.37 0.00 0.18 -2.98 119.26 121.90 3n8f h ALA 346 Ca -0.16 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3n8f h ALA 346 Cb 1.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3n8f h ALA 346 CO 0.00 0.64 0.00 0.35 0.00 0.00 0.00 179.25 180.24 3n8f h PHE 347 N 0.61 0.00 0.00 0.00 3.04 -1.34 -2.97 116.94 116.29 3n8f h PHE 347 Ca 0.07 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.02 3n8f h PHE 347 Cb 0.82 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.33 3n8f h PHE 347 CO 0.04 0.00 0.00 0.54 -2.02 0.00 0.00 178.31 176.87 3n8f n ARG 348 N -2.73 0.46 0.07 1.11 1.74 -1.13 -2.90 116.66 113.28 3n8f n ARG 348 Ca 0.02 0.00 0.20 0.00 -0.77 0.00 0.00 57.85 57.30 3n8f n ARG 348 Cb 0.31 -1.25 0.74 0.00 -1.02 0.00 0.00 32.46 31.24 3n8f n ARG 348 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3n8f h PHE 349 N 0.00 0.00 -0.03 -1.55 -5.15 -1.72 -1.51 116.94 106.98 3n8f h PHE 349 Ca 0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 3n8f h PHE 349 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 3n8f h PHE 349 CO 0.00 0.00 -0.06 0.78 -2.00 0.00 0.00 178.31 177.03 3n8f h GLY 350 N 0.00 0.04 1.34 6.09 0.00 -1.84 -1.97 103.07 106.72 3n8f h GLY 350 Ca 0.20 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.55 3n8f h GLY 350 CO -0.00 0.02 0.30 0.45 0.00 0.00 0.00 176.54 177.30 3n8f h HIS 351 N 0.04 0.00 -0.56 5.60 3.86 -1.56 0.45 115.15 122.98 3n8f h HIS 351 Ca 0.01 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.06 3n8f h HIS 351 Cb 0.14 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.51 3n8f h HIS 351 CO 0.00 0.00 0.21 -1.33 0.86 0.00 0.00 177.93 177.67 3n8f n MET 352 N -3.23 3.09 0.00 2.45 2.81 -0.74 -3.78 117.12 117.72 3n8f n MET 352 Ca 0.00 -2.30 0.00 0.00 -1.81 0.00 0.00 57.70 53.59 3n8f n MET 352 Cb 0.39 -1.99 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 3n8f n MET 352 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3n8f n GLU 353 N -0.03 4.61 -2.39 0.03 1.02 0.16 -3.72 120.64 120.31 3n8f n GLU 353 Ca 0.31 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 57.02 3n8f n GLU 353 Cb 1.14 -0.35 -0.02 0.00 -0.02 0.00 0.00 31.44 32.18 3n8f n GLU 353 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3n8f s VAL 354 N -0.69 4.18 0.53 2.62 1.01 -1.21 -1.28 120.40 125.56 3n8f s VAL 354 Ca 0.00 1.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.37 3n8f s VAL 354 Cb 0.00 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.38 3n8f s VAL 354 CO 0.00 -0.25 0.77 -2.16 0.00 0.00 0.00 175.10 173.46 3n8f s PRO 355 N 3.80 2.75 0.48 2.72 0.04 -1.26 -4.55 135.00 138.97 3n8f s PRO 355 Ca 0.57 -0.54 0.19 0.00 0.04 0.00 0.00 61.00 61.25 3n8f s PRO 355 Cb -0.21 -2.46 1.19 0.00 0.04 0.00 0.00 34.50 33.06 3n8f s PRO 355 CO 0.19 -0.59 2.04 0.66 0.04 0.00 0.00 177.00 179.34 3n8f h SER 356 N 0.11 0.00 -2.60 6.66 4.64 -1.97 -3.45 113.55 116.94 3n8f h SER 356 Ca -0.44 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.34 3n8f h SER 356 Cb 1.28 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.23 3n8f h SER 356 CO 0.56 0.14 -0.63 0.42 -0.87 0.00 0.00 176.83 176.45 3n8f s THR 357 N -4.56 1.63 -0.04 2.95 -4.23 -1.26 -1.69 115.64 108.44 3n8f s THR 357 Ca -0.04 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 58.41 3n8f s THR 357 Cb 0.15 -2.75 0.03 0.00 1.34 0.00 0.00 72.50 71.27 3n8f s THR 357 CO 0.66 -0.10 0.02 -0.69 -0.54 0.00 0.00 174.62 173.97 3n8f s VAL 358 N -2.99 0.15 0.20 2.29 1.01 0.56 -4.80 120.40 116.83 3n8f s VAL 358 Ca 0.34 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.56 3n8f s VAL 358 Cb 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 3n8f s VAL 358 CO 0.15 0.19 0.27 -0.44 0.00 0.00 0.00 175.10 175.27 3n8f s SER 359 N 1.63 6.03 -0.15 3.32 0.01 -1.26 -0.41 113.70 122.87 3n8f s SER 359 Ca -0.01 -0.00 -0.00 0.00 1.31 0.00 0.00 55.95 57.24 3n8f s SER 359 Cb -0.13 -1.71 0.03 0.00 0.21 0.00 0.00 66.02 64.43 3n8f s SER 359 CO -0.03 -0.01 -0.07 -0.13 0.41 0.00 0.00 173.24 173.41 3n8f s ARG 360 N -3.60 1.54 0.06 12.44 0.52 -0.89 -4.50 118.95 124.52 3n8f s ARG 360 Ca 0.33 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 55.11 3n8f s ARG 360 Cb -0.09 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 3n8f s ARG 360 CO 0.27 -0.37 0.14 -0.51 0.02 0.00 0.00 175.30 174.86 3n8f s LEU 361 N 1.64 4.08 0.00 2.53 1.43 -1.05 -1.63 118.68 125.68 3n8f s LEU 361 Ca 0.02 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3n8f s LEU 361 Cb -0.14 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.43 3n8f s LEU 361 CO -0.08 0.19 0.14 -0.90 0.23 0.00 0.00 176.35 175.93 3n8f n ASP 362 N 0.50 0.09 -0.17 2.29 5.75 0.72 -4.30 116.55 121.41 3n8f n ASP 362 Ca -0.08 -1.10 0.09 0.00 -0.01 0.00 0.00 54.79 53.70 3n8f n ASP 362 Cb 0.52 -0.10 0.40 0.00 -1.03 0.00 0.00 41.12 40.91 3n8f n ASP 362 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3n8f h GLU 363 N 0.00 0.62 -0.83 0.11 3.07 -1.98 -1.28 114.58 114.28 3n8f h GLU 363 Ca -0.05 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.68 3n8f h GLU 363 Cb 0.14 -0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 27.86 3n8f h GLU 363 CO 0.04 0.41 0.12 0.09 -1.40 0.00 0.00 179.01 178.27 3n8f n ASN 364 N -4.49 3.66 -3.92 1.42 5.03 -1.26 -4.88 115.26 110.82 3n8f n ASN 364 Ca 0.12 -2.66 -0.26 0.00 0.87 0.00 0.00 54.58 52.64 3n8f n ASN 364 Cb 0.32 -0.64 -0.00 0.00 -1.02 0.00 0.00 39.78 38.44 3n8f n ASN 364 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3n8f n TYR 365 N 0.11 -1.79 -4.35 3.10 4.01 -0.48 -5.00 117.16 112.75 3n8f n TYR 365 Ca 0.22 0.79 -0.24 0.00 -0.16 0.00 0.00 57.90 58.51 3n8f n TYR 365 Cb 0.92 -3.84 -0.13 0.00 -0.31 0.00 0.00 39.34 35.98 3n8f n TYR 365 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3n8f s GLN 366 N -6.46 1.16 -0.33 -0.72 -1.52 -1.26 -4.84 119.66 105.70 3n8f s GLN 366 Ca 0.15 -1.11 -0.42 0.00 -1.95 0.00 0.00 55.36 52.03 3n8f s GLN 366 Cb -0.08 -1.40 -0.17 0.00 -0.22 0.00 0.00 33.01 31.14 3n8f s GLN 366 CO 0.87 0.33 1.67 -2.30 -0.25 0.00 0.00 175.29 175.61 3n8f n PRO 367 N 1.24 0.77 -2.79 2.91 -0.02 -1.26 -0.20 135.00 135.64 3n8f n PRO 367 Ca -0.19 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 3n8f n PRO 367 Cb 0.53 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 3n8f n PRO 367 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3n8f s TRP 368 N 3.18 2.76 0.01 6.00 -0.00 -0.65 -4.65 118.94 125.59 3n8f s TRP 368 Ca 1.00 0.06 0.00 0.00 -0.00 0.00 0.00 56.10 57.16 3n8f s TRP 368 Cb -1.20 -4.16 0.00 0.00 -0.00 0.00 0.00 33.47 28.11 3n8f s TRP 368 CO 0.70 -1.40 0.00 0.41 -0.00 0.00 0.00 176.95 176.66 3n8f n GLY 369 N 5.11 -1.43 0.29 5.86 0.00 -1.26 -3.82 105.19 109.94 3n8f n GLY 369 Ca 0.03 -1.17 -0.03 0.00 0.00 0.00 0.00 46.02 44.84 3n8f n GLY 369 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3n8f h PRO 370 N 0.00 0.78 -2.95 1.61 0.11 -2.01 -3.32 132.00 126.22 3n8f h PRO 370 Ca 0.00 -0.18 -0.62 0.00 0.11 0.00 0.00 66.00 65.32 3n8f h PRO 370 Cb 0.03 -0.11 -0.41 0.00 0.11 0.00 0.00 31.00 30.62 3n8f h PRO 370 CO 0.00 0.74 -0.63 0.39 -0.21 0.00 0.00 178.00 178.30 3n8f n GLU 371 N -4.25 1.66 -0.09 1.05 1.02 -1.26 -4.82 120.64 113.94 3n8f n GLU 371 Ca 0.03 -4.33 -0.19 0.00 -0.02 0.00 0.00 57.16 52.65 3n8f n GLU 371 Cb 0.26 -2.20 -0.11 0.00 -0.02 0.00 0.00 31.44 29.37 3n8f n GLU 371 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3n8f h ALA 372 N 5.35 0.19 -2.53 0.62 0.00 -1.67 -3.46 119.26 117.75 3n8f h ALA 372 Ca 0.17 -0.99 -0.60 0.00 0.00 0.00 0.00 54.91 53.48 3n8f h ALA 372 Cb 0.77 0.56 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 3n8f h ALA 372 CO 0.68 0.53 0.13 -2.00 0.00 0.00 0.00 179.25 178.59 3n8f s GLU 373 N -2.31 4.15 -0.03 0.00 2.12 -1.26 -2.10 118.70 119.27 3n8f s GLU 373 Ca -0.25 0.56 0.06 0.00 0.36 0.00 0.00 54.97 55.70 3n8f s GLU 373 Cb 0.04 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 3n8f s GLU 373 CO 0.57 -0.33 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.22 3n8f s LEU 374 N 2.24 2.03 0.19 2.70 1.43 0.45 -4.94 118.68 122.78 3n8f s LEU 374 Ca 0.27 -0.44 -0.33 0.00 -1.03 0.00 0.00 54.13 52.60 3n8f s LEU 374 Cb -0.16 -1.22 -0.14 0.00 0.03 0.00 0.00 46.19 44.71 3n8f s LEU 374 CO 0.09 0.25 1.54 -2.65 0.23 0.00 0.00 176.35 175.81 3n8f n PRO 375 N 2.73 2.18 0.05 1.29 -0.02 -1.26 -0.32 135.00 139.65 3n8f n PRO 375 Ca -0.16 0.78 0.08 0.00 -2.02 0.00 0.00 63.50 62.18 3n8f n PRO 375 Cb 0.52 -2.53 0.52 0.00 -0.02 0.00 0.00 33.50 32.00 3n8f n PRO 375 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3n8f h LEU 376 N 5.43 0.28 -1.61 2.45 5.85 -1.63 -1.79 115.31 124.28 3n8f h LEU 376 Ca -0.45 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3n8f h LEU 376 Cb 1.