#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2f n ASP 3 N 0.00 3.11 0.00 4.52 9.92 -1.26 -0.63 116.55 132.21 3i2f n ASP 3 Ca 0.00 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.35 3i2f n ASP 3 Cb 0.00 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.04 3i2f n ASP 3 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i2f n GLY 4 N 3.27 3.38 3.86 0.44 0.00 -1.18 -5.08 105.19 109.89 3i2f n GLY 4 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3i2f n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2f s ASN 5 N -0.91 6.03 0.26 1.61 0.01 0.20 -4.64 114.94 117.49 3i2f s ASN 5 Ca 0.00 0.15 -0.17 0.00 -0.71 0.00 0.00 52.86 52.12 3i2f s ASN 5 Cb 0.00 -1.76 0.01 0.00 0.41 0.00 0.00 41.25 39.91 3i2f s ASN 5 CO 0.00 0.16 0.61 -0.72 -1.51 0.00 0.00 177.10 175.64 3i2f s TYR 6 N -1.49 0.05 0.16 2.20 1.13 -1.26 -1.43 117.35 116.70 3i2f s TYR 6 Ca 0.33 -0.46 0.05 0.00 -1.41 0.00 0.00 57.07 55.58 3i2f s TYR 6 Cb -0.12 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.16 3i2f s TYR 6 CO 0.26 -1.12 -0.12 -1.54 -2.51 0.00 0.00 175.55 170.52 3i2f s SER 7 N -2.96 2.02 -0.10 -0.18 1.04 -0.46 -4.90 113.70 108.15 3i2f s SER 7 Ca 0.16 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.61 3i2f s SER 7 Cb -0.03 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.06 3i2f s SER 7 CO 0.07 -0.27 -0.10 -0.69 0.98 0.00 0.00 173.24 173.23 3i2f s VAL 8 N -3.08 1.17 -0.19 5.02 1.01 -1.25 -1.34 120.40 121.74 3i2f s VAL 8 Ca 0.17 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3i2f s VAL 8 Cb 0.01 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3i2f s VAL 8 CO 0.02 0.38 -0.03 0.00 0.00 0.00 0.00 175.10 175.48 3i2f s ALA 9 N 1.34 2.94 -0.07 5.51 0.00 -0.40 -4.94 121.76 126.14 3i2f s ALA 9 Ca -0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 3i2f s ALA 9 Cb -0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 3i2f s ALA 9 CO -0.05 -0.07 0.22 -1.12 0.00 0.00 0.00 175.76 174.74 3i2f s SER 10 N 0.86 6.48 -1.37 0.00 0.01 -1.26 -0.53 113.70 117.90 3i2f s SER 10 Ca -0.00 0.57 -0.09 0.00 1.31 0.00 0.00 55.95 57.73 3i2f s SER 10 Cb -0.14 -2.10 0.02 0.00 0.21 0.00 0.00 66.02 64.00 3i2f s SER 10 CO 0.02 0.35 1.16 0.59 0.41 0.00 0.00 173.24 175.76 3i2f n ASN 11 N 1.70 -5.97 -4.69 2.44 3.02 -0.69 -4.96 115.26 106.12 3i2f n ASN 11 Ca -0.17 -0.57 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 3i2f n ASN 11 Cb 0.54 -4.92 -0.03 0.00 -0.61 0.00 0.00 39.78 34.77 3i2f n ASN 11 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i2f s VAL 12 N -3.32 4.04 -0.31 2.41 1.01 -0.12 -4.77 120.40 119.33 3i2f s VAL 12 Ca 0.56 1.38 -0.17 0.00 0.00 0.00 0.00 61.98 63.75 3i2f s VAL 12 Cb -0.25 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 3i2f s VAL 12 CO 0.74 -0.01 0.48 -0.04 0.00 0.00 0.00 175.10 176.28 3i2f s MET 13 N 2.39 3.83 -0.22 2.72 1.00 -1.26 -1.26 119.30 126.50 3i2f s MET 13 Ca 0.59 0.02 -0.05 0.00 0.00 0.00 0.00 55.69 56.24 3i2f s MET 13 Cb -0.27 -3.73 -0.02 0.00 0.00 0.00 0.00 34.83 30.80 3i2f s MET 13 CO 0.23 -0.49 0.01 0.08 0.00 0.00 0.00 175.02 174.85 3i2f s VAL 14 N 2.30 3.87 0.23 -6.03 1.01 0.48 -4.89 120.40 117.37 3i2f s VAL 14 Ca 0.19 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.56 3i2f s VAL 14 Cb -0.16 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.37 3i2f s VAL 14 CO 0.11 0.40 0.87 -2.16 0.00 0.00 0.00 175.10 174.33 3i2f s PRO 15 N 1.34 4.69 0.48 2.72 0.04 -1.26 -0.52 135.00 142.49 3i2f s PRO 15 Ca 0.04 1.32 0.04 0.00 0.04 0.00 0.00 61.00 62.44 3i2f s PRO 15 Cb -0.15 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.23 3i2f s PRO 15 CO 0.01 0.50 0.67 -1.64 0.04 0.00 0.00 177.00 176.58 3i2f s MET 16 N -1.33 2.76 0.49 4.56 -1.94 -0.08 -4.87 119.30 118.89 3i2f s MET 16 Ca 0.41 -0.89 0.28 0.00 -1.71 0.00 0.00 55.69 53.78 3i2f s MET 16 Cb -0.23 -2.61 1.37 0.00 2.01 0.00 0.00 34.83 35.37 3i2f s MET 16 CO 0.28 -0.45 1.84 0.07 -0.01 0.00 0.00 175.02 176.76 3i2f h ARG 17 N 0.36 0.13 -0.26 2.03 0.11 -1.91 -0.32 114.38 114.52 3i2f h ARG 17 Ca -0.42 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.65 3i2f h ARG 17 Cb 1.28 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.33 3i2f h ARG 17 CO 0.51 0.09 0.00 -0.40 0.10 0.00 0.00 179.97 180.27 3i2f n ASP 18 N -4.35 1.97 0.00 0.08 5.75 -1.26 -4.94 116.55 113.80 3i2f n ASP 18 Ca 0.22 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 3i2f n ASP 18 Cb 0.98 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 3i2f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2f n GLY 19 N 1.16 2.35 3.75 6.12 0.00 -0.13 -5.04 105.19 113.41 3i2f n GLY 19 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3i2f n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2f s VAL 20 N -2.33 3.24 -0.16 1.61 1.01 -1.26 -4.69 120.40 117.82 3i2f s VAL 20 Ca 0.00 1.17 -0.06 0.00 0.00 0.00 0.00 61.98 63.09 3i2f s VAL 20 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3i2f s VAL 20 CO 0.00 0.25 0.05 -0.13 0.00 0.00 0.00 175.10 175.27 3i2f s ARG 21 N -1.14 3.78 -0.10 2.72 0.52 -1.26 -0.90 118.95 122.58 3i2f s ARG 21 Ca 0.49 -0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 55.33 3i2f s ARG 21 Cb -0.35 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 3i2f s ARG 21 CO 0.43 0.36 -0.04 -0.51 0.02 0.00 0.00 175.30 175.56 3i2f s LEU 22 N 0.11 3.29 0.09 2.53 1.02 0.32 -1.03 118.68 125.01 3i2f s LEU 22 Ca 0.04 -0.01 -0.22 0.00 0.02 0.00 0.00 54.13 53.96 3i2f s LEU 22 Cb -0.12 -1.75 -0.07 0.00 0.02 0.00 0.00 46.19 44.27 3i2f s LEU 22 CO 0.01 0.31 0.67 0.00 0.02 0.00 0.00 176.35 177.36 3i2f s ALA 23 N -0.50 3.49 0.13 4.21 0.00 -1.26 -0.39 121.76 127.44 3i2f s ALA 23 Ca 0.08 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.27 3i2f s ALA 23 Cb -0.12 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 3i2f s ALA 23 CO 0.02 0.28 -0.11 0.14 0.00 0.00 0.00 175.76 176.08 3i2f s VAL 24 N -0.81 1.17 -0.04 0.00 -7.23 -0.39 -1.25 120.40 111.85 3i2f s VAL 24 Ca 0.33 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 3i2f s VAL 24 Cb -0.21 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 3i2f s VAL 24 CO 0.22 -0.58 -0.02 -1.81 -0.31 0.00 0.00 175.10 172.60 3i2f s ASP 25 N -2.72 5.01 -0.24 4.85 1.01 0.32 -0.95 116.67 123.95 3i2f s ASP 25 Ca 0.11 0.02 -0.04 0.00 0.71 0.00 0.00 52.55 53.35 3i2f s ASP 25 Cb -0.02 -1.32 0.00 0.00 1.01 0.00 0.00 42.92 42.60 3i2f s ASP 25 CO 0.01 0.33 -0.02 -0.76 0.21 0.00 0.00 175.17 174.94 3i2f s LEU 26 N -1.20 3.15 -0.43 1.23 1.43 0.31 -1.98 118.68 121.20 3i2f s LEU 26 Ca 0.16 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 3i2f s LEU 26 Cb -0.11 -1.75 0.06 0.00 0.03 0.00 0.00 46.19 44.42 3i2f s LEU 26 CO 0.06 -0.08 0.30 -0.31 0.23 0.00 0.00 176.35 176.54 3i2f s TYR 27 N 1.44 3.27 -0.10 0.29 1.51 0.31 -1.27 117.35 122.80 3i2f s TYR 27 Ca 0.04 -1.11 0.04 0.00 -1.01 0.00 0.00 57.07 55.03 3i2f s TYR 27 Cb -0.15 -2.87 0.00 0.00 -0.11 0.00 0.00 41.96 38.83 3i2f s TYR 27 CO -0.03 -0.76 -0.24 1.03 -1.11 0.00 0.00 175.55 174.45 3i2f s ARG 28 N 1.55 3.04 0.48 -0.62 0.52 -0.45 -0.71 118.95 122.76 3i2f s ARG 28 Ca 0.03 -0.88 -0.22 0.00 -0.52 0.00 0.00 55.73 54.15 3i2f s ARG 28 Cb -0.22 -2.30 -0.07 0.00 0.52 0.00 0.00 34.95 32.87 3i2f s ARG 28 CO 0.05 0.17 1.12 -1.25 0.02 0.00 0.00 175.30 175.42 3i2f s PRO 29 N 0.36 3.71 -0.39 3.54 0.04 -1.26 -1.36 135.00 139.65 3i2f s PRO 29 Ca -0.18 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 3i2f s PRO 29 Cb -0.18 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 3i2f s PRO 29 CO 0.08 -0.56 2.01 -0.51 0.04 0.00 0.00 177.00 178.07 3i2f s ASP 30 N -1.58 5.42 0.02 6.66 1.01 -0.52 -4.88 116.67 122.81 3i2f s ASP 30 Ca 0.66 1.22 -0.14 0.00 0.71 0.00 0.00 52.55 55.00 3i2f s ASP 30 Cb -0.25 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.18 3i2f s ASP 30 CO 0.30 -2.10 0.29 0.00 0.21 0.00 0.00 175.17 173.87 3i2f s ALA 31 N 8.56 -0.68 0.10 5.23 0.00 -1.26 -3.79 121.76 129.92 3i2f s ALA 31 Ca 0.85 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 3i2f s ALA 31 Cb -0.22 0.24 -0.22 0.00 0.00 0.00 