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3n8f h LEU 376 CO 0.85 0.20 -0.21 1.12 -0.34 0.00 0.00 178.44 180.06 3n8f h HIS 377 N 0.33 0.00 -0.37 1.25 2.07 -1.84 0.07 115.15 116.66 3n8f h HIS 377 Ca 0.15 0.00 0.11 0.00 -2.85 0.00 0.00 60.37 57.77 3n8f h HIS 377 Cb 0.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.13 3n8f h HIS 377 CO -0.00 0.21 0.32 1.15 -3.07 0.00 0.00 177.93 176.53 3n8f h THR 378 N 0.00 0.59 -0.16 6.12 2.02 -1.70 -3.18 112.91 116.60 3n8f h THR 378 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3n8f h THR 378 Cb 0.39 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3n8f h THR 378 CO 0.03 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.10 3n8f n LEU 379 N -4.07 2.75 -4.66 2.58 4.77 0.01 -4.68 117.00 113.69 3n8f n LEU 379 Ca 0.06 -1.25 -0.42 0.00 -0.03 0.00 0.00 56.01 54.36 3n8f n LEU 379 Cb 0.49 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3n8f n LEU 379 CO 0.32 0.55 1.26 -0.36 -1.33 0.00 0.00 177.39 177.83 3n8f s PHE 380 N -1.37 2.31 -1.88 -1.77 0.08 -1.20 -2.26 117.98 111.88 3n8f s PHE 380 Ca 0.25 0.49 0.00 0.00 0.12 0.00 0.00 56.93 57.79 3n8f s PHE 380 Cb 0.16 -3.77 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 3n8f s PHE 380 CO 0.23 -3.06 0.00 1.19 -0.10 0.00 0.00 175.22 173.48 3n8f n PHE 381 N 6.90 -0.63 -2.84 0.36 3.01 -0.54 -4.95 117.46 118.76 3n8f n PHE 381 Ca 0.16 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.19 3n8f n PHE 381 Cb 0.43 -3.66 -0.04 0.00 -0.01 0.00 0.00 39.48 36.20 3n8f n PHE 381 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3n8f s ASN 382 N -2.32 6.63 -0.00 4.37 3.84 -0.96 -4.21 114.94 122.30 3n8f s ASN 382 Ca 0.00 0.49 0.04 0.00 0.21 0.00 0.00 52.86 53.59 3n8f s ASN 382 Cb 0.00 -2.45 -0.06 0.00 -0.55 0.00 0.00 41.25 38.20 3n8f s ASN 382 CO 0.00 -0.85 0.10 0.35 -2.79 0.00 0.00 177.10 173.91 3n8f n THR 383 N 5.97 0.00 0.13 -5.21 -2.24 -1.26 -4.33 114.28 107.35 3n8f n THR 383 Ca 0.06 -0.14 -0.01 0.00 -2.27 0.00 0.00 64.05 61.68 3n8f n THR 383 Cb 0.48 0.51 0.20 0.00 -2.10 0.00 0.00 70.33 69.42 3n8f n THR 383 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3n8f h TRP 384 N 0.00 0.07 0.00 4.78 5.08 -1.89 -2.64 115.95 121.35 3n8f h TRP 384 Ca 0.00 -0.03 -0.05 0.00 1.08 0.00 0.00 58.89 59.90 3n8f h TRP 384 Cb 0.16 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.30 3n8f h TRP 384 CO 0.00 0.60 -0.23 0.00 -1.28 0.00 0.00 178.44 177.53 3n8f h ARG 385 N 0.04 0.00 0.05 0.12 2.47 -1.93 -0.55 114.38 114.59 3n8f h ARG 385 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3n8f h ARG 385 Cb 0.99 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 3n8f h ARG 385 CO 0.08 0.23 -0.02 0.82 0.56 0.00 0.00 179.97 181.63 3n8f h ILE 386 N 0.00 0.32 0.00 2.04 2.04 -1.75 -3.21 117.51 116.95 3n8f h ILE 386 Ca -0.00 -1.17 -0.16 0.00 1.00 0.00 0.00 64.86 64.53 3n8f h ILE 386 Cb 0.50 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3n8f h ILE 386 CO 0.03 0.10 -0.87 0.16 0.00 0.00 0.00 178.15 177.57 3n8f h ILE 387 N -1.01 1.07 -0.20 -0.67 3.07 -1.53 -0.62 117.51 117.62 3n8f h ILE 387 Ca -0.01 -2.58 0.00 0.00 1.55 0.00 0.00 64.86 63.82 3n8f h ILE 387 Cb 0.22 2.49 0.00 0.00 -0.27 0.00 0.00 36.82 39.26 3n8f h ILE 387 CO 0.01 0.61 0.00 0.29 -1.05 0.00 0.00 178.15 178.01 3n8f n LYS 388 N -3.20 1.98 -0.09 0.16 5.02 -0.22 -4.71 118.16 117.10 3n8f n LYS 388 Ca -0.02 -1.67 0.02 0.00 -2.02 0.00 0.00 58.31 54.62 3n8f n LYS 388 Cb 0.83 -1.22 0.02 0.00 -0.02 0.00 0.00 35.03 34.64 3n8f n LYS 388 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3n8f n ASP 389 N 0.47 1.13 0.00 4.39 2.03 -1.21 -4.95 116.55 118.41 3n8f n ASP 389 Ca 0.09 -1.88 0.00 0.00 0.52 0.00 0.00 54.79 53.52 3n8f n ASP 389 Cb 0.35 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 3n8f n ASP 389 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3n8f n GLY 390 N -0.43 0.72 2.96 0.27 0.00 -1.25 -4.96 105.19 102.50 3n8f n GLY 390 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3n8f n GLY 390 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n8f n GLY 391 N 0.00 -0.01 0.00 -0.02 0.00 -0.24 -4.48 105.19 100.44 3n8f n GLY 391 Ca 0.00 -1.49 0.04 0.00 0.00 0.00 0.00 46.02 44.57 3n8f n GLY 391 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3n8f n ILE 392 N 0.00 0.00 -0.05 -0.61 -5.35 -1.26 -4.67 119.36 107.41 3n8f n ILE 392 Ca 0.00 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.09 3n8f n ILE 392 Cb 0.00 0.72 -0.07 0.00 -1.74 0.00 0.00 39.64 38.55 3n8f n ILE 392 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3n8f h ASP 393 N 0.00 -1.55 0.54 7.28 3.32 -1.98 0.15 116.42 124.18 3n8f h ASP 393 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3n8f h ASP 393 Cb 0.28 0.63 0.00 0.00 0.22 0.00 0.00 39.33 40.46 3n8f h ASP 393 CO 0.00 -0.43 0.00 -0.81 -1.72 0.00 0.00 179.24 176.28 3n8f n PRO 394 N -5.42 0.19 -0.02 3.56 -0.04 -1.26 -1.25 135.00 130.76 3n8f n PRO 394 Ca -0.04 0.49 -0.11 0.00 -0.04 0.00 0.00 63.50 63.81 3n8f n PRO 394 Cb 0.36 -1.92 -0.14 0.00 -0.04 0.00 0.00 33.50 31.76 3n8f n PRO 394 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3n8f n LEU 395 N -2.29 1.12 0.09 1.53 4.77 -0.72 -2.53 117.00 118.97 3n8f n LEU 395 Ca 0.01 0.37 -0.05 0.00 -0.03 0.00 0.00 56.01 56.31 3n8f n LEU 395 Cb 0.18 -0.02 0.12 0.00 -2.33 0.00 0.00 43.42 41.37 3n8f n LEU 395 CO 0.17 0.46 0.46 0.58 -1.33 0.00 0.00 177.39 177.73 3n8f h VAL 396 N 0.01 1.40 -0.17 4.08 2.07 -0.23 -2.53 116.25 120.88 3n8f h VAL 396 Ca -0.31 -2.06 -0.18 0.00 0.82 0.00 0.00 66.70 64.97 3n8f h VAL 396 Cb 2.02 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 33.85 3n8f h VAL 396 CO 0.08 0.60 -0.63 0.03 0.02 0.00 0.00 177.57 177.67 3n8f h ARG 397 N 0.15 0.62 -0.04 1.57 3.08 -1.29 -2.77 114.38 115.69 3n8f h ARG 397 Ca -0.01 -0.43 0.03 0.00 0.07 0.00 0.00 59.98 59.64 3n8f h ARG 397 Cb 1.14 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 3n8f h ARG 397 CO 0.10 1.05 -0.17 0.78 -1.07 0.00 0.00 179.97 180.65 3n8f h GLY 398 N 0.97 -0.20 0.62 0.04 0.00 -1.41 -2.09 103.07 100.99 3n8f h GLY 398 Ca -0.01 0.21 0.12 0.00 0.00 0.00 0.00 47.33 47.65 3n8f h GLY 398 CO 0.12 -0.16 0.57 1.41 0.00 0.00 0.00 176.54 178.48 3n8f h LEU 399 N -0.26 0.72 -0.30 3.11 3.38 -1.41 0.47 115.31 121.01 3n8f h LEU 399 Ca 0.07 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 3n8f h LEU 399 Cb 0.36 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3n8f h LEU 399 CO -0.19 0.39 -0.84 -0.07 0.09 0.00 0.00 178.44 177.82 3n8f h LEU 400 N 0.78 0.43 0.00 1.67 3.38 -1.19 -3.22 115.31 117.15 3n8f h LEU 400 Ca 0.43 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3n8f h LEU 400 Cb 0.57 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3n8f h LEU 400 CO -0.19 1.09 -0.93 0.00 0.09 0.00 0.00 178.44 178.49 3n8f n ALA 401 N -2.51 3.38 -2.46 1.53 0.00 -0.82 -4.46 120.51 115.18 3n8f n ALA 401 Ca -0.05 -0.36 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 3n8f n ALA 401 Cb 0.78 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 3n8f n ALA 401 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3n8f s LYS 402 N -2.48 3.08 0.16 0.00 -0.14 0.12 -4.87 119.74 115.62 3n8f s LYS 402 Ca 0.02 -1.04 0.04 0.00 -1.36 0.00 0.00 55.97 53.63 3n8f s LYS 402 Cb 0.10 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 33.42 3n8f s LYS 402 CO 0.56 0.06 0.18 -0.80 -0.76 0.00 0.00 175.35 174.58 3n8f s ASN 403 N -4.16 5.77 1.09 2.83 0.01 -1.26 -1.24 114.94 117.97 3n8f s ASN 403 Ca 0.45 -0.03 -0.18 0.00 -0.71 0.00 0.00 52.86 52.38 3n8f s ASN 403 Cb -0.09 -1.59 0.26 0.00 0.41 0.00 0.00 41.25 40.24 3n8f s ASN 403 CO 0.31 0.07 1.27 -0.44 -1.51 0.00 0.00 177.10 176.79 3n8f s SER 404 N -3.12 1.99 -0.10 -1.22 0.01 -1.01 -4.32 113.70 105.92 3n8f s SER 404 Ca 0.32 0.28 -0.14 0.00 1.31 0.00 0.00 55.95 57.72 3n8f s SER 404 Cb -0.10 -0.30 -0.05 0.00 0.21 0.00 0.00 66.02 65.78 3n8f s SER 404 CO 0.25 -3.43 0.35 -0.75 0.41 0.00 0.00 173.24 170.07 3n8f s LYS 405 N -5.80 4.10 -0.08 12.44 2.20 -0.41 -0.74 119.74 131.46 3n8f s LYS 405 Ca 0.75 0.25 -0.26 0.00 -0.36 0.00 0.00 55.97 56.35 3n8f s LYS 405 Cb -0.04 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 3n8f s LYS 405 CO 0.54 0.40 0.83 -1.17 -0.36 0.00 0.00 175.35 175.60 3n8f s LEU 406 N -0.10 4.28 0.34 5.43 2.96 0.65 -4.32 118.68 127.94 3n8f s LEU 406 Ca 0.21 1.33 -0.29 0.00 -0.22 0.00 0.00 54.13 55.15 3n8f s LEU 406 Cb -0.14 -3.28 -0.11 0.00 0.50 0.00 0.00 46.19 43.15 3n8f s LEU 406 CO 0.08 -0.26 1.49 -0.32 -1.32 0.00 0.00 176.35 176.03 3n8f s MET 407 N 1.33 4.15 -0.17 1.98 -2.45 -1.24 -4.87 119.30 118.03 3n8f s MET 407 Ca 0.42 2.52 -0.08 0.00 -1.25 0.00 0.00 55.69 57.30 3n8f s MET 407 Cb -0.18 -3.00 0.06 0.00 1.25 0.00 0.00 34.83 32.96 3n8f s MET 407 CO 0.19 -0.52 0.39 1.21 1.05 0.00 0.00 175.02 177.35 3n8f s ASN 408 N 0.03 -0.40 0.32 1.11 3.84 -1.20 -5.05 114.94 113.58 3n8f s ASN 408 Ca 0.56 0.87 0.08 0.00 0.21 0.00 0.00 52.86 54.58 3n8f s ASN 408 Cb -0.46 0.86 0.79 0.00 -0.55 0.00 0.00 41.25 41.89 3n8f s ASN 408 CO 0.57 -0.20 1.79 1.56 -2.79 0.00 0.00 177.10 178.02 3n8f h GLN 409 N 7.39 0.70 0.00 0.43 4.20 -1.92 -0.06 115.11 125.85 3n8f h GLN 409 Ca -0.32 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3n8f h GLN 409 Cb 1.16 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.79 3n8f h GLN 409 CO 0.26 0.46 -0.44 0.09 -0.67 0.00 0.00 178.83 178.53 3n8f n ASN 410 N -4.72 0.54 -3.53 1.46 3.02 -1.26 -4.67 115.26 106.10 3n8f n ASN 410 Ca 0.23 0.09 -0.29 0.00 -0.03 0.00 0.00 54.58 54.58 3n8f n ASN 410 Cb 0.59 0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.62 3n8f n ASN 410 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3n8f s LYS 411 N -3.08 0.22 0.00 3.52 1.02 -0.04 -4.76 119.74 116.62 3n8f s LYS 411 Ca 0.09 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.51 3n8f s LYS 411 Cb 0.15 -1.16 0.00 0.00 -0.52 0.00 0.00 37.83 36.30 3n8f s LYS 411 CO 0.68 -1.03 0.00 -1.33 -0.92 0.00 0.00 175.35 172.74 3n8f n MET 412 N 5.17 0.00 -4.77 1.68 2.81 -1.13 -3.24 117.12 117.64 3n8f n MET 412 Ca -0.05 0.05 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 3n8f n MET 412 Cb 0.42 -0.40 -0.15 0.00 -0.71 0.00 0.00 33.22 32.38 3n8f n MET 412 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3n8f s VAL 413 N -0.66 2.96 0.83 2.03 1.01 -0.42 -4.54 120.40 121.62 3n8f s VAL 413 Ca 0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 3n8f s VAL 413 Cb 0.00 -2.24 0.09 0.00 0.00 0.00 0.00 36.38 34.23 3n8f s VAL 413 CO 0.00 0.52 1.16 0.28 0.00 0.00 0.00 175.10 177.07 3n8f s THR 414 N 0.40 2.31 0.55 3.92 -1.32 -1.26 -4.42 115.64 115.83 3n8f s THR 414 Ca -0.11 0.12 0.38 0.00 -1.21 0.00 0.00 61.69 60.87 3n8f s THR 414 Cb -0.16 -2.41 0.40 0.00 -1.51 0.00 0.00 72.50 68.82 3n8f s THR 414 CO 0.05 -0.11 2.27 0.28 -2.21 0.00 0.00 174.62 174.90 3n8f h SER 415 N -1.17 0.00 0.65 8.08 0.02 -1.96 -1.88 113.55 117.29 3n8f h SER 415 Ca -0.45 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.45 3n8f h SER 415 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3n8f h SER 415 CO 0.46 0.02 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.60 3n8f h GLU 416 N 0.00 0.00 0.00 3.45 4.39 -1.92 -0.88 114.58 119.62 3n8f h GLU 416 Ca -0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 3n8f h GLU 416 Cb 0.10 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.69 3n8f h GLU 416 CO 0.00 0.24 -2.25 1.28 -1.16 0.00 0.00 179.01 177.12 3n8f n LEU 417 N -3.59 2.54 -0.51 1.33 4.77 -0.74 -3.54 117.00 117.26 3n8f n LEU 417 Ca -0.01 -0.10 0.13 0.00 -0.03 0.00 0.00 56.01 56.00 3n8f n LEU 417 Cb 0.38 -0.60 0.40 0.00 -2.33 0.00 0.00 43.42 41.27 3n8f n LEU 417 CO 0.33 0.81 0.76 -2.11 -1.33 0.00 0.00 177.39 175.86 3n8f n ARG 418 N -3.07 1.59 0.00 3.23 1.85 -0.98 -0.02 116.66 119.25 3n8f n ARG 418 Ca -0.38 -1.03 0.00 0.00 -1.00 0.00 0.00 57.85 55.44 3n8f n ARG 418 Cb 0.94 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.87 3n8f n ARG 418 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3n8f n ASN 419 N 0.19 0.00 -0.21 2.89 4.13 -0.35 -4.26 115.26 117.65 3n8f n ASN 419 Ca 0.16 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.42 3n8f n ASN 419 Cb 0.40 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 3n8f n ASN 419 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3n8f n LYS 420 N 0.00 0.00 -1.95 3.52 5.02 -1.10 -4.54 118.16 119.11 3n8f n LYS 420 Ca 0.00 -0.21 -0.42 0.00 -2.02 0.00 0.00 58.31 55.66 3n8f n LYS 420 Cb 0.47 -0.15 -0.03 0.00 -0.02 0.00 0.00 35.03 35.30 3n8f n LYS 420 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3n8f s LEU 421 N 0.00 4.37 -0.14 -0.35 2.96 -1.04 -4.19 118.68 120.28 3n8f s LEU 421 Ca 0.00 2.52 -0.14 0.00 -0.22 0.00 0.00 54.13 56.28 3n8f s LEU 421 Cb 0.00 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 3n8f s LEU 421 CO 0.00 -0.84 0.33 0.12 -1.32 0.00 0.00 176.35 174.64 3n8f s PHE 422 N 1.94 3.50 -0.07 5.38 5.36 -1.26 -2.24 117.98 130.58 3n8f s PHE 422 Ca 0.72 0.68 0.04 0.00 -0.96 0.00 0.00 56.93 57.40 3n8f s PHE 422 Cb -0.41 -2.36 -0.02 0.00 -0.34 0.00 0.00 43.02 39.89 3n8f s PHE 422 CO 0.32 0.27 -0.20 -0.65 -1.46 0.00 0.00 175.22 173.50 3n8f s GLN 423 N 0.33 2.74 0.23 10.12 -0.21 -1.26 -4.91 119.66 126.69 3n8f s GLN 423 Ca 0.19 -0.81 -0.15 0.00 0.02 0.00 0.00 55.36 54.61 3n8f s GLN 423 Cb -0.14 -2.32 0.27 0.00 1.00 0.00 0.00 33.01 31.82 3n8f s GLN 423 CO 0.06 0.40 1.58 -1.35 -2.12 0.00 0.00 175.29 173.86 3n8f h PRO 424 N 6.04 -0.04 -0.02 2.91 0.11 -1.98 -2.45 132.00 136.58 3n8f h PRO 424 Ca -0.34 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 3n8f h PRO 424 Cb 1.18 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3n8f h PRO 424 CO 0.50 -0.03 -0.08 1.79 -0.21 0.00 0.00 178.00 179.97 3n8f h THR 425 N -0.04 1.50 -3.93 -1.15 1.35 -1.99 -3.41 112.91 105.24 3n8f h THR 425 Ca 0.35 -1.59 -0.44 0.00 -0.55 0.00 0.00 66.41 64.17 3n8f h THR 425 Cb 0.59 2.53 0.16 0.00 -1.73 0.00 0.00 68.15 69.70 3n8f h THR 425 CO -0.85 0.43 0.26 -1.00 -0.25 0.00 0.00 175.52 174.11 3n8f s HIS 426 N -3.58 1.69 -0.08 4.73 3.76 -0.92 -5.03 115.29 115.84 3n8f s HIS 426 Ca -0.16 0.66 0.11 0.00 -0.15 0.00 0.00 55.06 55.52 3n8f s HIS 426 Cb 0.01 -3.52 -0.16 0.00 1.11 0.00 0.00 32.58 30.01 3n8f s HIS 426 CO 0.70 -2.95 0.12 1.63 -0.85 0.00 0.00 174.74 173.40 3n8f n LYS 427 N -4.12 1.48 -3.70 1.40 5.02 -1.26 -4.67 118.16 112.31 3n8f n LYS 427 Ca 0.10 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.05 3n8f n LYS 427 Cb 0.59 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 34.26 3n8f n LYS 427 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3n8f s VAL 428 N -2.49 5.20 -1.23 -0.18 -7.23 -1.26 -5.02 120.40 108.19 3n8f s VAL 428 Ca -0.05 -0.21 -0.10 0.00 -1.81 0.00 0.00 61.98 59.80 3n8f s VAL 428 Cb 0.05 -3.68 0.19 0.00 0.56 0.00 0.00 36.38 33.50 3n8f s VAL 428 CO 0.49 -0.07 1.66 1.41 -0.31 0.00 0.00 175.10 178.28 3n8f n HIS 429 N -0.30 3.68 -2.00 2.82 8.25 -1.26 -4.35 115.22 122.04 3n8f n HIS 429 Ca -0.04 -3.02 -0.00 0.00 -0.26 0.00 0.00 57.72 54.40 3n8f n HIS 429 Cb 0.53 -1.95 -0.00 0.00 1.12 0.00 0.00 29.99 29.68 3n8f n HIS 429 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3n8f n GLY 430 N 3.09 0.81 3.92 -1.41 0.00 -1.20 -4.38 105.19 106.02 3n8f n GLY 430 Ca 0.37 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 3n8f n GLY 430 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n8f s PHE 431 N 0.00 3.14 -0.15 1.61 0.40 -0.95 -4.70 117.98 117.33 3n8f s PHE 431 Ca 0.00 0.57 -0.01 0.00 -0.60 0.00 0.00 56.93 56.89 3n8f s PHE 431 Cb 0.00 -2.89 -0.01 0.00 0.51 0.00 0.00 43.02 40.63 3n8f s PHE 431 CO -0.00 -1.01 -0.11 0.34 0.70 0.00 0.00 175.22 175.14 3n8f s ASP 432 N -4.38 4.12 -0.03 1.36 -1.08 -1.26 -2.50 116.67 112.90 3n8f s ASP 432 Ca 0.56 -0.33 -0.22 0.00 -0.52 0.00 0.00 52.55 52.04 3n8f s ASP 432 Cb -0.11 -1.65 -0.26 0.00 -1.46 0.00 0.00 42.92 39.44 3n8f s ASP 432 CO 0.45 0.13 1.00 0.25 0.52 0.00 0.00 175.17 177.52 3n8f h LEU 433 N 7.01 0.43 -0.35 -1.34 5.85 -0.67 -2.00 115.31 124.23 3n8f h LEU 433 Ca -0.30 -0.84 0.06 0.00 0.84 0.00 0.00 57.88 57.64 3n8f h LEU 433 Cb 1.20 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 3n8f h LEU 433 CO 0.58 1.23 0.00 0.00 -0.34 0.00 0.00 178.44 179.91 3n8f h ALA 434 N 0.21 0.32 -0.28 1.25 0.00 -1.89 -1.01 119.26 117.86 3n8f h ALA 434 Ca -0.09 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3n8f h ALA 434 Cb 1.36 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3n8f h ALA 434 CO 0.11 -0.40 -0.38 0.00 0.00 0.00 0.00 179.25 178.59 3n8f h ALA 435 N 1.31 0.82 -0.17 0.00 0.00 -1.82 -2.15 119.26 117.25 3n8f h ALA 435 Ca 0.17 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3n8f h ALA 435 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3n8f h ALA 435 CO -0.29 0.65 -0.06 0.82 0.00 0.00 0.00 179.25 180.37 3n8f h ILE 436 N 0.53 1.14 -0.20 0.00 1.08 -1.09 -2.16 117.51 116.80 3n8f h ILE 436 Ca 0.05 -0.59 -0.05 0.00 -0.39 0.00 0.00 64.86 63.88 3n8f h ILE 436 Cb 0.90 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 3n8f h ILE 436 CO 0.08 0.19 -0.06 0.78 -0.69 0.00 0.00 178.15 178.45 3n8f h ASN 437 N 0.24 0.41 -0.11 1.72 -0.26 -0.68 -3.12 115.58 113.78 3n8f h ASN 437 Ca 0.05 -0.38 -0.04 0.00 -0.56 0.00 0.00 56.30 55.38 3n8f