0.00 23.12 22.92 3i2f s ALA 31 CO 0.30 -0.36 1.21 -0.44 0.00 0.00 0.00 175.76 176.47 3i2f h ASP 32 N 3.46 0.35 -3.40 0.00 3.32 -2.04 -3.47 116.42 114.65 3i2f h ASP 32 Ca -0.31 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.38 3i2f h ASP 32 Cb 1.19 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3i2f h ASP 32 CO 0.44 1.25 0.00 0.61 -1.72 0.00 0.00 179.24 179.82 3i2f n GLY 33 N 1.36 3.09 3.82 2.75 0.00 -1.26 -5.12 105.19 109.83 3i2f n GLY 33 Ca -0.06 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 3i2f n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i2f s PRO 34 N -1.70 2.67 0.20 1.61 0.04 -1.26 -4.91 135.00 131.65 3i2f s PRO 34 Ca 0.00 0.83 0.06 0.00 0.04 0.00 0.00 61.00 61.93 3i2f s PRO 34 Cb 0.00 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 3i2f s PRO 34 CO 0.00 -1.25 -0.09 0.14 0.04 0.00 0.00 177.00 175.84 3i2f s VAL 35 N -3.09 1.40 0.53 -0.36 -7.23 0.17 -4.57 120.40 107.25 3i2f s VAL 35 Ca 0.59 -2.12 -0.21 0.00 -1.81 0.00 0.00 61.98 58.43 3i2f s VAL 35 Cb -0.14 -2.11 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 3i2f s VAL 35 CO 0.55 -0.54 1.22 -2.16 -0.31 0.00 0.00 175.10 173.86 3i2f s PRO 36 N -3.73 3.35 -0.04 4.82 0.04 -1.26 -0.80 135.00 137.37 3i2f s PRO 36 Ca 0.23 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.20 3i2f s PRO 36 Cb 0.02 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 3i2f s PRO 36 CO 0.06 -0.92 -0.17 0.08 0.04 0.00 0.00 177.00 176.10 3i2f s VAL 37 N -1.52 1.37 -0.11 -0.36 1.01 -0.32 -1.06 120.40 119.43 3i2f s VAL 37 Ca 0.70 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3i2f s VAL 37 Cb -0.32 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3i2f s VAL 37 CO 0.37 0.40 -0.10 -0.76 0.00 0.00 0.00 175.10 175.00 3i2f s LEU 38 N -0.03 2.90 -0.08 3.92 1.43 0.10 -0.32 118.68 126.61 3i2f s LEU 38 Ca -0.02 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3i2f s LEU 38 Cb -0.10 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 3i2f s LEU 38 CO 0.02 0.24 -0.13 -0.22 0.23 0.00 0.00 176.35 176.49 3i2f s LEU 39 N -0.10 2.76 -0.11 1.79 2.96 0.43 -0.03 118.68 126.37 3i2f s LEU 39 Ca -0.00 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 3i2f s LEU 39 Cb -0.14 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 44.99 3i2f s LEU 39 CO 0.03 0.29 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.56 3i2f s VAL 40 N -0.36 1.16 -0.26 1.68 1.01 0.02 -3.22 120.40 120.43 3i2f s VAL 40 Ca 0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 3i2f s VAL 40 Cb -0.12 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3i2f s VAL 40 CO 0.02 0.39 0.06 -0.13 0.00 0.00 0.00 175.10 175.44 3i2f s ARG 41 N 1.53 3.43 -0.10 2.72 0.52 -1.26 -1.19 118.95 124.60 3i2f s ARG 41 Ca 0.02 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.61 3i2f s ARG 41 Cb -0.13 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.05 3i2f s ARG 41 CO -0.07 -0.28 -0.06 1.21 0.02 0.00 0.00 175.30 176.12 3i2f s ASN 42 N 1.56 2.00 0.00 0.23 3.04 -0.29 -4.10 114.94 117.38 3i2f s ASN 42 Ca 0.05 -0.25 0.30 0.00 0.04 0.00 0.00 52.86 53.01 3i2f s ASN 42 Cb -0.16 -0.74 1.52 0.00 -1.54 0.00 0.00 41.25 40.34 3i2f s ASN 42 CO 0.02 -0.13 2.02 -0.81 -3.04 0.00 0.00 177.10 175.16 3i2f n PRO 43 N 4.94 1.00 -1.35 0.43 -0.04 -1.26 -2.17 135.00 136.56 3i2f n PRO 43 Ca -0.12 -0.26 -0.15 0.00 -0.04 0.00 0.00 63.50 62.93 3i2f n PRO 43 Cb 0.50 -1.49 0.11 0.00 -0.04 0.00 0.00 33.50 32.58 3i2f n PRO 43 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i2f n TYR 44 N -0.77 1.92 -1.80 0.54 4.01 -1.26 -4.93 117.16 114.86 3i2f n TYR 44 Ca 0.20 -2.04 -0.02 0.00 -0.16 0.00 0.00 57.90 55.88 3i2f n TYR 44 Cb 0.22 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.70 3i2f n TYR 44 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3i2f n ASP 45 N -0.93 -2.01 -0.27 7.72 -0.08 -1.26 -4.64 116.55 115.08 3i2f n ASP 45 Ca 0.40 0.50 0.31 0.00 -1.51 0.00 0.00 54.79 54.49 3i2f n ASP 45 Cb 0.91 -2.48 0.71 0.00 2.34 0.00 0.00 41.12 42.61 3i2f n ASP 45 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3i2f h LYS 46 N 1.43 0.04 -0.52 -0.67 2.10 -1.83 0.05 116.57 117.17 3i2f h LYS 46 Ca -0.16 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.43 3i2f h LYS 46 Cb 0.37 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.67 3i2f h LYS 46 CO 0.00 0.03 0.11 0.74 -2.00 0.00 0.00 179.45 178.33 3i2f h PHE 47 N 0.04 0.88 -0.59 0.07 0.04 -1.95 -3.37 116.94 112.07 3i2f h PHE 47 Ca 0.51 -0.11 -0.66 0.00 2.80 0.00 0.00 57.97 60.51 3i2f h PHE 47 Cb 1.96 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 39.80 3i2f h PHE 47 CO -0.00 0.79 2.37 -3.47 -0.60 0.00 0.00 178.31 177.40 3i2f n ASP 48 N -4.42 4.47 0.17 2.17 -0.08 0.00 -4.75 116.55 114.11 3i2f n ASP 48 Ca 0.02 -2.88 0.06 0.00 -1.51 0.00 0.00 54.79 50.48 3i2f n ASP 48 Cb 0.24 -1.71 0.07 0.00 2.34 0.00 0.00 41.12 42.06 3i2f n ASP 48 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 3i2f h VAL 49 N 5.17 0.57 0.00 5.18 -1.51 -1.79 -3.25 116.25 120.62 3i2f h VAL 49 Ca 0.46 -1.81 -0.11 0.00 -1.23 0.00 0.00 66.70 64.02 3i2f h VAL 49 Cb 0.81 2.28 -0.02 0.00 -2.13 0.00 0.00 31.29 32.23 3i2f h VAL 49 CO 1.57 0.32 -0.51 -0.26 -1.23 0.00 0.00 177.57 177.46 3i2f h PHE 50 N 0.00 0.00 -0.82 5.19 0.04 -1.96 -2.87 116.94 116.52 3i2f h PHE 50 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3i2f h PHE 50 Cb 1.26 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.37 3i2f h PHE 50 CO 0.00 0.51 0.44 0.00 -0.60 0.00 0.00 178.31 178.66 3i2f h ALA 51 N 1.49 1.06 0.00 2.45 0.00 -1.97 -3.31 119.26 118.98 3i2f h ALA 51 Ca -0.01 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 3i2f h ALA 51 Cb 1.09 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3i2f h ALA 51 CO 0.07 0.58 -2.14 -2.67 0.00 0.00 0.00 179.25 175.09 3i2f n TRP 52 N -4.38 0.00 0.19 0.00 4.27 -1.24 -4.71 117.44 111.56 3i2f n TRP 52 Ca 0.08 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.72 3i2f n TRP 52 Cb 0.10 -0.80 0.41 0.00 -1.36 0.00 0.00 31.31 29.67 3i2f n TRP 52 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 3i2f h SER 53 N 0.00 0.03 0.40 -0.67 0.02 -1.59 -0.25 113.55 111.48 3i2f h SER 53 Ca -0.41 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3i2f h SER 53 Cb 1.91 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.45 3i2f h SER 53 CO 0.02 0.31 0.00 0.35 -1.14 0.00 0.00 176.83 176.38 3i2f n THR 54 N -4.19 1.18 -0.97 -2.27 -2.24 -1.26 -1.28 114.28 103.25 3i2f n THR 54 Ca -0.02 0.34 0.08 0.00 -2.27 0.00 0.00 64.05 62.19 3i2f n THR 54 Cb 0.34 -1.21 0.30 0.00 -2.10 0.00 0.00 70.33 67.66 3i2f n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i2f n GLN 55 N -1.74 3.50 0.00 -0.78 3.00 -0.11 -4.89 117.38 116.36 3i2f n GLN 55 Ca 0.02 -2.94 0.00 0.00 -0.01 0.00 0.00 57.00 54.07 3i2f n GLN 55 Cb 0.13 -1.97 0.00 0.00 0.00 0.00 0.00 30.24 28.41 3i2f n GLN 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3i2f n SER 56 N -0.17 0.00 -3.75 1.08 2.88 -0.41 -4.76 113.62 108.49 3i2f n SER 56 Ca 0.23 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.65 3i2f n SER 56 Cb 0.98 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.37 3i2f n SER 56 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3i2f s THR 57 N 0.13 0.08 -1.28 2.46 -4.23 -1.08 -4.73 115.64 106.98 3i2f s THR 57 Ca 0.00 -0.65 -0.16 0.00 -1.18 0.00 0.00 61.69 59.70 3i2f s THR 57 Cb 0.00 -0.