h ASN 437 Cb 0.26 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 3n8f h ASN 437 CO 0.01 0.70 -0.07 -0.07 -1.06 0.00 0.00 177.43 176.93 3n8f h LEU 438 N 0.12 0.25 -2.05 1.61 3.38 -1.18 -1.78 115.31 115.67 3n8f h LEU 438 Ca 0.05 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3n8f h LEU 438 Cb 0.52 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3n8f h LEU 438 CO 0.02 0.64 0.06 -0.61 0.09 0.00 0.00 178.44 178.65 3n8f h GLN 439 N -0.13 0.00 0.00 1.13 5.75 -1.52 -1.92 115.11 118.41 3n8f h GLN 439 Ca 0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3n8f h GLN 439 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.11 3n8f h GLN 439 CO 0.02 0.00 -1.62 -2.13 -2.65 0.00 0.00 178.83 172.45 3n8f n ARG 440 N -2.62 0.45 0.10 1.69 0.63 -0.87 -1.73 116.66 114.31 3n8f n ARG 440 Ca -0.02 -0.13 -0.04 0.00 -0.92 0.00 0.00 57.85 56.75 3n8f n ARG 440 Cb 0.11 -1.50 0.16 0.00 0.45 0.00 0.00 32.46 31.68 3n8f n ARG 440 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3n8f h ARG 442 N 0.16 0.59 -0.09 0.00 3.08 -1.58 -2.17 114.38 114.37 3n8f h ARG 442 Ca 0.00 -0.88 -0.00 0.00 0.07 0.00 0.00 59.98 59.16 3n8f h ARG 442 Cb 1.02 0.31 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 3n8f h ARG 442 CO 0.08 1.41 0.04 0.22 -1.07 0.00 0.00 179.97 180.66 3n8f h ASP 443 N 0.22 0.10 -0.43 7.04 3.58 -1.32 -2.59 116.42 123.02 3n8f h ASP 443 Ca -0.22 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.22 3n8f h ASP 443 Cb 2.04 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 43.07 3n8f h ASP 443 CO 0.26 0.09 0.00 1.41 -2.88 0.00 0.00 179.24 178.12 3n8f n HIS 444 N -4.51 1.46 -4.03 0.28 8.25 -0.76 -4.85 115.22 111.07 3n8f n HIS 444 Ca -0.02 -0.52 -0.29 0.00 -0.26 0.00 0.00 57.72 56.64 3n8f n HIS 444 Cb 0.10 -0.37 -0.02 0.00 1.12 0.00 0.00 29.99 30.82 3n8f n HIS 444 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3n8f n GLY 445 N 0.53 -0.32 3.76 -1.41 0.00 -0.98 -4.87 105.19 101.91 3n8f n GLY 445 Ca 0.20 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 3n8f n GLY 445 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3n8f s MET 446 N -6.66 4.68 0.81 1.61 -1.94 -0.82 -0.18 119.30 116.80 3n8f s MET 446 Ca 0.29 1.29 -0.11 0.00 -1.71 0.00 0.00 55.69 55.45 3n8f s MET 446 Cb -0.16 -3.28 0.08 0.00 2.01 0.00 0.00 34.83 33.48 3n8f s MET 446 CO 0.89 0.52 1.09 -2.14 -0.01 0.00 0.00 175.02 175.37 3n8f s PRO 447 N -1.05 2.00 1.00 2.03 0.02 -1.26 -4.60 135.00 133.14 3n8f s PRO 447 Ca 0.38 0.93 -0.17 0.00 0.02 0.00 0.00 61.00 62.17 3n8f s PRO 447 Cb -0.24 -1.89 0.22 0.00 0.02 0.00 0.00 34.50 32.61 3n8f s PRO 447 CO 0.28 -1.76 1.29 0.20 -0.33 0.00 0.00 177.00 176.69 3n8f s GLY 448 N -3.55 1.75 0.17 0.52 0.00 -1.26 -4.63 107.32 100.32 3n8f s GLY 448 Ca 0.61 -1.17 -0.25 0.00 0.00 0.00 0.00 44.72 43.92 3n8f s GLY 448 CO 0.56 -0.37 1.57 -1.82 0.00 0.00 0.00 173.10 173.03 3n8f h TYR 449 N -1.81 -1.27 0.00 1.90 3.20 -1.17 -2.71 116.97 115.11 3n8f h TYR 449 Ca -0.44 0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.43 3n8f h TYR 449 Cb 1.24 0.65 -0.01 0.00 1.54 0.00 0.00 36.73 40.15 3n8f h TYR 449 CO -1.34 -0.42 -0.38 -0.91 -1.64 0.00 0.00 178.16 173.47 3n8f h ASN 450 N -0.19 0.00 0.13 -2.11 4.21 -1.84 0.31 115.58 116.09 3n8f h ASN 450 Ca 0.20 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.65 3n8f h ASN 450 Cb 0.56 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 3n8f h ASN 450 CO -0.73 0.38 -0.22 0.28 -1.29 0.00 0.00 177.43 175.86 3n8f h SER 451 N 0.00 0.15 0.41 5.81 0.02 -1.84 -0.98 113.55 117.13 3n8f h SER 451 Ca -0.00 -0.04 -0.31 0.00 -0.84 0.00 0.00 61.79 60.60 3n8f h SER 451 Cb 0.76 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3n8f h SER 451 CO 0.05 0.38 -1.61 -0.50 -1.14 0.00 0.00 176.83 174.01 3n8f h TRP 452 N 0.15 0.41 -0.12 3.45 4.06 -1.03 -2.11 115.95 120.76 3n8f h TRP 452 Ca 0.03 -0.30 0.04 0.00 2.06 0.00 0.00 58.89 60.71 3n8f h TRP 452 Cb 0.47 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.61 3n8f h TRP 452 CO 0.00 1.40 0.11 0.00 -3.56 0.00 0.00 178.44 176.39 3n8f h ARG 453 N 0.06 0.00 0.07 0.49 2.47 -0.36 -2.73 114.38 114.39 3n8f h ARG 453 Ca -0.27 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.12 3n8f h ARG 453 Cb 2.02 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.31 3n8f h ARG 453 CO 0.14 0.00 -1.80 0.78 0.56 0.00 0.00 179.97 179.65 3n8f h GLY 454 N 0.00 0.17 2.00 0.04 0.00 -1.18 0.36 103.07 104.46 3n8f h GLY 454 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3n8f h GLY 454 CO -0.00 0.39 0.00 -2.75 0.00 0.00 0.00 176.54 174.18 3n8f h PHE 455 N 0.04 0.00 -0.01 5.60 3.57 -1.26 -2.21 116.94 122.68 3n8f h PHE 455 Ca -0.34 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.16 3n8f h PHE 455 Cb 2.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.76 3n8f h PHE 455 CO 0.04 0.00 -0.54 0.00 -2.23 0.00 0.00 178.31 175.58 3n8f n GLY 457 N 1.28 0.38 3.47 0.00 0.00 -0.83 -5.08 105.19 104.41 3n8f n GLY 457 Ca 0.05 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 3n8f n GLY 457 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n8f s LEU 458 N -2.80 2.59 0.53 0.99 1.02 0.13 -5.02 118.68 116.11 3n8f s LEU 458 Ca 0.05 -1.01 -0.20 0.00 0.02 0.00 0.00 54.13 52.99 3n8f s LEU 458 Cb -0.02 -1.12 -0.08 0.00 0.02 0.00 0.00 46.19 44.99 3n8f s LEU 458 CO 0.17 0.05 0.85 -1.54 0.02 0.00 0.00 176.35 175.89 3n8f n SER 459 N -0.53 0.38 -4.00 2.29 3.41 -1.26 -4.27 113.62 109.64 3n8f n SER 459 Ca -0.06 0.86 -0.31 0.00 -0.26 0.00 0.00 58.87 59.10 3n8f n SER 459 Cb 0.60 -1.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.10 3n8f n SER 459 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3n8f s GLN 460 N -2.31 1.90 0.20 4.33 -0.21 -1.26 -4.85 119.66 117.46 3n8f s GLN 460 Ca 0.70 -2.35 -0.31 0.00 0.02 0.00 0.00 55.36 53.42 3n8f s GLN 460 Cb -0.47 -3.35 -0.10 0.00 1.00 0.00 0.00 33.01 30.09 3n8f s GLN 460 CO 0.52 -1.06 1.45 -2.14 -2.12 0.00 0.00 175.29 171.94 3n8f s PRO 461 N 0.16 4.27 -0.01 2.91 0.02 -1.26 -4.91 135.00 136.18 3n8f s PRO 461 Ca 0.15 2.26 0.07 0.00 0.02 0.00 0.00 61.00 63.50 3n8f s PRO 461 Cb -0.23 -3.15 -0.11 0.00 0.02 0.00 0.00 34.50 31.03 3n8f s PRO 461 CO -0.03 -0.45 0.19 1.63 -0.33 0.00 0.00 177.00 178.00 3n8f n LYS 462 N 3.01 1.00 -4.38 5.54 4.76 -1.26 -4.59 118.16 122.25 3n8f n LYS 462 Ca 0.09 -0.06 -0.23 0.00 -2.87 0.00 0.00 58.31 55.25 3n8f n LYS 462 Cb 0.40 -1.11 -0.11 0.00 -1.84 0.00 0.00 35.03 32.37 3n8f n LYS 462 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3n8f s THR 463 N -2.36 2.03 0.16 -0.18 -4.23 -1.26 -4.63 115.64 105.17 3n8f s THR 463 Ca -0.02 -2.08 -0.20 0.00 -1.18 0.00 0.00 61.69 58.21 3n8f s THR 463 Cb 0.05 -2.02 0.08 0.00 1.34 0.00 0.00 72.50 71.95 3n8f s THR 463 CO 0.30 -0.35 1.63 0.25 -0.54 0.00 0.00 174.62 175.92 3n8f h LEU 464 N 2.93 -0.72 -1.40 4.79 5.85 -1.97 0.69 115.31 125.47 3n8f h LEU 464 Ca -0.42 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3n8f h LEU 464 Cb 1.22 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 3n8f h LEU 464 CO 0.54 -0.25 0.14 0.11 -0.34 0.00 0.00 178.44 178.65 3n8f h LYS 465 N -0.16 0.55 0.36 1.25 1.57 -1.98 -1.31 116.57 116.85 3n8f h LYS 465 Ca 0.18 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3n8f h LYS 465 Cb 0.44 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3n8f h LYS 465 CO -0.46 0.46 -0.17 0.78 -0.57 0.00 0.00 179.45 179.49 3n8f h GLY 466 N 0.71 -0.51 2.00 3.86 0.00 -1.36 -2.56 103.07 105.21 3n8f h GLY 466 Ca 0.13 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 3n8f h GLY 466 CO -0.01 -0.19 -0.12 -2.00 0.00 0.00 0.00 176.54 174.22 3n8f h LEU 467 N -0.56 0.00 -0.60 3.11 5.85 -0.81 -2.36 115.31 119.94 3n8f h LEU 467 Ca -0.05 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3n8f h LEU 467 Cb 0.