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.90 3i2f s THR 57 CO 0.00 -0.36 2.17 0.59 -0.54 0.00 0.00 174.62 176.49 3i2f n ASN 58 N 0.61 3.68 0.15 3.99 3.02 -1.26 -4.77 115.26 120.69 3i2f n ASN 58 Ca -0.19 -2.78 0.13 0.00 -0.03 0.00 0.00 54.58 51.71 3i2f n ASN 58 Cb 0.59 -1.51 0.48 0.00 -0.61 0.00 0.00 39.78 38.73 3i2f n ASN 58 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3i2f h TRP 59 N 6.46 0.00 -0.07 3.10 5.08 -1.96 -1.32 115.95 127.23 3i2f h TRP 59 Ca 0.54 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.53 3i2f h TRP 59 Cb 0.63 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.79 3i2f h TRP 59 CO 1.42 0.00 0.08 -0.07 -1.28 0.00 0.00 178.44 178.59 3i2f h LEU 60 N 0.00 0.00 -0.95 0.11 3.38 -2.00 0.70 115.31 116.54 3i2f h LEU 60 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i2f h LEU 60 Cb 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3i2f h LEU 60 CO 0.00 0.00 0.50 -0.08 0.09 0.00 0.00 178.44 178.95 3i2f h GLU 61 N 0.00 1.23 -0.89 1.13 4.81 -1.65 -0.39 114.58 118.81 3i2f h GLU 61 Ca 0.03 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3i2f h GLU 61 Cb 0.19 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 3i2f h GLU 61 CO -0.00 0.89 0.58 0.74 -0.73 0.00 0.00 179.01 180.49 3i2f h PHE 62 N 1.24 1.09 -0.45 0.92 0.04 -1.03 -1.40 116.94 117.34 3i2f h PHE 62 Ca 0.31 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 61.01 3i2f h PHE 62 Cb 0.01 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.78 3i2f h PHE 62 CO 0.01 0.63 -0.10 0.28 -0.60 0.00 0.00 178.31 178.53 3i2f h VAL 63 N 1.13 1.27 0.00 -0.55 2.07 -1.23 -1.03 116.25 117.90 3i2f h VAL 63 Ca 0.35 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3i2f h VAL 63 Cb -0.00 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3i2f h VAL 63 CO -0.12 0.42 0.00 0.03 0.02 0.00 0.00 177.57 177.92 3i2f h ARG 64 N 0.70 0.00 -0.33 1.57 3.08 -0.77 -2.54 114.38 116.10 3i2f h ARG 64 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3i2f h ARG 64 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3i2f h ARG 64 CO 0.04 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.69 3i2f n ASP 65 N -2.36 2.97 0.00 7.04 8.00 -0.56 -3.13 116.55 128.51 3i2f n ASP 65 Ca 0.01 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3i2f n ASP 65 Cb 0.16 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 3i2f n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i2f n GLY 66 N 0.93 1.26 3.90 0.44 0.00 -0.89 -5.05 105.19 105.79 3i2f n GLY 66 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3i2f n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i2f s TYR 67 N -2.00 3.55 0.25 1.61 1.51 -0.45 -4.36 117.35 117.47 3i2f s TYR 67 Ca 0.00 0.44 -0.19 0.00 -1.01 0.00 0.00 57.07 56.31 3i2f s TYR 67 Cb 0.00 -1.89 -0.08 0.00 -0.11 0.00 0.00 41.96 39.88 3i2f s TYR 67 CO 0.00 0.62 0.73 0.00 -1.11 0.00 0.00 175.55 175.79 3i2f s ALA 68 N -1.34 3.39 -0.07 3.71 0.00 -0.22 -3.98 121.76 123.24 3i2f s ALA 68 Ca 0.28 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.43 3i2f s ALA 68 Cb -0.13 -2.81 -0.00 0.00 0.00 0.00 0.00 23.12 20.18 3i2f s ALA 68 CO 0.19 0.33 -0.22 0.08 0.00 0.00 0.00 175.76 176.13 3i2f s VAL 69 N -1.64 1.86 -0.16 0.00 1.01 0.11 0.00 120.40 121.58 3i2f s VAL 69 Ca 0.46 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3i2f s VAL 69 Cb -0.15 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3i2f s VAL 69 CO 0.20 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.97 3i2f s VAL 70 N 0.14 2.55 -0.17 2.92 1.01 0.95 -0.53 120.40 127.27 3i2f s VAL 70 Ca -0.10 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3i2f s VAL 70 Cb -0.15 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 3i2f s VAL 70 CO 0.05 0.52 -0.13 -0.63 0.00 0.00 0.00 175.10 174.92 3i2f s ILE 71 N 0.90 2.83 -0.08 2.22 1.01 -0.84 -0.80 121.20 126.44 3i2f s ILE 71 Ca -0.04 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3i2f s ILE 71 Cb -0.15 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 3i2f s ILE 71 CO -0.02 0.49 -0.12 -1.58 0.00 0.00 0.00 174.94 173.71 3i2f s GLN 72 N 1.01 2.87 0.01 2.79 0.74 -0.33 -0.52 119.66 126.23 3i2f s GLN 72 Ca -0.01 -0.66 -0.30 0.00 0.05 0.00 0.00 55.36 54.44 3i2f s GLN 72 Cb -0.15 -2.52 -0.04 0.00 1.10 0.00 0.00 33.01 31.40 3i2f s GLN 72 CO -0.02 0.49 1.18 -0.51 -0.55 0.00 0.00 175.29 175.87 3i2f s ASP 73 N -0.36 7.10 0.86 6.67 1.01 -0.38 -1.14 116.67 130.42 3i2f s ASP 73 Ca 0.04 1.91 -0.11 0.00 0.71 0.00 0.00 52.55 55.10 3i2f s ASP 73 Cb -0.12 -2.57 0.11 0.00 1.01 0.00 0.00 42.92 41.34 3i2f s ASP 73 CO 0.02 -0.49 1.09 0.42 0.21 0.00 0.00 175.17 176.43 3i2f s THR 74 N 1.46 2.86 -0.01 -1.27 -4.23 -0.92 -4.34 115.64 109.20 3i2f s THR 74 Ca 0.57 0.28 -0.39 0.00 -1.18 0.00 0.00 61.69 60.97 3i2f s THR 74 Cb -0.27 -2.71 -0.18 0.00 1.34 0.00 0.00 72.50 70.68 3i2f s THR 74 CO 0.27 -0.36 1.29 -1.14 -0.54 0.00 0.00 174.62 174.13 3i2f n ARG 75 N -3.80 0.65 -0.99 3.99 0.63 -1.26 -2.40 116.66 113.47 3i2f n ARG 75 Ca 0.08 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 3i2f n ARG 75 Cb 0.54 -1.82 0.00 0.00 0.45 0.00 0.00 32.46 31.63 3i2f n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i2f n GLY 76 N 2.35 0.65 3.32 5.14 0.00 -0.27 -3.92 105.19 112.48 3i2f n GLY 76 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3i2f n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2f s LEU 77 N 0.00 2.10 0.00 0.99 1.43 -1.01 -4.32 118.68 117.87 3i2f s LEU 77 Ca 0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3i2f s LEU 77 Cb 0.00 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.90 3i2f s LEU 77 CO 0.00 0.29 0.00 0.49 0.23 0.00 0.00 176.35 177.36 3i2f n PHE 78 N 2.18 0.00 1.25 0.29 3.72 -1.26 -1.51 117.46 122.13 3i2f n PHE 78 Ca -0.16 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.37 3i2f n PHE 78 Cb 0.51 0.00 0.56 0.00 -0.94 0.00 0.00 39.48 39.61 3i2f n PHE 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i2f n ALA 79 N 10.73 2.79 -2.04 4.37 0.00 -1.26 -4.87 120.51 130.23 3i2f n ALA 79 Ca 0.00 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 52.86 3i2f n ALA 79 Cb 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 3i2f n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i2f s SER 80 N -2.68 6.91 0.81 0.00 0.01 -0.57 -4.41 113.70 113.77 3i2f s SER 80 Ca 0.23 1.43 -0.10 0.00 1.31 0.00 0.00 55.95 58.82 3i2f s SER 80 Cb 0.19 -2.43 0.12 0.00 0.21 0.00 0.00 66.02 64.11 3i2f s SER 80 CO 0.52 -0.17 1.15 -1.61 0.41 0.00 0.00 173.24 173.54 3i2f s GLU 81 N -2.73 1.58 0.26 12.44 2.02 -0.20 -4.00 118.70 128.07 3i2f s GLU 81 Ca 0.53 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.20 3i2f s GLU 81 Cb -0.12 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.08 3i2f s GLU 81 CO 0.18 -1.73 0.00 0.41 0.02 0.00 0.00 175.26 174.14 3i2f n GLY 82 N -3.28 -2.13 3.53 -1.39 0.00 -1.26 -1.11 105.19 99.55 3i2f n GLY 82 Ca 0.11 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 3i2f n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2f s GLU 83 N -0.17 2.94 -0.18 1.61 0.41 -1.26 -3.97 118.70 118.08 3i2f s GLU 83 Ca 0.00 -0.58 -0.24 0.00 -0.41 0.00 0.00 54.97 53.74 3i2f s GLU 83 Cb 0.00 -2.62 -0.02 0.00 -1.78 0.00 0.00 34.13 29.72 3i2f s GLU 83 CO 0.00 0.54 0.77 0.12 -0.49 0.00 0.00 175.26 176.20 3i2f s PHE 84 N -0.47 3.40 -0.04 1.61 5.36 -1.25 -4.34 117.98 122.24 3i2f s PHE 84 Ca 0.07 1.16 -0.00 0.00 -0.96 0.00 0.00 56.93 57.19 3i2f s PHE 84 Cb -0.12 -2.96 0.03 0.00 -0.34 0.00 0.00 43.02 39.63 3i2f s PHE 84 CO 0.02 -0.23 -0.00 0.08 -1.46 0.00 0.00 175.22 173.62 3i2f s VAL 85 N 2.12 0.28 0.28 3.12 1.01 -1.26 -5.06 120.40 120.89 3i2f s VAL 85 Ca 0.35 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 3i2f s VAL 85 Cb -0.16 -0.39 -0.14 0.00 0.00 0.00 0.00 36.38 35.69 3i2f s VAL 85 CO 0.11 0.19 1.15 -2.65 0.00 0.00 0.00 175.10 173.90 3i2f n PRO 86 N 4.45 1.61 0.00 2.72 -0.02 -1.26 -3.95 135.00 138.55 3i2f n PRO 86 Ca -0.20 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3i2f n PRO 86 Cb 0.50 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3i2f n PRO 86 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3i2f n HIS 87 N 0.61 0.00 0.26 6.00 8.25 -1.26 -4.68 115.22 124.40 3i2f n HIS 87 Ca 0.09 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.65 3i2f n HIS 87 Cb 0.32 0.00 0.67 0.00 1.12 0.00 0.00 29.99 32.10 3i2f n HIS 87 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3i2f h VAL 88 N 0.00 0.85 -0.01 1.59 -1.51 -2.00 -2.74 116.25 112.44 3i2f h VAL 88 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 3i2f h VAL 88 Cb 0.00 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 3i2f h VAL 88 CO 0.00 0.09 -0.63 0.47 -1.23 0.00 0.00 177.57 176.27 3i2f n ASP 89 N -4.13 1.30 0.01 4.19 8.00 -1.26 -4.67 116.55 119.99 3i2f n ASP 89 Ca -0.03 -1.15 -0.04 0.00 0.71 0.00 0.00 54.79 54.28 3i2f n ASP 89 Cb 0.17 0.75 0.17 0.00 -0.02 0.00 0.00 41.12 42.19 3i2f n ASP 89 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3i2f h ASP 90 N 1.00 0.51 0.07 -2.24 3.32 -1.84 -0.91 116.42 116.32 3i2f h ASP 90 Ca 0.00 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.88 3i2f h ASP 90 Cb 0.53 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3i2f h ASP 90 CO 0.00 0.78 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.85 3i2f h GLU 91 N 0.43 -0.24 -0.16 3.56 5.08 -1.81 -0.22 114.58 121.21 3i2f h GLU 91 Ca 0.06 0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 3i2f h GLU 91 Cb 0.74 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3i2f h GLU 91 CO 0.06 -0.16 -0.64 0.00 -1.00 0.00 0.00 179.01 177.26 3i2f h ALA 92 N 0.65 0.56 -0.16 3.43 0.00 -1.84 -2.07 119.26 119.83 3i2f h ALA 92 Ca 0.02 -0.56 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 3i2f h ALA 92 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3i2f h ALA 92 CO -0.08 0.71 -0.48 -0.44 0.00 0.00 0.00 179.25 178.96 3i2f h ASP 93 N 0.44 0.45 -0.11 0.00 5.19 -1.16 -0.59 116.42 120.64 3i2f h ASP 93 Ca -0.01 -0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.15 3i2f h ASP 93 Cb 1.22 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 3i2f h ASP 93 CO 0.12 0.86 -0.04 0.00 -3.12 0.00 0.00 179.24 177.06 3i2f h ALA 94 N 1.15 0.15 -0.22 3.45 0.00 -1.00 -1.54 119.26 121.25 3i2f h ALA 94 Ca 0.02 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3i2f h ALA 94 Cb 0.96 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3i2f h ALA 94 CO 0.08 -0.09 -0.01 1.49 0.00 0.00 0.00 179.25 180.72 3i2f h GLU 95 N -0.13 0.06 -0.73 0.00 4.81 -1.27 0.03 114.58 117.35 3i2f h GLU 95 Ca 0.02 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3i2f h GLU 95 Cb 0.48 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 3i2f h GLU 95 CO 0.01 0.04 0.46 -0.44 -0.73 0.00 0.00 179.01 178.36 3i2f h ASP 96 N 0.06 0.85 -0.53 1.04 3.32 -1.12 -2.24 116.42 117.81 3i2f h ASP 96 Ca 0.10 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3i2f h ASP 96 Cb 0.13 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3i2f h ASP 96 CO -0.18 0.64 0.29 0.74 -1.72 0.00 0.00 179.24 179.01 3i2f h THR 97 N 0.99 1.18 -0.88 0.35 2.02 -0.72 -2.03 112.91 113.81 3i2f h THR 97 Ca 0.26 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3i2f h THR 97 Cb -0.08 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 3i2f h THR 97 CO -0.05 0.19 0.48 -0.07 0.37 0.00 0.00 175.52 176.43 3i2f h LEU 98 N 0.70 1.11 -0.25 2.58 3.38 -0.74 -1.00 115.31 121.10 3i2f h LEU 98 Ca 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3i2f h LEU 98 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3i2f h LEU 98 CO -0.03 0.90 0.10 0.28 0.09 0.00 0.00 178.44 179.78 3i2f h SER 99 N 1.24 0.34 -0.82 -0.43 0.02 -1.23 0.11 113.55 112.78 3i2f h SER 99 Ca 0.31 -0.16 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 3i2f h SER 99 Cb 0.04 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.43 3i2f h SER 99 CO -0.05 0.41 0.51 -0.25 -1.14 0.00 0.00 176.83 176.30 3i2f h TRP 100 N 0.25 0.94 -0.30 3.45 7.01 -1.12 -1.03 115.95 125.14 3i2f h TRP 100 Ca 0.08 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 3i2f h TRP 100 Cb 0.17 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 3i2f h TRP 100 CO -0.01 0.48 0.02 0.82 -2.79 0.00 0.00 178.44 176.95 3i2f h ILE 101 N 0.93 1.25 -0.48 2.65 2.04 -0.88 -2.67 117.51 120.34 3i2f h ILE 101 Ca 0.36 -0.89 0.09 0.00 1.00 0.00 0.00 64.86 65.42 3i2f h ILE 101 Cb 0.16 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3i2f h ILE 101 CO -0.17 0.29 0.33 -0.07 0.00 0.00 0.00 178.15 178.53 3i2f h LEU 102 N 0.32 0.21 0.00 1.44 3.38 -0.45 -1.70 115.31 118.50 3i2f h LEU 102 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i2f h LEU 102 Cb 0.40 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3i2f h LEU 102 CO 0.01 0.13 0.00 -0.62 0.09 0.00 0.00 178.44 178.05 3i2f n GLU 103 N -4.46 0.19 -2.96 1.13 1.02 -0.44 -4.75 120.64 110.37 3i2f n GLU 103 Ca 0.07 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.87 3i2f n GLU 103 Cb 0.38 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 3i2f n GLU 103 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3i2f s GLN 104 N -2.81 4.27 0.48 3.49 -1.52 -0.64 -4.95 119.66 117.98 3i2f s GLN 104 Ca 0.20 1.00 0.28 0.00 -1.95 0.00 0.00 55.36 54.89 3i2f s GLN 104 Cb 0.19 -2.58 1.35 0.00 -0.22 0.00 0.00 33.01 31.76 3i2f s GLN 104 CO 0.49 0.20 1.80 0.00 -0.25 0.00 0.00 175.29 177.53 3i2f h ALA 105 N 2.71 2.71 -0.02 6.09 0.00 -1.90 -2.38 119.26 126.47 3i2f h ALA 105 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i2f h ALA 105 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i2f h ALA 105 CO 0.64 -1.08 -0.26 -2.67 0.00 0.00 0.00 179.25 175.88 3i2f n TRP 106 N -4.39 0.00 -3.59 0.00 4.27 -1.26 -4.25 117.44 108.23 3i2f n TRP 106 Ca 0.25 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.49 3i2f n TRP 106 Cb 1.07 -0.02 -0.09 0.00 -1.36 0.00 0.00 31.31 30.92 3i2f n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3i2f n ASP 108 N 4.17 1.40 0.00 0.00 5.75 0.02 -4.68 116.55 123.21 3i2f n ASP 108 Ca -0.13 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 3i2f n ASP 108 Cb 0.52 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3i2f n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2f n GLY 109 N 0.74 0.79 3.32 6.12 0.00 -1.26 -4.98 105.19 109.91 3i2f n GLY 109 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3i2f n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2f s ASN 110 N -2.89 4.19 -0.04 1.61 0.01 -1.26 -4.61 114.94 111.94 3i2f s ASN 110 Ca 0.00 -0.39 0.04 0.00 -0.71 0.00 0.00 52.86 51.81 3i2f s ASN 110 Cb 0.00 -1.70 -0.00 0.00 0.41 0.00 0.00 41.25 39.96 3i2f s ASN 110 CO 0.00 0.02 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.76 3i2f s VAL 111 N 1.22 1.31 0.38 1.60 1.01 -0.28 -1.17 120.40 124.47 3i2f s VAL 111 Ca 0.02 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.39 3i2f s VAL 111 Cb -0.14 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 3i2f s VAL 111 CO -0.02 0.38 0.05 -0.83 0.00 0.00 0.00 175.10 174.68 3i2f s GLY 112 N -0.01 2.40 0.04 4.51 0.00 0.56 -0.27 107.32 114.55 3i2f s GLY 112 Ca -0.02 -1.76 -0.00 0.00 0.00 0.00 0.00 44.72 42.94 3i2f s GLY 112 CO 0.01 -1.94 -0.04 1.06 0.00 0.00 0.00 173.10 172.20 3i2f s MET 113 N -3.82 0.47 0.25 2.90 -1.94 -0.82 -0.43 119.30 115.92 3i2f s MET 113 Ca 0.30 -0.90 -0.16 0.00 -1.71 0.00 0.00 55.69 53.22 3i2f s MET 113 Cb 0.07 0.10 0.01 0.00 2.01 0.00 0.00 34.83 37.02 3i2f s MET 113 CO 0.14 -0.06 0.56 -0.59 -0.01 0.00 0.00 175.02 175.06 3i2f s PHE 114 N -2.55 0.12 0.00 -0.03 -0.71 -1.20 -1.24 117.98 112.38 3i2f s PHE 114 Ca -0.05 -0.51 0.00 0.00 -1.04 0.00 0.00 56.93 55.33 3i2f s PHE 114 Cb -0.02 0.38 0.00 0.00 -1.21 0.00 0.00 43.02 42.17 3i2f s PHE 114 CO -0.05 -1.06 0.00 0.41 -1.34 0.00 0.00 175.22 173.19 3i2f n GLY 115 N -0.40 3.72 3.59 1.99 0.00 -1.21 -4.57 105.19 108.31 3i2f n GLY 115 Ca -0.04 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 3i2f n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2f s VAL 116 N -2.08 3.49 0.00 1.61 0.11 -1.26 -1.20 120.40 121.06 3i2f s VAL 116 Ca 0.00 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 57.99 3i2f s VAL 116 Cb 0.00 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.27 3i2f s VAL 116 CO 0.00 0.23 0.00 -0.24 -3.33 0.00 0.00 175.10 171.76 3i2f n SER 117 N 1.05 0.00 0.01 3.54 2.88 0.65 -1.01 113.62 120.75 3i2f n SER 117 Ca -0.14 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.42 3i2f n SER 117 Cb 0.52 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.35 3i2f n SER 117 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3i2f h TYR 118 N 0.00 0.50 0.00 0.66 5.03 -1.89 0.18 116.97 121.45 3i2f h TYR 118 Ca 0.00 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 3i2f h TYR 118 Cb 0.00 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.12 3i2f h TYR 118 CO 0.00 0.41 0.00 1.28 -1.32 0.00 0.00 178.16 178.53 3i2f n LEU 119 N -4.38 0.19 -0.06 2.82 4.32 -0.18 -2.05 117.00 117.66 3i2f n LEU 119 Ca 0.02 0.54 -0.20 0.00 -0.02 0.00 0.00 56.01 56.35 3i2f n LEU 119 Cb 0.15 -0.51 -0.13 0.00 -1.62 0.00 0.00 43.42 41.31 3i2f n LEU 119 CO 0.37 -0.28 -1.03 0.61 -1.22 0.00 0.00 177.39 175.84 3i2f n GLY 120 N 0.27 -0.49 0.34 -0.72 0.00 0.39 -4.23 105.19 100.74 3i2f n GLY 120 Ca 0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 3i2f n GLY 120 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i2f h VAL 121 N -0.05 1.25 0.00 1.61 2.07 -0.75 -2.57 116.25 117.81 3i2f h VAL 121 Ca -0.49 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 3i2f h VAL 121 Cb 1.93 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3i2f h VAL 121 CO -0.01 0.33 -0.08 0.71 0.02 0.00 0.00 177.57 178.54 3i2f h THR 122 N 1.11 0.56 -0.31 2.57 1.35 -1.62 -2.76 112.91 113.81 3i2f h THR 122 Ca 0.26 -0.33 -0.17 0.00 -0.55 0.00 0.00 66.41 65.61 3i2f h THR 122 Cb 0.21 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3i2f h THR 122 CO -0.02 0.07 -0.46 1.56 -0.25 0.00 0.00 175.52 176.42 3i2f h GLN 123 N 0.00 0.86 -0.33 4.72 4.20 -1.63 0.60 115.11 123.52 3i2f h GLN 123 Ca -0.00 -0.51 -0.05 0.00 0.06 0.00 0.00 58.65 58.15 3i2f h GLN 123 Cb 0.21 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3i2f h GLN 123 CO 0.01 1.15 -0.02 -1.49 -0.67 0.00 0.00 178.83 177.81 3i2f h TRP 124 N 0.64 0.55 -0.28 2.96 4.06 -1.55 0.15 115.95 122.47 3i2f h TRP 124 Ca 0.03 -0.06 -0.14 0.00 2.06 0.00 0.00 58.89 60.78 3i2f h TRP 124 Cb 1.07 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 29.06 3i2f h TRP 124 CO 0.07 0.55 -0.39 1.96 -3.56 0.00 0.00 178.44 177.07 3i2f h GLN 125 N 0.50 0.67 -0.25 0.49 4.20 -1.22 -2.63 115.11 116.87 3i2f h GLN 125 Ca 0.11 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 3i2f h GLN 125 Cb 0.35 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3i2f h GLN 125 CO 0.01 0.95 -0.09 0.00 -0.67 0.00 0.00 178.83 179.03 3i2f h ALA 126 N 1.01 0.35 0.00 3.87 0.00 -0.54 -3.28 119.26 120.66 3i2f h ALA 126 Ca 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3i2f h ALA 126 Cb 0.92 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3i2f h ALA 126 CO 0.08 0.18 -0.10 0.00 0.00 0.00 0.00 179.25 179.41 3i2f h ALA 127 N 0.74 1.44 -0.00 0.00 0.00 -0.56 -2.70 119.26 118.17 3i2f h ALA 127 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i2f h ALA 127 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3i2f h ALA 127 CO 0.03 0.12 -0.05 1.33 0.00 0.00 0.00 179.25 180.68 3i2f n VAL 128 N -3.84 0.00 1.64 0.00 0.24 -1.01 -3.49 118.33 111.88 3i2f n VAL 128 Ca -0.02 -0.02 0.15 0.00 -2.04 0.00 0.00 64.34 62.41 3i2f n VAL 128 Cb 0.20 -0.35 0.82 0.00 -1.47 0.00 0.00 33.84 33.04 3i2f n VAL 128 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i2f n SER 129 N -1.20 0.00 -0.42 -1.34 3.41 -1.02 -4.93 113.62 108.12 3i2f n SER 129 Ca 0.14 -0.52 -0.05 0.00 -0.26 0.00 0.00 58.87 58.17 3i2f n SER 129 Cb 0.26 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 3i2f n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i2f n GLY 130 N 1.07 0.48 3.52 5.00 0.00 -1.23 -4.91 105.19 109.13 3i2f n GLY 130 Ca 0.18 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.69 3i2f n GLY 130 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i2f n VAL 131 N -1.88 0.26 -0.26 1.61 0.31 -1.26 -4.86 118.33 112.25 3i2f n VAL 131 Ca -0.05 -0.21 0.12 0.00 -0.01 0.00 0.00 64.34 64.19 3i2f n VAL 131 Cb 0.48 -1.61 0.38 0.00 -0.91 0.00 0.00 33.84 32.18 3i2f n VAL 131 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3i2f h GLY 132 N 11.14 1.17 2.00 2.92 0.00 -2.00 -2.57 103.07 115.73 3i2f h GLY 132 Ca -0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 3i2f h GLY 132 CO 1.00 0.10 -0.15 -1.33 0.00 0.00 0.00 176.54 176.16 3i2f h GLY 133 N 0.69 0.00 -6.98 4.60 0.00 -1.89 -3.41 103.07 96.09 3i2f h GLY 133 Ca 0.44 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.21 3i2f h GLY 133 CO -0.19 0.00 1.22 -2.27 0.00 0.00 0.00 176.54 175.29 3i2f s LEU 134 N -7.15 3.48 -0.01 3.11 2.96 -0.97 -1.13 118.68 118.96 3i2f s LEU 134 Ca -0.02 0.91 0.18 0.00 -0.22 0.00 0.00 54.13 54.98 3i2f s LEU 134 Cb 0.12 -3.31 -0.25 0.00 0.50 0.00 0.00 46.19 43.26 3i2f s LEU 134 CO 0.60 -1.75 0.56 0.29 -1.32 0.00 0.00 176.35 174.73 3i2f n LYS 135 N 8.48 0.78 -3.58 1.98 4.76 0.63 -4.95 118.16 126.26 3i2f n LYS 135 Ca 0.20 -0.10 -0.12 0.00 -2.87 0.00 0.00 58.31 55.42 3i2f n LYS 135 Cb 0.48 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 32.22 3i2f n LYS 135 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i2f s ALA 136 N -3.03 -1.90 0.19 7.82 0.00 -1.25 -4.17 121.76 119.42 3i2f s ALA 136 Ca -0.01 1.62 0.05 0.00 0.00 0.00 0.00 51.96 53.62 3i2f s ALA 136 Cb 0.13 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 3i2f s ALA 136 CO 0.75 -0.31 -0.09 0.96 0.00 0.00 0.00 175.76 177.08 3i2f s ILE 137 N -0.79 1.33 -0.40 0.00 -4.36 -0.56 -1.94 121.20 114.48 3i2f s ILE 137 Ca -0.02 -2.10 0.08 0.00 -0.26 0.00 0.00 60.65 58.34 3i2f s ILE 137 Cb -0.01 -2.03 0.26 0.00 1.25 0.00 0.00 42.46 41.92 3i2f s ILE 137 CO 0.02 -0.60 0.58 0.00 0.24 0.00 0.00 174.94 175.18 3i2f n ALA 138 N -0.31 1.94 -2.54 2.27 0.00 -0.37 -0.95 120.51 120.55 3i2f n ALA 138 Ca -0.08 -3.16 -0.43 0.00 0.00 0.00 0.00 53.44 49.77 3i2f n ALA 138 Cb 0.61 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 3i2f n ALA 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i2f s PRO 139 N -1.03 4.10 -0.18 0.00 0.04 -1.14 -3.34 135.00 133.46 3i2f s PRO 139 Ca 0.35 1.31 -0.08 0.00 0.04 0.00 0.00 61.00 62.62 3i2f s PRO 139 Cb 0.19 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 3i2f s PRO 139 CO -0.12 -0.86 0.08 0.45 0.04 0.00 0.00 177.00 176.58 3i2f s SER 140 N 1.94 5.77 -1.24 6.66 0.15 -0.34 -2.95 113.70 123.68 3i2f s SER 140 Ca 0.50 0.13 -0.17 0.00 0.70 0.00 0.00 55.95 57.12 3i2f s SER 140 Cb -0.16 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 3i2f s SER 140 CO 0.15 0.20 0.64 0.23 1.20 0.00 0.00 173.24 175.67 3i2f n MET 141 N 3.38 -1.67 -3.64 5.44 2.81 0.10 -0.25 117.12 123.30 3i2f n MET 141 Ca -0.17 0.37 -0.17 0.00 -1.81 0.00 0.00 57.70 55.92 3i2f n MET 141 Cb 0.52 -3.97 -0.05 0.00 -0.71 0.00 0.00 33.22 29.02 3i2f n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i2f n ALA 142 N -4.40 0.42 -2.97 3.04 0.00 -1.26 -3.43 120.51 111.90 3i2f n ALA 142 Ca -0.17 -1.42 -0.11 0.00 0.00 0.00 0.00 53.44 51.75 3i2f n ALA 142 Cb 0.62 0.99 -0.09 0.00 0.00 0.00 0.00 19.45 20.97 3i2f n ALA 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i2f s SER 143 N -2.71 0.03 0.00 0.00 0.15 -1.26 -3.07 113.70 106.84 3i2f s SER 143 Ca 0.17 -0.29 0.14 0.00 0.70 0.00 0.00 55.95 56.67 3i2f s SER 143 Cb 0.01 0.25 0.26 0.00 -1.71 0.00 0.00 66.02 64.83 3i2f s SER 143 CO 0.12 -0.47 1.15 0.00 1.20 0.00 0.00 173.24 175.23 3i2f n ALA 144 N 1.03 2.34 -3.50 5.45 0.00 -1.26 -4.62 120.51 119.94 3i2f n ALA 144 Ca -0.21 -0.92 -0.22 0.00 0.00 0.00 0.00 53.44 52.09 3i2f n ALA 144 Cb 0.57 -0.51 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 3i2f n ALA 144 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i2f s ASP 145 N -1.08 2.23 0.38 0.00 -1.08 -1.26 -0.09 116.67 115.77 3i2f s ASP 145 Ca 0.23 -0.72 0.18 0.00 -0.52 0.00 0.00 52.55 51.72 3i2f s ASP 145 Cb 0.14 0.10 0.72 0.00 -1.46 0.00 0.00 42.92 42.41 3i2f s ASP 145 CO 0.19 -0.38 1.76 -0.07 0.52 0.00 0.00 175.17 177.19 3i2f h LEU 146 N 8.35 0.00 0.24 -1.34 -0.00 -1.85 -1.28 115.31 119.42 3i2f h LEU 146 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.70 3i2f h LEU 146 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 3i2f h LEU 146 CO 0.34 0.38 -0.12 0.22 -0.00 0.00 0.00 178.44 179.27 3i2f h TYR 147 N 0.00 -0.30 0.00 1.13 5.03 -1.96 -2.79 116.97 118.08 3i2f h TYR 147 Ca -0.00 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.23 3i2f h TYR 147 Cb 0.84 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.21 