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3n8f h LEU 467 CO 0.08 0.12 0.16 1.56 -0.34 0.00 0.00 178.44 180.03 3n8f h GLN 468 N 0.00 0.95 -0.47 1.25 4.20 -0.98 -1.77 115.11 118.30 3n8f h GLN 468 Ca -0.00 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.39 3n8f h GLN 468 Cb 0.34 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3n8f h GLN 468 CO 0.02 0.86 -0.09 0.00 -0.67 0.00 0.00 178.83 178.95 3n8f h ALA 469 N 1.05 0.94 0.01 3.87 0.00 -1.03 -0.19 119.26 123.92 3n8f h ALA 469 Ca 0.19 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3n8f h ALA 469 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3n8f h ALA 469 CO -0.00 0.62 -0.01 0.28 0.00 0.00 0.00 179.25 180.14 3n8f h VAL 470 N 0.77 1.44 0.00 0.00 2.07 -1.46 -3.28 116.25 115.79 3n8f h VAL 470 Ca 0.13 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.25 3n8f h VAL 470 Cb 0.60 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 3n8f h VAL 470 CO 0.04 0.36 0.00 0.18 0.02 0.00 0.00 177.57 178.17 3n8f n LEU 471 N -4.81 0.18 -2.39 2.57 4.32 -0.67 -4.58 117.00 111.62 3n8f n LEU 471 Ca -0.09 0.52 -0.11 0.00 -0.02 0.00 0.00 56.01 56.32 3n8f n LEU 471 Cb 0.30 -0.47 -0.01 0.00 -1.62 0.00 0.00 43.42 41.62 3n8f n LEU 471 CO 0.33 -0.10 -0.14 0.29 -1.22 0.00 0.00 177.39 176.55 3n8f n LYS 472 N -1.67 -2.27 -3.46 3.23 5.02 -0.09 -4.42 118.16 114.51 3n8f n LYS 472 Ca 0.06 0.53 -0.16 0.00 -2.02 0.00 0.00 58.31 56.72 3n8f n LYS 472 Cb 0.32 -5.09 -0.12 0.00 -0.02 0.00 0.00 35.03 30.12 3n8f n LYS 472 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3n8f s ASN 473 N -2.02 1.09 0.30 4.39 3.84 -1.20 -5.04 114.94 116.31 3n8f s ASN 473 Ca 0.00 -0.10 0.00 0.00 0.21 0.00 0.00 52.86 52.97 3n8f s ASN 473 Cb 0.00 0.56 0.48 0.00 -0.55 0.00 0.00 41.25 41.74 3n8f s ASN 473 CO 0.00 -0.32 1.89 0.11 -2.79 0.00 0.00 177.10 175.99 3n8f h LYS 474 N 8.28 0.81 0.01 0.43 1.57 -1.92 -3.04 116.57 122.72 3n8f h LYS 474 Ca -0.18 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 3n8f h LYS 474 Cb 1.15 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.33 3n8f h LYS 474 CO 0.28 0.68 -0.29 0.28 -0.57 0.00 0.00 179.45 179.83 3n8f h VAL 475 N 0.80 1.56 -0.70 0.50 2.07 -1.98 -3.00 116.25 115.50 3n8f h VAL 475 Ca 0.19 -2.03 -0.03 0.00 0.82 0.00 0.00 66.70 65.65 3n8f h VAL 475 Cb 0.17 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 3n8f h VAL 475 CO -0.02 0.56 0.32 0.25 0.02 0.00 0.00 177.57 178.70 3n8f h LEU 476 N -0.51 0.91 -1.53 2.57 5.85 -1.97 -1.93 115.31 118.70 3n8f h LEU 476 Ca -0.04 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 3n8f h LEU 476 Cb 1.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3n8f h LEU 476 CO 0.06 0.79 -0.23 0.00 -0.34 0.00 0.00 178.44 178.71 3n8f h ALA 477 N 1.35 1.29 0.12 1.25 0.00 -1.61 -2.41 119.26 119.25 3n8f h ALA 477 Ca 0.24 -0.21 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 3n8f h ALA 477 Cb 0.13 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.91 3n8f h ALA 477 CO -0.03 0.29 -1.25 -0.22 0.00 0.00 0.00 179.25 178.04 3n8f h LYS 478 N 0.00 0.61 -0.32 0.00 1.63 -1.22 -2.99 116.57 114.29 3n8f h LYS 478 Ca -0.00 -0.82 -0.08 0.00 -0.85 0.00 0.00 60.65 58.90 3n8f h LYS 478 Cb 0.52 0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 3n8f h LYS 478 CO 0.03 1.37 -0.10 0.87 -3.45 0.00 0.00 179.45 178.18 3n8f h LYS 479 N 0.27 0.63 -0.63 1.90 1.57 -1.31 -1.93 116.57 117.07 3n8f h LYS 479 Ca -0.19 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 3n8f h LYS 479 Cb 1.92 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 34.17 3n8f h LYS 479 CO 0.24 0.82 0.26 -0.07 -0.57 0.00 0.00 179.45 180.13 3n8f h LEU 480 N 0.40 0.86 -0.34 2.94 3.38 -1.54 -2.81 115.31 118.19 3n8f h LEU 480 Ca 0.08 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 3n8f h LEU 480 Cb 0.60 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3n8f h LEU 480 CO 0.04 0.79 -0.33 -0.07 0.09 0.00 0.00 178.44 178.95 3n8f h LEU 481 N 0.87 0.88 -2.06 1.67 3.38 -1.54 0.13 115.31 118.64 3n8f h LEU 481 Ca 0.21 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.80 3n8f h LEU 481 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3n8f h LEU 481 CO -0.02 1.16 0.23 0.44 0.09 0.00 0.00 178.44 180.34 3n8f h ASP 482 N 0.60 0.00 0.28 -0.43 5.19 -1.24 2.32 116.42 123.15 3n8f h ASP 482 Ca 0.05 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.13 3n8f h ASP 482 Cb 0.91 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.39 3n8f h ASP 482 CO 0.08 0.00 -1.91 0.18 -3.12 0.00 0.00 179.24 174.47 3n8f n LEU 483 N -4.25 1.74 -0.01 1.55 4.77 -1.07 -4.54 117.00 115.19 3n8f n LEU 483 Ca 0.04 0.28 0.09 0.00 -0.03 0.00 0.00 56.01 56.39 3n8f n LEU 483 Cb 0.39 -0.46 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 3n8f n LEU 483 CO 0.33 0.63 -0.67 -1.22 -1.33 0.00 0.00 177.39 175.14 3n8f n TYR 484 N -3.24 0.00 0.00 -1.77 4.01 0.43 -4.07 117.16 112.51 3n8f n TYR 484 Ca -0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 3n8f n TYR 484 Cb 1.05 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 3n8f n TYR 484 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3n8f n LYS 485 N -2.09 0.00 -3.74 -0.72 4.76 0.78 -4.76 118.16 112.40 3n8f n LYS 485 Ca -0.03 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.27 3n8f n LYS 485 Cb 0.47 -2.65 -0.08 0.00 -1.84 0.00 0.00 35.03 30.93 3n8f n LYS 485 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3n8f s THR 486 N -0.28 0.05 0.16 -0.18 -1.32 -1.26 -4.98 115.64 107.83 3n8f s THR 486 Ca 0.00 -0.42 0.33 0.00 -1.21 0.00 0.00 61.69 60.39 3n8f s THR 486 Cb 0.00 -0.65 0.38 0.00 -1.51 0.00 0.00 72.50 70.71 3n8f s THR 486 CO 0.00 -0.23 2.00 -0.65 -2.21 0.00 0.00 174.62 173.53 3n8f h PRO 487 N 3.78 0.00 0.00 7.08 0.11 -1.82 -3.05 132.00 138.10 3n8f h PRO 487 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3n8f h PRO 487 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3n8f h PRO 487 CO 0.40 0.03 0.00 -0.44 -0.21 0.00 0.00 178.00 177.78 3n8f h ASP 488 N 0.00 0.00 -0.01 -2.05 3.32 -1.94 -3.14 116.42 112.61 3n8f h ASP 488 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n8f h ASP 488 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3n8f h ASP 488 CO 0.00 0.00 -0.38 0.59 -1.72 0.00 0.00 179.24 177.74 3n8f n ASN 489 N -2.53 1.60 -4.71 6.45 3.02 -1.15 -4.45 115.26 113.49 3n8f n ASN 489 Ca -0.01 -1.30 -0.42 0.00 -0.03 0.00 0.00 54.58 52.82 3n8f n ASN 489 Cb 0.12 0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.77 3n8f n ASN 489 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3n8f s ILE 490 N -1.99 3.61 0.29 2.41 -4.36 -1.18 -4.88 121.20 115.10 3n8f s ILE 490 Ca 0.13 1.12 -0.29 0.00 -0.26 0.00 0.00 60.65 61.34 3n8f s ILE 490 Cb 0.13 -3.72 -0.10 0.00 1.25 0.00 0.00 42.46 40.03 3n8f s ILE 490 CO 0.44 0.06 1.41 -1.81 0.24 0.00 0.00 174.94 175.27 3n8f s ASP 491 N 1.32 6.64 0.17 4.36 1.01 -1.26 -0.78 116.67 128.13 3n8f s ASP 491 Ca 0.63 2.73 -0.16 0.00 0.71 0.00 0.00 52.55 56.46 3n8f s ASP 491 Cb -0.33 -2.64 0.10 0.00 1.01 0.00 0.00 42.92 41.06 3n8f s ASP 491 CO 0.29 -0.67 1.69 0.40 0.21 0.00 0.00 175.17 177.08 3n8f h ILE 492 N 3.29 0.66 -0.89 0.77 2.04 -1.89 -1.05 117.51 120.44 3n8f h ILE 492 Ca -0.48 -0.02 0.16 0.00 1.00 0.00 0.00 64.86 65.52 3n8f h ILE 492 Cb 1.22 0.59 -0.16 0.00 -0.74 0.00 0.00 36.82 37.74 3n8f h ILE 492 CO 0.72 0.01 -0.32 -0.25 0.00 0.00 0.00 178.15 178.31 3n8f h TRP 493 N 0.06 -0.84 0.06 1.37 7.01 -1.91 1.03 115.95 122.73 3n8f h TRP 493 Ca 0.19 0.09 -0.24 0.00 2.11 0.00 0.00 58.89 61.04 3n8f h TRP 493 Cb 0.29 0.50 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 3n8f h TRP 493 CO -0.30 -0.40 -1.13 -0.84 -2.79 0.00 0.00 178.44 172.98 3n8f h ILE 494 N -0.03 1.59 -0.41 2.65 3.07 -1.91 -2.68 117.51 119.79 3n8f h ILE 494 Ca 0.36 -3.24 -0.06 0.00 1.55 0.00 0.00 64.86 63.47 3n8f h ILE 494 Cb 0.61 2.88 -0.02 0.00 -0.27 0.00 0.00 36.82 40.03 3n8f h ILE 494 CO -0.91 0.93 0.03 1.23 -1.05 0.00 0.00 178.15 178.38 3n8f h GLY 495 N 2.40 0.75 0.92 0.16 0.00 0.10 -1.04 103.07 106.36 3n8f h GLY 495 Ca -0.07 -0.53 -0.22 0.00 0.00 0.00 0.00 47.33 46.51 3n8f h GLY 495 CO 0.16 0.49 -0.91 -1.33 0.00 0.00 0.00 176.54 174.94 3n8f h GLY 496 N 0.54 0.51 2.00 4.60 0.00 0.72 -3.33 103.07 108.11 3n8f h GLY 496 Ca 0.12 -1.08 0.00 0.00 0.00 0.00 0.00 47.33 46.37 3n8f h GLY 496 CO 0.01 0.95 0.00 3.43 0.00 0.00 0.00 176.54 180.93 3n8f h ASN 497 N -0.05 0.00 1.70 0.19 -0.26 -1.47 -2.92 115.58 112.77 3n8f h ASN 497 Ca -0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.60 3n8f h ASN 497 Cb 1.65 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.91 3n8f h ASN 497 CO 0.17 0.00 -0.16 0.00 -1.06 0.00 0.00 177.43 176.39 3n8f h ALA 498 N 2.08 0.92 -2.89 -0.83 0.00 -1.30 -3.47 119.26 113.78 3n8f h ALA 498 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3n8f h ALA 498 Cb 0.51 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.45 3n8f h ALA 498 CO 0.00 0.00 0.46 -1.21 0.00 0.00 0.00 179.25 178.50 3n8f s GLU 499 N -3.20 2.45 0.46 0.00 2.02 -1.10 -4.88 118.70 114.45 3n8f s GLU 499 Ca 0.07 1.90 -0.22 0.00 0.02 0.00 0.00 54.97 56.75 3n8f s GLU 499 Cb 0.08 -1.85 -0.08 0.00 0.10 0.00 0.00 34.13 32.37 3n8f s GLU 499 CO 0.67 -1.63 1.06 -2.14 0.02 0.00 0.00 175.26 173.24 3n8f s PRO 500 N -3.58 3.87 0.33 0.39 0.02 -1.26 -4.79 135.00 129.98 3n8f s PRO 500 Ca 0.78 1.47 -0.28 0.00 0.02 0.00 0.00 61.00 63.00 3n8f s PRO 500 Cb -0.33 -2.26 -0.10 0.00 0.02 0.00 0.00 34.50 31.84 3n8f s PRO 500 CO 0.41 -0.39 1.20 -1.64 -0.33 0.00 0.00 177.00 176.24 