3i2f h TYR 147 CO 0.00 -0.03 -0.31 0.00 -1.32 0.00 0.00 178.16 176.50 3i2f h ARG 148 N -0.55 0.00 -2.08 1.82 3.08 -1.77 0.70 114.38 115.58 3i2f h ARG 148 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3i2f h ARG 148 Cb 0.40 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.24 3i2f h ARG 148 CO 0.05 0.31 0.01 0.00 -1.07 0.00 0.00 179.97 179.27 3i2f s ALA 149 N -3.93 -1.76 -2.61 0.04 0.00 -0.51 -3.94 121.76 109.05 3i2f s ALA 149 Ca -0.01 2.23 0.22 0.00 0.00 0.00 0.00 51.96 54.40 3i2f s ALA 149 Cb 0.12 -1.31 0.24 0.00 0.00 0.00 0.00 23.12 22.17 3i2f s ALA 149 CO 0.67 -0.36 1.24 -0.35 0.00 0.00 0.00 175.76 176.97 3i2f n PRO 150 N 3.93 2.16 0.07 0.00 -0.04 -1.19 -3.78 135.00 136.16 3i2f n PRO 150 Ca -0.19 -1.93 -0.21 0.00 -0.04 0.00 0.00 63.50 61.13 3i2f n PRO 150 Cb 0.58 -1.44 -0.15 0.00 -0.04 0.00 0.00 33.50 32.45 3i2f n PRO 150 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3i2f h TRP 151 N 4.27 0.64 0.00 0.54 -0.00 -1.62 -3.42 115.95 116.36 3i2f h TRP 151 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 58.89 58.42 3i2f h TRP 151 Cb 0.92 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 30.06 3i2f h TRP 151 CO 0.07 1.40 0.00 0.66 -0.00 0.00 0.00 178.44 180.57 3i2f n TYR 152 N -4.01 0.00 0.00 0.49 4.02 0.19 -0.16 117.16 117.69 3i2f n TYR 152 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 3i2f n TYR 152 Cb 0.90 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.22 3i2f n TYR 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i2f n GLY 153 N 5.00 0.32 0.28 2.72 0.00 -0.88 -4.34 105.19 108.28 3i2f n GLY 153 Ca 0.00 -1.14 0.19 0.00 0.00 0.00 0.00 46.02 45.07 3i2f n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2f h PRO 154 N 0.00 0.00 -0.00 1.61 0.13 -1.88 -2.41 132.00 129.44 3i2f h PRO 154 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i2f h PRO 154 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i2f h PRO 154 CO 0.00 0.00 -0.42 0.41 -0.23 0.00 0.00 178.00 177.76 3i2f n GLY 155 N -0.75 -1.08 2.04 1.56 0.00 -1.25 -4.97 105.19 100.74 3i2f n GLY 155 Ca -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 3i2f n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2f n GLY 156 N 1.45 0.32 3.59 -0.02 0.00 -0.91 -1.57 105.19 108.05 3i2f n GLY 156 Ca 0.07 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 3i2f n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2f s ALA 157 N -2.09 3.01 0.12 4.61 0.00 -1.26 -4.73 121.76 121.42 3i2f s ALA 157 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 3i2f s ALA 157 Cb 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 23.12 22.05 3i2f s ALA 157 CO 0.00 0.64 1.14 -1.17 0.00 0.00 0.00 175.76 176.37 3i2f s LEU 158 N -1.96 4.43 -1.28 0.00 2.96 -1.26 -3.69 118.68 117.88 3i2f s LEU 158 Ca 0.21 2.05 -0.15 0.00 -0.22 0.00 0.00 54.13 56.01 3i2f s LEU 158 Cb -0.11 -3.59 0.12 0.00 0.50 0.00 0.00 46.19 43.10 3i2f s LEU 158 CO 0.12 -0.33 1.69 -1.20 -1.32 0.00 0.00 176.35 175.31 3i2f n SER 159 N 3.05 4.96 -0.12 3.68 7.64 0.77 -1.30 113.62 132.30 3i2f n SER 159 Ca 0.05 -2.95 -0.05 0.00 1.01 0.00 0.00 58.87 56.93 3i2f n SER 159 Cb 0.46 -1.64 0.13 0.00 -1.01 0.00 0.00 64.21 62.15 3i2f n SER 159 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3i2f h VAL 160 N 4.86 1.25 -0.50 0.44 3.04 -1.69 -1.35 116.25 122.30 3i2f h VAL 160 Ca 0.41 -1.06 -0.10 0.00 -1.01 0.00 0.00 66.70 64.93 3i2f h VAL 160 Cb 0.82 0.90 -0.02 0.00 -2.01 0.00 0.00 31.29 30.99 3i2f h VAL 160 CO 1.44 0.37 -0.09 1.05 -1.01 0.00 0.00 177.57 179.33 3i2f h GLU 161 N 0.77 0.92 -0.29 4.17 -0.00 -1.67 -1.12 114.58 117.36 3i2f h GLU 161 Ca 0.14 -0.31 -0.01 0.00 -0.00 0.00 0.00 59.36 59.18 3i2f h GLU 161 Cb 0.50 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 29.16 3i2f h GLU 161 CO 0.03 0.96 0.13 0.00 -0.00 0.00 0.00 179.01 180.13 3i2f h ALA 162 N 1.06 0.38 0.16 1.06 0.00 -1.68 -1.76 119.26 118.49 3i2f h ALA 162 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3i2f h ALA 162 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i2f h ALA 162 CO 0.04 -0.05 -0.08 1.25 0.00 0.00 0.00 179.25 180.41 3i2f h LEU 163 N 0.33 -0.18 -0.41 0.00 5.85 -1.02 -1.19 115.31 118.69 3i2f h LEU 163 Ca 0.10 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3i2f h LEU 163 Cb 0.15 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3i2f h LEU 163 CO -0.01 -0.07 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.79 3i2f h LEU 164 N -0.28 0.85 0.02 2.25 3.38 -1.25 -1.83 115.31 118.45 3i2f h LEU 164 Ca -0.02 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 3i2f h LEU 164 Cb 0.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3i2f h LEU 164 CO 0.04 1.04 -0.01 1.23 0.09 0.00 0.00 178.44 180.83 3i2f h GLY 165 N 0.65 -0.03 0.88 0.83 0.00 -1.30 -0.88 103.07 103.21 3i2f h GLY 165 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3i2f h GLY 165 CO 0.05 -0.01 0.07 -0.25 0.00 0.00 0.00 176.54 176.40 3i2f h TRP 166 N -0.16 0.32 -0.92 5.60 7.01 -1.24 -1.70 115.95 124.85 3i2f h TRP 166 Ca -0.00 -0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.04 3i2f h TRP 166 Cb 0.15 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.05 3i2f h TRP 166 CO -0.03 0.39 0.58 0.77 -2.79 0.00 0.00 178.44 177.35 3i2f h SER 167 N 0.16 0.90 -0.60 2.65 0.02 -1.26 0.40 113.55 115.82 3i2f h SER 167 Ca 0.07 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3i2f h SER 167 Cb 0.21 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3i2f h SER 167 CO -0.00 0.55 0.28 0.00 -1.14 0.00 0.00 176.83 176.52 3i2f h ALA 168 N 1.45 1.31 -0.29 3.77 0.00 -0.93 0.11 119.26 124.68 3i2f h ALA 168 Ca 0.41 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3i2f h ALA 168 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3i2f h ALA 168 CO -0.19 0.53 -0.11 1.25 0.00 0.00 0.00 179.25 180.72 3i2f h LEU 169 N 0.90 0.61 -0.26 0.00 5.85 -0.12 -1.54 115.31 120.75 3i2f h LEU 169 Ca 0.22 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 3i2f h LEU 169 Cb 0.13 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3i2f h LEU 169 CO -0.02 0.86 -0.06 0.40 -0.34 0.00 0.00 178.44 179.28 3i2f h ILE 170 N 0.35 1.28 -0.68 4.05 1.08 -0.83 -2.48 117.51 120.27 3i2f h ILE 170 Ca 0.07 -1.07 0.14 0.00 -0.39 0.00 0.00 64.86 63.61 3i2f h ILE 170 Cb 0.62 1.45 -0.10 0.00 -3.07 0.00 0.00 36.82 35.71 3i2f h ILE 170 CO 0.04 0.33 0.14 1.23 -0.69 0.00 0.00 178.15 179.20 3i2f h GLY 171 N 0.25 0.90 1.85 5.37 0.00 -0.74 0.10 103.07 110.80 3i2f h GLY 171 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3i2f h GLY 171 CO 0.02 -0.17 -0.14 3.21 0.00 0.00 0.00 176.54 179.46 3i2f h ARG 172 N 0.25 0.18 -0.05 4.80 3.08 -1.06 -2.46 114.38 119.12 3i2f h ARG 172 Ca 0.37 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.30 3i2f h ARG 172 Cb 0.61 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3i2f h ARG 172 CO -0.48 0.33 -0.31 1.96 -1.07 0.00 0.00 179.97 180.40 3i2f h GLN 173 N 0.17 0.29 -0.81 0.04 4.20 -0.60 -2.45 115.11 115.95 3i2f h GLN 173 Ca 0.04 -0.25 0.19 0.00 0.06 0.00 0.00 58.65 58.69 3i2f h GLN 173 Cb 0.36 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 3i2f h GLN 173 CO 0.02 0.91 0.55 -0.07 -0.67 0.00 0.00 178.83 179.57 3i2f h LEU 174 N -0.24 0.26 0.05 1.46 3.38 -0.65 -2.04 115.31 117.53 3i2f h LEU 174 Ca -0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i2f h LEU 174 Cb 0.98 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3i2f h LEU 174 CO 0.06 0.11 -0.03 0.40 0.09 0.00 0.00 178.44 179.08 3i2f h ILE 175 N 0.26 0.00 -1.04 1.22 2.04 -1.43 -3.30 117.51 115.26 3i2f h ILE 175 Ca 0.40 -0.60 0.30 0.00 1.00 0.00 0.00 64.86 65.96 3i2f h ILE 175 Cb 1.18 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3i2f h ILE 175 CO -0.10 0.00 0.84 0.74 0.00 0.00 0.00 178.15 179.63 3i2f h THR 176 N -0.68 0.33 -0.62 -0.27 2.02 -1.32 -0.02 112.91 112.36 3i2f h THR 176 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3i2f h THR 176 Cb 0.05 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3i2f h THR 176 CO 0.01 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.36 3i2f n SER 177 N -3.95 5.30 -4.66 4.18 3.41 -0.78 -4.77 113.62 112.36 3i2f n SER 177 Ca 0.22 -2.70 -0.43 0.00 -0.26 0.00 0.00 58.87 55.70 3i2f n SER 177 Cb 1.19 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 3i2f n SER 177 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i2f s ARG 178 N -2.33 4.23 0.12 4.33 0.52 -0.02 -4.84 118.95 120.97 3i2f s ARG 178 Ca 0.53 1.38 -0.16 0.00 -0.52 0.00 0.00 55.73 56.96 3i2f s ARG 178 Cb 0.38 -3.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 3i2f s ARG 178 CO 0.20 -0.68 1.64 0.66 0.02 0.00 0.00 175.30 177.15 3i2f h SER 179 N 7.67 0.54 -3.41 0.23 4.64 -1.88 -3.39 113.55 117.94 3i2f h SER 179 Ca -0.20 -0.20 -0.64 0.00 -0.47 0.00 0.00 61.79 60.27 3i2f h SER 179 Cb 1.07 -0.14 -0.22 0.00 -0.31 0.00 0.00 62.40 62.80 3i2f h SER 179 CO 0.98 0.60 -0.64 -1.81 -0.87 0.00 0.00 176.83 175.09 3i2f s ASP 180 N -5.89 4.96 -0.14 4.97 1.01 -1.26 -5.09 116.67 115.23 3i2f s ASP 180 Ca -0.13 -0.15 -0.21 0.00 0.71 0.00 0.00 52.55 52.77 3i2f s ASP 180 Cb 0.10 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.15 3i2f s ASP 180 CO 0.75 0.09 0.61 0.00 0.21 0.00 0.00 175.17 176.83 3i2f s ALA 181 N 0.86 3.46 0.85 5.23 0.00 -1.26 -5.07 121.76 125.82 3i2f s ALA 181 Ca 0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 3i2f s ALA 181 Cb -0.14 -2.88 0.09 0.00 0.00 0.00 0.00 23.12 20.19 3i2f s ALA 181 CO 0.02 -0.27 1.10 0.54 0.00 0.00 0.00 175.76 177.15 3i2f n ARG 182 N 4.30 -0.04 -0.34 0.00 1.74 -1.26 -4.97 116.66 116.10 3i2f n ARG 182 Ca -0.03 0.07 -0.03 0.00 -0.77 0.00 0.00 57.85 57.08 3i2f n ARG 182 Cb 0.51 -2.35 0.09 0.00 -1.02 0.00 0.00 32.46 29.68 3i2f n ARG 182 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3i2f h PRO 183 N -1.22 1.23 0.00 5.56 0.11 -2.06 -2.97 132.00 132.65 3i2f h PRO 183 Ca -0.45 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3i2f h PRO 183 Cb 1.29 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3i2f h PRO 183 CO 0.43 0.85 0.00 1.05 -0.21 0.00 0.00 178.00 180.13 3i2f h GLU 184 N 1.25 0.00 -0.57 1.05 9.09 -2.03 -3.36 114.58 120.02 3i2f h GLU 184 Ca 0.33 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.85 3i2f h GLU 184 Cb -0.07 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 26.92 3i2f h GLU 184 CO -0.06 0.00 -0.22 -0.44 0.05 0.00 0.00 179.01 178.33 3i2f h ASP 185 N 0.00 -0.79 -0.90 3.06 5.19 -1.90 -0.79 116.42 120.29 3i2f h ASP 185 Ca 0.00 0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.62 3i2f h ASP 185 Cb 0.55 0.45 -0.05 0.00 0.18 0.00 0.00 39.33 40.46 3i2f h ASP 185 CO 0.00 -0.25 0.59 0.00 -3.12 0.00 0.00 179.24 176.47 3i2f h ALA 186 N 1.33 1.15 0.20 3.45 0.00 -1.79 -0.82 119.26 122.78 3i2f h ALA 186 Ca 0.26 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 3i2f h ALA 186 Cb 0.49 -0.36 0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i2f h ALA 186 CO -0.63 0.52 -1.39 0.00 0.00 0.00 0.00 179.25 177.75 3i2f h ALA 187 N 1.34 -0.05 -0.69 0.00 0.00 -1.74 -2.96 119.26 115.16 3i2f h ALA 187 Ca 0.33 -0.88 0.02 0.00 0.00 0.00 0.00 54.91 54.38 3i2f h ALA 187 Cb -0.12 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3i2f h ALA 187 CO -0.08 0.82 0.44 -0.44 0.00 0.00 0.00 179.25 180.00 3i2f h ASP 188 N 0.12 0.75 -0.34 0.00 3.32 -1.01 -1.73 116.42 117.53 3i2f h ASP 188 Ca -0.21 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.87 3i2f h ASP 188 Cb 2.09 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 41.43 3i2f h ASP 188 CO 0.24 0.53 0.11 0.15 -1.72 0.00 0.00 179.24 178.56 3i2f h PHE 189 N 0.89 0.20 -0.89 4.55 3.04 -1.17 -0.81 116.94 122.76 3i2f h PHE 189 Ca 0.26 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.22 3i2f h PHE 189 Cb -0.04 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.38 3i2f h PHE 189 CO -0.03 0.08 0.51 0.28 -2.02 0.00 0.00 178.31 177.13 3i2f h VAL 190 N 0.26 1.25 -0.48 1.41 2.07 -1.32 -2.02 116.25 117.43 3i2f h VAL 190 Ca 0.16 -0.57 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 3i2f h VAL 190 Cb 0.13 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3i2f h VAL 190 CO -0.16 0.27 -0.11 1.56 0.02 0.00 0.00 177.57 179.15 3i2f h GLN 191 N 1.23 0.92 -0.33 1.57 4.20 -0.47 -1.53 115.11 120.70 3i2f h GLN 191 Ca 0.32 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3i2f h GLN 191 Cb -0.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3i2f h GLN 191 CO -0.06 1.00 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.98 3i2f h LEU 192 N 0.76 0.50 -0.69 1.46 3.38 -1.02 -1.63 115.31 118.08 3i2f h LEU 192 Ca 0.12 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3i2f h LEU 192 Cb 0.65 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3i2f h LEU 192 CO 0.05 0.61 0.27 0.00 0.09 0.00 0.00 178.44 179.46 3i2f h ALA 193 N 1.45 0.89 -0.85 1.53 0.00 -1.09 -2.21 119.26 118.99 3i2f h ALA 193 Ca 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3i2f h ALA 193 Cb 0.40 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3i2f h ALA 193 CO 0.02 0.51 0.46 0.00 0.00 0.00 0.00 179.25 180.24 3i2f h ALA 194 N 1.12 1.21 0.02 0.00 0.00 -0.48 0.68 119.26 121.81 3i2f h ALA 194 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i2f h ALA 194 Cb 0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3i2f h ALA 194 CO -0.02 0.63 -0.03 0.82 0.00 0.00 0.00 179.25 180.66 3i2f h ILE 195 N 1.19 0.93 0.00 0.00 2.04 -1.15 -2.31 117.51 118.21 3i2f h ILE 195 Ca 0.30 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.13 3i2f h ILE 195 Cb 0.04 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3i2f h ILE 195 CO -0.05 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 177.90 3i2f h LEU 196 N -0.06 0.00 0.00 1.44 3.38 -0.75 -0.85 115.31 118.48 3i2f h LEU 196 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i2f h LEU 196 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i2f h LEU 196 CO -0.02 0.14 -0.10 0.59 0.09 0.00 0.00 178.44 179.15 3i2f n ASN 197 N -4.35 0.32 -2.87 -0.43 3.02 0.17 -4.41 115.26 106.71 3i2f n ASN 197 Ca -0.03 0.41 -0.12 0.00 -0.03 0.00 0.00 54.58 54.82 3i2f n ASN 197 Cb 0.21 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 38.94 3i2f n ASN 197 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i2f n ASP 198 N -1.75 -2.10 -0.18 6.41 2.03 -0.44 -5.00 116.55 115.52 3i2f n ASP 198 Ca 0.06 -3.13 -0.09 0.00 0.52 0.00 0.00 54.79 52.15 3i2f n ASP 198 Cb 0.37 1.17 0.01 0.00 -0.72 0.00 0.00 41.12 41.95 3i2f n ASP 198 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3i2f h VAL 199 N 2.80 1.25 -0.67 5.18 2.07 -1.44 -1.16 116.25 124.27 3i2f h VAL 199 Ca -0.08 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.55 3i2f h VAL 199 Cb 0.99 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3i2f h VAL 199 CO 0.36 0.33 0.43 0.00 0.02 0.00 0.00 177.57 178.70 3i2f h ALA 200 N 0.98 0.87 -0.38 1.67 0.00 -1.95 0.61 119.26 121.06 3i2f h ALA 200 Ca 0.15 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3i2f h ALA 200 Cb 0.38 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3i2f h ALA 200 CO 0.01 0.22 0.16 0.78 0.00 0.00 0.00 179.25 180.42 3i2f h GLY 201 N 0.86 0.50 1.15 0.00 0.00 -1.86 -1.62 103.07 102.10 3i2f h GLY 201 Ca 0.26 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 3i2f h GLY 201 CO -0.08 0.06 0.21 0.00 0.00 0.00 0.00 176.54 176.72 3i2f h ALA 202 N 1.22 1.07 0.00 3.60 0.00 -0.72 -2.53 119.26 121.90 3i2f h ALA 202 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3i2f h ALA 202 Cb 0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3i2f h ALA 202 CO -0.15 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.63 3i2f h ALA 203 N 1.20 1.08 0.00 0.00 0.00 -0.72 -3.14 119.26 117.69 3i2f h ALA 203 Ca 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i2f h ALA 203 Cb 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i2f h ALA 203 CO -0.01 0.12 -0.13 0.77 0.00 0.00 0.00 179.25 180.01 3i2f h SER 204 N 0.00 0.00 -2.95 0.00 0.02 -0.84 -3.45 113.55 106.33 3i2f h SER 204 Ca -0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 3i2f h SER 204 Cb 0.47 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 3i2f h SER 204 CO 0.01 0.13 0.80 0.68 -1.14 0.00 0.00 176.83 177.31 3i2f s VAL 205 N -3.53 3.78 0.02 2.27 -7.23 -1.19 -5.01 120.40 109.51 3i2f s VAL 205 Ca 0.02 1.17 0.06 0.00 -1.81 0.00 0.00 61.98 61.42 3i2f s VAL 205 Cb 0.09 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.24 3i2f s VAL 205 CO 0.62 0.01 -0.15 0.42 -0.31 0.00 0.00 175.10 175.69 3i2f s THR 206 N 2.24 3.02 0.27 5.32 -4.23 -1.26 -3.43 115.64 117.57 3i2f s THR 206 Ca 0.62 -1.02 -0.29 0.00 -1.18 0.00 0.00 61.69 59.82 3i2f s THR 206 Cb -0.31 -2.27 -0.09 0.00 1.34 0.00 0.00 72.50 71.17 3i2f s THR 206 CO 0.26 0.39 1.09 -2.84 -0.54 0.00 0.00 174.62 172.99 3i2f s PRO 207 N -1.31 4.65 0.37 3.99 0.02 -1.26 -4.76 135.00 136.70 3i2f s PRO 207 Ca 0.15 1.79 0.14 0.00 0.02 0.00 0.00 61.00 63.09 3i2f s PRO 207 Cb -0.11 -3.20 0.97 0.00 0.02 0.00 0.00 34.50 32.18 3i2f s PRO 207 CO 0.05 0.22 1.81 1.25 -0.33 0.00 0.00 177.00 180.00 3i2f h LEU 208 N 3.89 0.55 -1.06 -5.54 5.85 -1.41 -1.88 115.31 115.72 3i2f h LEU 208 Ca -0.47 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3i2f h LEU 208 Cb 1.