3n8f s MET 501 N -2.95 4.39 1.29 5.54 -1.94 -1.26 -4.51 119.30 119.86 3n8f s MET 501 Ca 0.64 1.97 -0.17 0.00 -1.71 0.00 0.00 55.69 56.42 3n8f s MET 501 Cb -0.20 -3.02 0.33 0.00 2.01 0.00 0.00 34.83 33.95 3n8f s MET 501 CO 0.24 -0.07 0.98 0.14 -0.01 0.00 0.00 175.02 176.30 3n8f s VAL 502 N -1.22 1.67 -0.32 -6.03 -7.23 -0.35 -4.90 120.40 102.01 3n8f s VAL 502 Ca 0.49 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.37 3n8f s VAL 502 Cb -0.35 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.56 3n8f s VAL 502 CO 0.45 0.00 1.22 -0.70 -0.31 0.00 0.00 175.10 175.75 3n8f s GLU 503 N -4.68 3.94 0.00 4.82 2.12 -1.26 -3.30 118.70 120.34 3n8f s GLU 503 Ca 0.69 1.12 0.00 0.00 0.36 0.00 0.00 54.97 57.14 3n8f s GLU 503 Cb -0.21 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.35 3n8f s GLU 503 CO 0.62 -1.08 0.00 0.54 -0.54 0.00 0.00 175.26 174.80 3n8f n ARG 504 N 7.23 0.00 -0.93 4.30 1.74 -1.26 -0.02 116.66 127.73 3n8f n ARG 504 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3n8f n ARG 504 Cb 0.47 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3n8f n ARG 504 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3n8f n GLY 505 N -2.00 1.85 0.11 -0.13 0.00 -1.21 -4.08 105.19 99.73 3n8f n GLY 505 Ca 0.00 -2.11 0.01 0.00 0.00 0.00 0.00 46.02 43.91 3n8f n GLY 505 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n8f n ARG 506 N -0.96 0.51 -4.43 1.61 5.12 0.19 -4.75 116.66 113.96 3n8f n ARG 506 Ca 0.00 -0.86 -0.23 0.00 -1.93 0.00 0.00 57.85 54.83 3n8f n ARG 506 Cb 0.00 -0.63 -0.08 0.00 -1.16 0.00 0.00 32.46 30.59 3n8f n ARG 506 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3n8f s VAL 507 N -0.30 0.47 0.46 1.55 -7.23 -1.21 -4.99 120.40 109.15 3n8f s VAL 507 Ca 0.02 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.25 3n8f s VAL 507 Cb 0.01 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 3n8f s VAL 507 CO 0.00 0.00 0.23 -0.83 -0.31 0.00 0.00 175.10 174.19 3n8f s GLY 508 N -3.51 2.43 0.12 2.32 0.00 -1.26 -1.21 107.32 106.21 3n8f s GLY 508 Ca 0.30 -1.62 -0.15 0.00 0.00 0.00 0.00 44.72 43.25 3n8f s GLY 508 CO 0.17 -1.95 0.97 -1.05 0.00 0.00 0.00 173.10 171.25 3n8f n PRO 509 N -1.41 -0.20 0.05 2.90 -0.02 -1.26 0.59 135.00 135.64 3n8f n PRO 509 Ca -0.03 0.96 -0.13 0.00 -2.02 0.00 0.00 63.50 62.28 3n8f n PRO 509 Cb 0.65 -1.42 -0.02 0.00 -0.02 0.00 0.00 33.50 32.69 3n8f n PRO 509 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3n8f h LEU 510 N 0.00 0.57 -0.07 2.45 5.85 -1.96 -3.10 115.31 119.05 3n8f h LEU 510 Ca 0.17 -0.41 -0.24 0.00 0.84 0.00 0.00 57.88 58.23 3n8f h LEU 510 Cb 0.32 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.19 3n8f h LEU 510 CO -0.61 1.19 -1.05 0.25 -0.34 0.00 0.00 178.44 177.88 3n8f h LEU 511 N 0.29 0.52 -1.79 2.25 5.85 -0.93 -2.89 115.31 118.62 3n8f h LEU 511 Ca -0.06 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 3n8f h LEU 511 Cb 1.45 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 3n8f h LEU 511 CO 0.15 1.29 -0.13 0.00 -0.34 0.00 0.00 178.44 179.41 3n8f h ALA 512 N 0.67 1.20 0.31 1.25 0.00 0.05 -2.32 119.26 120.41 3n8f h ALA 512 Ca -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3n8f h ALA 512 Cb 1.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3n8f h ALA 512 CO 0.18 0.16 -0.15 0.00 0.00 0.00 0.00 179.25 179.44 3n8f h LEU 514 N -0.80 0.43 0.40 0.00 3.38 -1.52 0.13 115.31 117.33 3n8f h LEU 514 Ca -0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3n8f h LEU 514 Cb 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3n8f h LEU 514 CO 0.07 0.24 -0.19 -0.07 0.09 0.00 0.00 178.44 178.57 3n8f h LEU 515 N 0.47 -0.45 -1.63 1.67 3.38 -1.52 -3.13 115.31 114.09 3n8f h LEU 515 Ca 0.36 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 3n8f h LEU 515 Cb 0.74 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3n8f h LEU 515 CO -0.12 -0.03 0.04 1.23 0.09 0.00 0.00 178.44 179.65 3n8f h GLY 516 N -1.11 0.30 2.00 0.83 0.00 -1.23 -0.96 103.07 102.90 3n8f h GLY 516 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3n8f h GLY 516 CO 0.09 0.13 0.00 -2.13 0.00 0.00 0.00 176.54 174.63 3n8f n ARG 517 N -4.41 0.09 -0.13 4.80 0.63 0.44 -2.73 116.66 115.34 3n8f n ARG 517 Ca -0.00 0.26 -0.27 0.00 -0.92 0.00 0.00 57.85 56.93 3n8f n ARG 517 Cb 0.15 -1.65 -0.09 0.00 0.45 0.00 0.00 32.46 31.32 3n8f n ARG 517 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3n8f n GLN 518 N -1.81 0.55 0.26 -0.14 -0.06 -0.47 -4.26 117.38 111.46 3n8f n GLN 518 Ca 0.04 0.24 0.17 0.00 -2.00 0.00 0.00 57.00 55.45 3n8f n GLN 518 Cb 0.24 -1.43 0.92 0.00 -4.06 0.00 0.00 30.24 25.91 3n8f n GLN 518 CO 0.00 0.00 0.00 0.74 -0.20 0.00 0.00 177.06 177.60 3n8f h PHE 519 N -0.94 0.00 -0.04 3.69 0.04 -1.33 0.08 116.94 118.44 3n8f h PHE 519 Ca -0.62 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.13 3n8f h PHE 519 Cb 1.54 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.69 3n8f h PHE 519 CO -0.10 0.00 -0.05 0.37 -0.60 0.00 0.00 178.31 177.93 3n8f h GLN 520 N 0.00 0.11 -0.77 1.51 4.15 -1.75 -3.13 115.11 115.23 3n8f h GLN 520 Ca 0.04 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.43 3n8f h GLN 520 Cb 0.29 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 3n8f h GLN 520 CO -0.00 0.58 0.49 1.96 -1.93 0.00 0.00 178.83 179.93 3n8f h GLN 521 N -0.36 0.94 0.00 1.69 4.20 -1.17 0.88 115.11 121.29 3n8f h GLN 521 Ca 0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3n8f h GLN 521 Cb 0.56 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3n8f h GLN 521 CO 0.01 0.62 -0.10 -0.84 -0.67 0.00 0.00 178.83 177.85 3n8f h ILE 522 N 0.97 0.33 0.00 2.54 3.07 -1.55 0.24 117.51 123.11 3n8f h ILE 522 Ca 0.30 -0.65 -0.17 0.00 1.55 0.00 0.00 64.86 65.89 3n8f h ILE 522 Cb -0.02 1.49 -0.03 0.00 -0.27 0.00 0.00 36.82 37.99 3n8f h ILE 522 CO -0.10 0.10 -0.98 -0.09 -1.05 0.00 0.00 178.15 176.03 3n8f h ARG 523 N 0.00 0.00 0.00 0.16 2.43 -1.26 -3.31 114.38 112.40 3n8f h ARG 523 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3n8f h ARG 523 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3n8f h ARG 523 CO 0.01 0.84 0.00 -0.25 -1.51 0.00 0.00 179.97 179.07 3n8f n ASP 524 N -4.49 0.53 -0.57 -3.80 8.00 0.30 -3.06 116.55 113.46 3n8f n ASP 524 Ca -0.25 0.63 0.07 0.00 0.71 0.00 0.00 54.79 55.95 3n8f n ASP 524 Cb 0.59 -0.74 0.20 0.00 -0.02 0.00 0.00 41.12 41.14 3n8f n ASP 524 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3n8f n GLY 525 N 0.03 4.61 3.09 0.44 0.00 0.82 -1.84 105.19 112.34 3n8f n GLY 525 Ca 0.02 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 3n8f n GLY 525 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n8f s ASP 526 N -2.53 5.05 0.65 1.61 -1.08 -1.17 -4.71 116.67 114.48 3n8f s ASP 526 Ca 0.38 -2.00 0.32 0.00 -0.52 0.00 0.00 52.55 50.73 3n8f s ASP 526 Cb 0.33 -1.75 1.77 0.00 -1.46 0.00 0.00 42.92 41.82 3n8f s ASP 526 CO 0.04 -0.46 2.03 -0.09 0.52 0.00 0.00 175.17 177.21 3n8f h ARG 527 N 7.89 0.00 -0.38 4.34 2.43 -1.90 -0.74 114.38 126.02 3n8f h ARG 527 Ca -0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3n8f h ARG 527 Cb 1.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3n8f h ARG 527 CO 0.62 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 180.27 3n8f n PHE 528 N -3.17 0.71 -1.69 2.20 3.01 -1.26 -4.90 117.46 112.36 3n8f n PHE 528 Ca -0.01 -0.59 -0.44 0.00 1.01 0.00 0.00 57.45 57.42 3n8f n PHE 528 Cb 0.34 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 3n8f n PHE 528 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 3n8f n TRP 529 N 0.42 2.43 -0.23 1.38 -0.00 -0.29 -4.88 117.44 116.27 3n8f n TRP 529 Ca 0.16 0.26 0.03 0.00 -0.00 0.00 0.00 57.50 57.95 3n8f n TRP 529 Cb 0.59 -2.56 0.15 0.00 -0.00 0.00 0.00 31.31 29.49 3n8f n TRP 529 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 177.69 177.80 3n8f h TRP 530 N 5.53 0.36 0.00 5.87 5.08 -1.94 -0.46 115.95 130.39 3n8f h TRP 530 Ca -0.45 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.56 3n8f h TRP 530 Cb 1.24 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 3n8f h TRP 530 CO 0.61 0.01 0.00 0.39 -1.28 0.00 0.00 178.44 178.17 3n8f n GLU 531 N -5.07 0.17 -2.04 0.12 1.02 -1.26 -4.32 120.64 109.27 3n8f n GLU 531 Ca 0.12 0.43 -0.42 0.00 -0.02 0.00 0.00 57.16 57.27 3n8f n GLU 531 Cb 0.38 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 3n8f n GLU 531 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3n8f s ASN 532 N -4.11 6.69 0.56 1.62 2.47 -0.18 -4.98 114.94 117.01 3n8f s ASN 532 Ca 0.04 2.56 -0.21 0.00 0.42 0.00 0.00 52.86 55.67 3n8f s ASN 532 Cb 0.09 -2.61 -0.04 0.00 -1.45 0.00 0.00 41.25 37.24 3n8f s ASN 532 CO 0.36 -0.71 1.29 -2.84 -3.72 0.00 0.00 177.10 171.47 3n8f s PRO 533 N 0.43 3.09 0.00 0.43 0.02 -1.26 -3.24 135.00 134.46 3n8f s PRO 533 Ca 0.64 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.70 3n8f s PRO 533 Cb -0.41 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 31.98 3n8f s PRO 533 CO 0.36 -1.17 0.00 0.41 -0.33 0.00 0.00 177.00 176.27 3n8f n GLY 534 N 0.67 2.88 0.42 0.52 0.00 -1.26 -4.88 105.19 103.54 3n8f n GLY 534 Ca 0.12 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 3n8f n GLY 534 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3n8f h VAL 535 N 0.00 0.05 -3.93 1.61 2.07 -1.85 -3.44 116.25 110.77 3n8f h VAL 535 Ca 0.00 -0.23 -0.65 0.00 0.82 0.00 0.00 66.70 66.65 3n8f h VAL 535 Cb 0.00 0.07 -0.22 0.00 -1.52 0.00 0.00 31.29 29.62 3n8f h VAL 535 CO 0.00 0.01 -0.86 -0.36 0.02 0.00 0.00 177.57 176.38 3n8f s PHE 536 N -5.06 2.14 0.62 1.57 0.40 -1.26 -5.10 117.98 111.29 3n8f s PHE 536 Ca -0.16 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 55.61 3n8f s PHE 536 Cb 0.02 -1.17 -0.02 0.00 0.51 0.00 0.00 43.02 42.36 3n8f s PHE 536 CO 0.48 0.29 1.14 0.95 0.70 0.00 0.00 175.22 178.79 3n8f s THR 537 N -1.08 3.00 0.46 0.64 -4.23 -1.26 -4.80 115.64 108.38 3n8f s THR 537 Ca 0.11 0.55 0.22 0.00 -1.18 0.00 0.00 61.69 61.40 3n8f s THR 537 Cb -0.10 -3.13 0.41 0.00 1.34 0.00 0.00 72.50 71.02 3n8f s THR 537 CO 0.05 -0.21 1.88 -0.08 -0.54 0.00 0.00 174.62 175.72 3n8f h GLU 538 N 0.53 0.24 -0.30 3.99 4.81 -2.00 0.15 114.58 122.01 3n8f h GLU 538 Ca -0.49 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 3n8f h GLU 538 Cb 1.27 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3n8f h GLU 538 CO 0.55 0.16 0.12 0.87 -0.73 0.00 0.00 179.01 179.98 3n8f h LYS 539 N 0.25 0.45 -0.37 1.92 1.79 -1.96 -3.07 116.57 115.57 3n8f h LYS 539 Ca 0.43 -0.08 -0.07 0.00 -2.18 0.00 0.00 60.65 58.76 3n8f h LYS 539 Cb 1.30 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 3n8f h LYS 539 CO -0.11 0.46 -0.04 1.96 -1.08 0.00 0.00 179.45 180.64 3n8f h GLN 540 N 0.33 0.61 -0.31 3.15 4.20 -1.04 -3.23 115.11 118.83 3n8f h GLN 540 Ca 0.10 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 3n8f h GLN 540 Cb 0.18 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3n8f h GLN 540 CO -0.01 0.67 -0.03 0.00 -0.67 0.00 0.00 178.83 178.79 3n8f h ARG 541 N 0.58 0.56 0.00 1.46 3.08 -1.25 -2.64 114.38 116.16 3n8f h ARG 541 Ca 0.11 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3n8f h ARG 541 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3n8f h ARG 541 CO 0.02 0.72 0.00 -0.25 -1.07 0.00 0.00 179.97 179.39 3n8f n ASP 542 N -4.52 0.00 -0.12 7.04 8.00 -1.17 -1.58 116.55 124.20 3n8f n ASP 542 Ca -0.03 -0.39 -0.17 0.00 0.71 0.00 0.00 54.79 54.92 3n8f n ASP 542 Cb 0.29 -0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 41.25 3n8f n ASP 542 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3n8f n SER 543 N -1.02 1.78 0.27 -2.24 7.64 -1.06 -4.47 113.62 114.53 3n8f n SER 543 Ca 0.10 -0.12 0.17 0.00 1.01 0.00 0.00 58.87 60.03 3n8f n SER 543 Cb 0.05 -0.24 0.68 0.00 -1.01 0.00 0.00 64.21 63.69 3n8f n SER 543 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3n8f h LEU 544 N 0.00 0.00 -1.69 -3.43 3.38 -0.95 -2.38 115.31 110.24 3n8f h LEU 544 Ca -0.57 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 3n8f h LEU 544 Cb 1.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 3n8f h LEU 544 CO -0.07 0.00 -0.14 1.56 0.09 0.00 0.00 178.44 179.88 3n8f h GLN 545 N 0.00 0.00 0.00 1.13 4.20 -1.61 -3.21 115.11 115.61 3n8f h GLN 545 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3n8f h GLN 545 Cb 0.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3n8f h GLN 545 CO 0.00 0.14 -0.94 0.87 -0.67 0.00 0.00 178.83 178.23 3n8f h LYS 546 N 0.00 0.00 -7.16 1.46 1.57 -1.68 -3.47 116.57 107.29 3n8f h LYS 546 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3n8f h LYS 546 Cb 0.46 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.94 3n8f h LYS 546 CO 0.02 0.15 0.42 0.14 -0.57 0.00 0.00 179.45 179.61 3n8f s VAL 547 N -3.15 2.03 0.10 0.50 -7.23 -1.22 -4.81 120.40 106.61 3n8f s VAL 547 Ca 0.00 0.01 -0.21 0.00 -1.81 0.00 0.00 61.98 59.97 3n8f s VAL 547 Cb 0.08 -2.69 0.05 0.00 0.56 0.00 0.00 36.38 34.39 3n8f s VAL 547 CO 0.78 -0.01 0.53 -0.94 -0.31 0.00 0.00 175.10 175.15 3n8f s SER 548 N -1.80 -0.44 0.42 4.85 1.04 -1.26 -4.95 113.70 111.55 3n8f s SER 548 Ca 0.78 0.02 0.09 0.00 0.48 0.00 0.00 55.95 57.32 3n8f s SER 548 Cb -0.33 0.53 0.89 0.00 0.10 0.00 0.00 66.02 67.21 3n8f s SER 548 CO 0.46 -0.83 2.02 0.15 0.98 0.00 0.00 173.24 176.01 3n8f h PHE 549 N 2.42 0.35 -0.65 5.02 3.57 -1.96 -0.92 116.94 124.78 3n8f h PHE 549 Ca -0.32 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.31 3n8f h PHE 549 Cb 1.25 -0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.77 3n8f h PHE 549 CO 0.31 0.30 -0.00 0.77 -2.23 0.00 0.00 178.31 177.46 3n8f h SER 550 N 0.36 -0.30 -0.10 0.41 0.02 -1.85 -2.57 113.55 109.52 3n8f h SER 550 Ca 0.09 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3n8f h SER 550 Cb 0.11 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3n8f h SER 550 CO -0.01 -0.13 -0.03 -0.09 -1.14 0.00 0.00 176.83 175.44 3n8f h ARG 551 N 0.11 0.20 -0.93 3.45 9.65 -1.51 -3.11 114.38 122.24 3n8f h ARG 551 Ca 0.35 -0.08 0.27 0.00 -1.10 0.00 0.00 59.98 59.42 3n8f h ARG 551 Cb 0.57 -0.01 -0.16 0.00 -1.39 0.00 0.00 29.97 28.98 3n8f h ARG 551 CO -0.57 0.51 0.23 1.25 2.80 0.00 0.00 179.97 184.20 3n8f h LEU 552 N -0.13 -0.07 -1.80 3.80 5.85 -1.01 0.23 115.31 122.19 3n8f h LEU 552 Ca 0.03 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3n8f h LEU 552 Cb 0.44 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3n8f h LEU 552 CO 0.01 -0.25 0.00 2.30 -0.34 0.00 0.00 178.44 180.16 3n8f n ILE 553 N -5.30 0.82 -0.09 4.05 -5.35 -1.01 -2.72 119.36 109.77 3n8f n ILE 553 Ca 0.25 -0.63 -0.15 0.00 -0.27 0.00 0.00 62.75 61.95 3n8f n ILE 553 Cb 0.80 0.13 -0.08 0.00 -1.74 0.00 0.00 39.64 38.75 3n8f n ILE 553 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n8f n ASP 555 N -3.27 0.00 0.00 0.00 8.00 -0.64 -4.07 116.55 116.57 3n8f n ASP 555 Ca -0.33 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.41 3n8f n ASP 555 Cb 0.82 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 3n8f n ASP 555 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3n8f n ASN 556 N -1.40 0.16 -0.85 -2.24 3.02 -1.10 -5.01 115.26 107.85 3n8f n ASN 556 Ca 0.07 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 3n8f n ASN 556 Cb 0.21 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 3n8f n ASN 556 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3n8f n THR 557 N -0.01 0.00 -1.41 3.41 -1.04 -1.25 -4.99 114.28 108.98 3n8f n THR 557 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 3n8f n THR 557 Cb 0.26 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.97 3n8f n THR 557 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3n8f n HIS 558 N 0.00 0.39 -3.14 -1.42 8.25 -1.26 -4.86 115.22 113.19 3n8f n HIS 558 Ca 0.00 -1.39 -0.39 0.00 -0.26 0.00 0.00 57.72 55.68 3n8f n HIS 558 Cb 0.00 -0.31 -0.06 0.00 1.12 0.00 0.00 29.99 30.74 3n8f n HIS 558 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3n8f s ILE 559 N -3.14 4.57 -0.11 1.59 1.01 -1.26 -4.97 121.20 118.89 3n8f s ILE 559 Ca 0.39 1.44 0.14 0.00 0.00 0.00 0.00 60.65 62.62 3n8f s ILE 559 Cb 0.36 -4.01 0.28 0.00 0.01 0.00 0.00 42.46 39.10 3n8f s ILE 559 CO -0.02 0.54 1.14 0.35 0.00 0.00 0.00 174.94 176.95 3n8f n THR 560 N 1.70 1.39 -3.69 2.92 -2.24 -1.26 -4.74 114.28 108.36 3n8f n THR 560 Ca -0.08 -1.93 -0.15 0.00 -2.27 0.00 0.00 64.05 59.61 3n8f n THR 560 Cb 0.50 0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.62 3n8f n THR 560 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3n8f s LYS 561 N -2.09 0.06 -0.04 -0.78 -0.14 -1.26 -3.39 119.74 112.10 3n8f s LYS 561 Ca 0.27 0.52 -0.16 0.00 -1.36 0.00 0.00 55.97 55.24 3n8f s LYS 561 Cb 0.26 -0.23 0.03 0.00 -1.68 0.00 0.00 37.83 36.21 3n8f s LYS 561 CO -0.02 -0.26 0.36 0.14 -0.76 0.00 0.00 175.35 174.81 3n8f s VAL 562 N 1.94 0.04 0.70 3.17 -7.23 -0.26 -4.88 120.40 113.88 3n8f s VAL 562 Ca -0.01 -0.34 -0.11 0.00 -1.81 0.00 0.00 61.98 59.70 3n8f s VAL 562 Cb -0.12 -0.64 0.01 0.00 0.56 0.00 0.00 36.38 36.20 3n8f s VAL 562 CO -0.06 -0.19 1.09 -2.16 -0.31 0.00 0.00 175.10 173.47 3n8f s PRO 563 N -1.04 2.87 -0.12 4.82 0.04 -1.26 -1.43 135.00 138.88 3n8f s PRO 563 Ca -0.11 0.53 -0.28 0.00 0.04 0.00 0.00 61.00 61.18 3n8f s PRO 563 Cb -0.04 -2.02 -0.24 0.00 0.04 0.00 0.00 34.50 32.24 3n8f s PRO 563 CO 0.04 -1.04 0.82 -0.07 0.04 0.00 0.00 177.00 176.79 3n8f h LEU 564 N -0.66 -0.00 -8.03 -3.56 3.38 -1.96 -3.41 115.31 101.07 3n8f h LEU 564 Ca -0.45 -0.90 -0.75 0.00 0.09 0.00 0.00 57.88 55.87 3n8f h LEU 564 Cb 1.25 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.76 3n8f h LEU 564 CO 0.63 0.91 -0.01 -1.00 0.09 0.00 0.00 178.44 179.06 3n8f s HIS 565 N -2.49 3.34 -2.07 1.13 3.76 -1.26 -4.74 115.29 112.96 3n8f s HIS 565 Ca -0.18 -1.43 0.14 0.00 -0.15 0.00 0.00 55.06 53.44 3n8f s HIS 565 Cb -0.02 -3.87 0.70 0.00 1.11 0.00 0.00 32.58 30.50 3n8f s HIS 565 CO 0.67 -1.09 1.47 0.00 -0.85 0.00 0.00 174.74 174.94 3n8f n ALA 566 N 5.17 2.55 0.01 -1.40 0.00 -1.26 -3.60 120.51 121.97 3n8f n ALA 566 Ca -0.03 -0.24 0.09 0.00 0.00 0.00 0.00 53.44 53.25 3n8f n ALA 566 Cb 0.43 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 3n8f n ALA 566 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3n8f n PHE 567 N -0.32 0.00 -3.25 0.00 3.72 -1.26 -4.74 117.46 111.61 3n8f n PHE 567 Ca 0.11 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.29 3n8f n PHE 567 Cb 0.14 -0.38 -0.00 0.00 -0.94 0.00 0.00 39.48 38.30 3n8f n PHE 567 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3n8f s GLN 568 N -3.18 3.22 0.15 -1.08 -2.07 -1.24 -2.30 119.66 113.16 3n8f s GLN 568 Ca -0.06 -0.56 -0.31 0.00 -1.82 0.00 0.00 55.36 52.60 3n8f s GLN 568 Cb 0.11 -2.66 -0.10 0.00 -1.09 0.00 0.00 33.01 29.27 3n8f s GLN 568 CO 0.71 -0.05 1.70 0.00 -1.32 0.00 0.00 175.29 176.33 3n8f s ALA 569 N -2.38 3.81 0.19 2.60 0.00 -1.21 -3.94 121.76 120.83 3n8f s ALA 569 Ca 0.44 1.43 0.09 0.00 0.00 0.00 0.00 51.96 53.92 3n8f s ALA 569 Cb -0.10 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 3n8f s ALA 569 CO 0.35 -0.99 -0.10 -0.80 0.00 0.00 0.00 175.76 174.22 3n8f s ASN 570 N 1.77 4.18 -0.39 0.00 0.01 -1.26 -4.92 114.94 114.34 3n8f s ASN 570 Ca 0.75 -0.62 0.01 0.00 -0.71 0.00 0.00 52.86 52.28 3n8f s ASN 570 Cb -0.45 -0.68 0.13 0.00 0.41 0.00 0.00 41.25 40.66 3n8f s ASN 570 CO 0.33 0.09 0.19 0.21 -1.51 0.00 0.00 177.10 176.42 3n8f s ASN 571 N -2.90 3.62 0.27 -1.22 3.84 -1.26 -4.84 114.94 112.44 3n8f s ASN 571 Ca 0.25 -2.26 -0.30 0.00 0.21 0.00 0.00 52.86 50.76 3n8f s ASN 571 Cb -0.08 -0.86 -0.10 0.00 -0.55 0.00 0.00 41.25 39.66 3n8f s ASN 571 CO 0.15 -0.32 1.43 -0.47 -2.79 0.00 0.00 177.10 175.10 3n8f s TYR 572 N 0.85 2.99 -0.16 0.43 5.04 -1.26 -2.27 117.35 122.97 3n8f s TYR 572 Ca 0.15 1.09 0.19 0.00 -2.44 0.00 0.00 57.07 56.06 3n8f s TYR 572 Cb -0.22 -3.82 -0.09 0.00 0.35 0.00 0.00 41.96 38.18 3n8f s TYR 572 CO -0.07 -2.58 0.90 -0.35 -1.34 0.00 0.00 175.55 172.11 3n8f n PRO 573 N 1.95 0.62 0.04 4.97 -0.05 -1.26 -4.96 135.00 136.30 3n8f n PRO 573 Ca 0.05 0.19 -0.10 0.00 -0.05 0.00 0.00 63.50 63.59 3n8f n PRO 573 Cb 0.40 -1.82 -0.04 0.00 -0.05 0.00 0.00 33.50 32.00 3n8f n PRO 573 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 3n8f h HIS 574 N 0.00 -0.45 0.00 0.54 2.76 -1.91 -2.06 115.15 114.03 3n8f h HIS 574 Ca -0.11 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 3n8f h HIS 574 Cb 1.40 0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.56 3n8f h HIS 574 CO 0.00 -0.25 0.00 -0.25 -1.30 0.00 0.00 177.93 176.13 3n8f n ASP 575 N -5.31 0.15 -4.81 3.26 8.00 -1.10 -4.67 116.55 112.08 3n8f n ASP 575 Ca -0.04 0.56 -0.37 0.00 0.71 0.00 0.00 54.79 55.64 3n8f n ASP 575 Cb 0.22 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.68 3n8f n ASP 575 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3n8f s PHE 576 N -3.12 3.59 0.11 1.24 0.40 -0.78 -4.13 117.98 115.29 3n8f s PHE 576 Ca 0.02 0.72 0.03 0.00 -0.60 0.00 0.00 56.93 57.10 3n8f s PHE 576 Cb 0.04 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.31 3n8f s PHE 576 CO 0.14 0.51 -0.09 0.14 0.70 0.00 0.00 175.22 176.62 3n8f s VAL 577 N -0.46 0.91 0.50 -0.44 -7.23 -0.51 -4.86 120.40 108.30 3n8f s VAL 577 Ca 0.19 -1.85 -0.23 0.00 -1.81 0.00 0.00 61.98 58.28 3n8f s VAL 577 Cb -0.14 -1.59 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 3n8f s VAL 577 CO 0.07 -0.72 1.30 -0.62 -0.31 0.00 0.00 175.10 174.82 3n8f s ASP 578 N -2.83 5.70 0.65 4.85 2.15 -1.26 -1.10 116.67 124.83 3n8f s ASP 578 Ca 0.10 2.62 0.34 0.00 0.43 0.00 0.00 52.55 56.04 3n8f s ASP 578 Cb 0.01 -2.63 1.84 0.00 -0.30 0.00 0.00 42.92 41.84 3n8f s ASP 578 CO -0.01 -1.27 2.07 0.00 -0.17 0.00 0.00 175.17 175.79 3n8f h SER 580 N 0.00 0.25 0.86 0.00 4.64 -1.90 -2.85 113.55 114.55 3n8f h SER 580 Ca 0.03 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3n8f h SER 580 Cb 0.49 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3n8f h SER 580 CO -0.00 0.37 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 3n8f n ALA 581 N -2.49 1.86 -2.82 5.18 0.00 0.08 -4.79 120.51 117.53 3n8f n ALA 581 Ca -0.00 0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3n8f n ALA 581 Cb 0.24 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 3n8f n ALA 581 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3n8f s VAL 582 N -3.16 4.92 0.31 0.00 -7.23 -1.08 -5.08 120.40 109.08 3n8f s VAL 582 Ca 0.07 -0.43 -0.29 0.00 -1.81 0.00 0.00 61.98 59.52 3n8f s VAL 582 Cb 0.11 -3.30 -0.10 0.00 0.56 0.00 0.00 36.38 33.64 3n8f s VAL 582 CO 0.42 0.27 1.39 -1.81 -0.31 0.00 0.00 175.10 175.07 3n8f s ASP 583 N -2.01 6.64 0.33 4.85 1.01 -1.26 -5.03 116.67 121.19 3n8f s ASP 583 Ca 0.27 2.76 -0.03 0.00 0.71 0.00 0.00 52.55 56.25 3n8f s ASP 583 Cb -0.12 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 3n8f s ASP 583 CO 0.18 -0.67 0.58 -0.54 0.21 0.00 0.00 175.17 174.93 3n8f s LYS 584 N -1.32 3.57 -0.33 8.23 1.02 -1.26 -4.81 119.74 124.84 3n8f s LYS 584 Ca 0.54 -0.09 -0.29 0.00 0.02 0.00 0.00 55.97 56.15 3n8f s LYS 584 Cb -0.42 -2.62 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 3n8f s LYS 584 CO 0.51 0.15 1.09 -1.17 -0.92 0.00 0.00 175.35 175.00 3n8f s LEU 585 N -3.94 3.92 -0.45 3.17 2.96 -1.26 -4.84 118.68 118.24 3n8f s LEU 585 Ca 0.43 1.03 -0.25 0.00 -0.22 0.00 0.00 54.13 55.12 3n8f s LEU 585 Cb -0.10 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.07 3n8f s LEU 585 CO 0.34 -0.91 0.90 -0.62 -1.32 0.00 0.00 176.35 174.74 3n8f s ASP 586 N 1.73 6.51 0.00 3.68 -1.08 -1.26 -4.92 116.67 121.32 3n8f s ASP 586 Ca 0.46 0.15 0.19 0.00 -0.52 0.00 0.00 52.55 52.82 3n8f s ASP 586 Cb -0.12 -2.44 0.53 0.00 -1.46 0.00 0.00 42.92 39.43 3n8f s ASP 586 CO 0.16 -1.00 1.43 0.18 0.52 0.00 0.00 175.17 176.46 3n8f n LEU 587 N 7.04 2.49 -0.10 -1.34 4.77 -1.26 -4.44 117.00 124.17 3n8f n LEU 587 Ca 0.06 -1.15 -0.02 0.00 -0.03 0.00 0.00 56.01 54.86 3n8f n LEU 587 Cb 0.48 -0.24 0.21 0.00 -2.33 0.00 0.00 43.42 41.55 3n8f n LEU 587 CO 0.62 0.58 0.97 0.77 -1.33 0.00 0.00 177.39 179.00 3n8f h SER 588 N 2.99 0.71 0.14 -1.43 4.64 -1.99 -2.66 113.55 115.94 3n8f h SER 588 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3n8f h SER 588 Cb 0.67 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3n8f h SER 588 CO 0.00 0.72 0.00 -2.65 -0.87 0.00 0.00 176.83 174.03 3n8f n PRO 589 N -4.28 0.12 0.00 4.77 -0.02 -1.26 -0.42 135.00 133.91 3n8f n PRO 589 Ca 0.03 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.84 3n8f n PRO 589 Cb 0.23 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.49 3n8f n PRO 589 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3n8f n TRP 590 N -1.27 0.00 -2.20 6.00 8.01 -1.00 -4.76 117.44 122.21 3n8f n TRP 590 Ca 0.04 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.81 3n8f n TRP 590 Cb 0.06 -0.15 -0.03 0.00 -2.01 0.00 0.00 31.31 29.18 3n8f n TRP 590 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3n8f s ALA 591 N -2.68 3.53 -0.27 6.99 0.00 0.44 -4.94 121.76 124.83 3n8f s ALA 591 Ca 0.19 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.27 3n8f s ALA 591 Cb 0.18 -3.49 0.15 0.00 0.00 0.00 0.00 23.12 19.97 3n8f s ALA 591 CO 0.60 -0.55 0.42 0.45 0.00 0.00 0.00 175.76 176.68 3n8f s SER 592 N 0.34 0.12 0.48 0.00 0.15 -1.26 -5.10 113.70 108.43 3n8f s SER 592 Ca 0.57 -0.02 0.07 0.00 0.70 0.00 0.00 55.95 57.26 3n8f s SER 592 Cb -0.37 1.22 0.01 0.00 -1.71 0.00 0.00 66.02 65.17 3n8f s SER 592 CO 0.39 -0.32 0.39 -0.13 1.20 0.00 0.00 173.24 174.77 3n8f s ARG 593 N 2.58 2.37 -0.02 5.44 0.52 -1.26 -4.92 118.95 123.66 3n8f s ARG 593 Ca 0.12 -1.77 -0.14 0.00 -0.52 0.00 0.00 55.73 53.41 3n8f s ARG 593 Cb -0.14 -2.24 -0.08 0.00 0.52 0.00 0.00 34.95 33.02 3n8f s ARG 593 CO -0.24 -0.40 0.66 0.93 0.02 0.00 0.00 175.30 176.27 3n8f h GLU 594 N 0.91 -0.48 -0.00 3.54 4.39 -2.03 -3.56 114.58 117.34 3n8f h GLU 594 Ca -0.39 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.34 3n8f h GLU 594 Cb 1.28 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 3n8f h GLU 594 CO 0.58 -0.32 0.00 0.09 -1.16 0.00 0.00 179.01 178.19