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3i2f h LEU 208 CO 0.67 0.19 0.00 0.00 -0.34 0.00 0.00 178.44 178.96 3i2f h ALA 209 N 1.62 1.00 -1.51 1.25 0.00 -1.40 -3.39 119.26 116.83 3i2f h ALA 209 Ca 0.54 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.88 3i2f h ALA 209 Cb 1.16 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 3i2f h ALA 209 CO -0.28 0.00 0.86 -1.21 0.00 0.00 0.00 179.25 178.62 3i2f s GLU 210 N -3.47 3.22 -0.57 0.00 2.02 -0.71 -4.94 118.70 114.25 3i2f s GLU 210 Ca 0.03 -0.34 0.04 0.00 0.02 0.00 0.00 54.97 54.72 3i2f s GLU 210 Cb 0.09 -4.16 0.17 0.00 0.10 0.00 0.00 34.13 30.33 3i2f s GLU 210 CO 0.43 -1.94 0.41 -0.65 0.02 0.00 0.00 175.26 173.54 3i2f s GLN 211 N 5.02 1.77 0.20 1.61 -1.52 -1.26 -4.92 119.66 120.55 3i2f s GLN 211 Ca 0.32 -2.76 -0.10 0.00 -1.95 0.00 0.00 55.36 50.86 3i2f s GLN 211 Cb -0.11 -2.56 0.23 0.00 -0.22 0.00 0.00 33.01 30.35 3i2f s GLN 211 CO 0.15 -1.32 1.77 -1.00 -0.25 0.00 0.00 175.29 174.65 3i2f h PRO 212 N 5.60 0.50 0.10 2.91 0.13 -1.97 0.10 132.00 139.37 3i2f h PRO 212 Ca 0.18 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 3i2f h PRO 212 Cb 0.83 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3i2f h PRO 212 CO 0.57 0.33 -0.05 1.25 -0.23 0.00 0.00 178.00 179.87 3i2f h LEU 213 N 0.51 -0.12 -0.57 1.56 5.85 -1.99 -3.13 115.31 117.43 3i2f h LEU 213 Ca 0.28 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3i2f h LEU 213 Cb 0.25 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3i2f h LEU 213 CO -0.23 0.47 0.11 -0.07 -0.34 0.00 0.00 178.44 178.38 3i2f h LEU 214 N -1.00 0.88 -1.56 2.25 3.38 -1.93 -1.38 115.31 115.96 3i2f h LEU 214 Ca -0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3i2f h LEU 214 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3i2f h LEU 214 CO 0.02 0.91 -0.13 1.23 0.09 0.00 0.00 178.44 180.56 3i2f h GLY 215 N 0.82 0.12 0.17 0.83 0.00 -0.97 0.31 103.07 104.36 3i2f h GLY 215 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3i2f h GLY 215 CO 0.01 0.07 -0.01 -0.09 0.00 0.00 0.00 176.54 176.51 3i2f h ARG 216 N 0.11 -0.02 0.02 4.80 2.43 -1.44 -2.58 114.38 117.70 3i2f h ARG 216 Ca 0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3i2f h ARG 216 Cb 0.31 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3i2f h ARG 216 CO 0.02 0.72 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.12 3i2f h LEU 217 N -0.85 -0.03 -6.92 3.80 3.38 -1.15 -3.38 115.31 110.15 3i2f h LEU 217 Ca -0.00 -0.07 -0.61 0.00 0.09 0.00 0.00 57.88 57.29 3i2f h LEU 217 Cb 0.76 0.01 -0.40 0.00 0.09 0.00 0.00 40.66 41.11 3i2f h LEU 217 CO 0.00 0.05 -0.75 -0.63 0.09 0.00 0.00 178.44 177.20 3i2f s ILE 218 N -5.91 1.32 0.43 1.22 1.01 0.11 -5.01 121.20 114.37 3i2f s ILE 218 Ca -0.14 -2.59 0.21 0.00 0.00 0.00 0.00 60.65 58.13 3i2f s ILE 218 Cb 0.05 -1.92 0.41 0.00 0.01 0.00 0.00 42.46 41.01 3i2f s ILE 218 CO 0.66 -0.93 1.81 -0.65 0.00 0.00 0.00 174.94 175.83 3i2f h PRO 219 N 6.61 0.32 -1.24 2.79 0.11 -1.62 -2.28 132.00 136.69 3i2f h PRO 219 Ca 0.02 -0.02 0.36 0.00 0.11 0.00 0.00 66.00 66.47 3i2f h PRO 219 Cb 0.92 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.89 3i2f h PRO 219 CO 0.47 0.21 0.87 2.35 -0.21 0.00 0.00 178.00 181.70 3i2f h TRP 220 N 0.33 0.14 -0.50 0.65 7.01 -1.91 -1.06 115.95 120.60 3i2f h TRP 220 Ca 0.54 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.63 3i2f h TRP 220 Cb 1.50 -0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 28.45 3i2f h TRP 220 CO -0.00 -0.00 0.13 0.28 -2.79 0.00 0.00 178.44 176.06 3i2f h VAL 221 N 0.07 0.76 0.00 2.65 2.07 -1.73 -0.97 116.25 119.09 3i2f h VAL 221 Ca 0.62 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.97 3i2f h VAL 221 Cb 2.29 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 3i2f h VAL 221 CO -0.08 0.05 -0.62 0.40 0.02 0.00 0.00 177.57 177.34 3i2f h ILE 222 N 0.28 0.47 -0.71 4.57 1.08 -1.61 -0.86 117.51 120.73 3i2f h ILE 222 Ca 0.25 -1.51 0.14 0.00 -0.39 0.00 0.00 64.86 63.35 3i2f h ILE 222 Cb 0.32 1.05 -0.10 0.00 -3.07 0.00 0.00 36.82 35.02 3i2f h ILE 222 CO -0.30 0.16 0.22 0.44 -0.69 0.00 0.00 178.15 177.98 3i2f h ASP 223 N -1.00 0.12 0.00 1.72 3.32 -1.24 -0.59 116.42 118.75 3i2f h ASP 223 Ca -0.11 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3i2f h ASP 223 Cb 0.74 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 3i2f h ASP 223 CO -0.07 0.03 -0.99 1.67 -1.72 0.00 0.00 179.24 178.16 3i2f n GLN 224 N -5.09 0.51 -0.02 3.56 -0.06 -0.40 -4.57 117.38 111.31 3i2f n GLN 224 Ca 0.13 0.38 -0.01 0.00 -2.00 0.00 0.00 57.00 55.50 3i2f n GLN 224 Cb 0.41 -1.57 -0.01 0.00 -4.06 0.00 0.00 30.24 25.01 3i2f n GLN 224 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3i2f h VAL 225 N -1.00 0.05 -0.35 1.69 2.07 -1.38 -3.05 116.25 114.28 3i2f h VAL 225 Ca -0.11 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 3i2f h VAL 225 Cb 0.90 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3i2f h VAL 225 CO -0.07 0.02 -0.18 0.58 0.02 0.00 0.00 177.57 177.94 3i2f h VAL 226 N -1.02 1.26 0.00 2.57 2.07 -1.10 -2.98 116.25 117.05 3i2f h VAL 226 Ca -0.01 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3i2f h VAL 226 Cb 0.07 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3i2f h VAL 226 CO 0.01 0.40 0.00 0.44 0.02 0.00 0.00 177.57 178.44 3i2f h ASP 227 N 0.58 0.00 -2.77 0.57 3.32 -1.26 -3.38 116.42 113.48 3i2f h ASP 227 Ca 0.09 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.48 3i2f h ASP 227 Cb 0.63 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.80 3i2f h ASP 227 CO 0.04 0.00 -0.23 1.41 -1.72 0.00 0.00 179.24 178.75 3i2f n HIS 228 N -2.36 3.53 0.31 4.55 8.25 -1.13 -4.89 115.22 123.48 3i2f n HIS 228 Ca 0.04 -3.93 0.15 0.00 -0.26 0.00 0.00 57.72 53.72 3i2f n HIS 228 Cb 0.37 -0.84 0.52 0.00 1.12 0.00 0.00 29.99 31.16 3i2f n HIS 228 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i2f h PRO 229 N 5.07 0.00 -6.59 -0.41 0.13 -1.77 -3.44 132.00 125.00 3i2f h PRO 229 Ca 0.18 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.80 3i2f h PRO 229 Cb 0.71 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 3i2f h PRO 229 CO 0.90 0.00 -0.03 -0.51 -0.23 0.00 0.00 178.00 178.13 3i2f s ASP 230 N -5.51 6.60 -1.33 1.44 1.01 -1.26 -4.94 116.67 112.68 3i2f s ASP 230 Ca 0.04 0.99 -0.13 0.00 0.71 0.00 0.00 52.55 54.15 3i2f s ASP 230 Cb 0.08 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 3i2f s ASP 230 CO 0.55 -0.19 2.36 -3.20 0.21 0.00 0.00 175.17 174.90 3i2f n ASN 231 N -0.58 5.05 -3.61 0.27 5.15 -0.09 -4.86 115.26 116.59 3i2f n ASN 231 Ca 0.01 -2.69 -0.15 0.00 -0.60 0.00 0.00 54.58 51.16 3i2f n ASN 231 Cb 0.53 -1.48 0.08 0.00 -0.53 0.00 0.00 39.78 38.38 3i2f n ASN 231 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3i2f n ASP 232 N 5.46 0.85 0.27 1.20 5.68 -1.26 -4.64 116.55 124.11 3i2f n ASP 232 Ca 0.58 -1.72 0.13 0.00 -0.50 0.00 0.00 54.79 53.28 3i2f n ASP 232 Cb 0.32 -0.41 0.81 0.00 -1.14 0.00 0.00 41.12 40.70 3i2f n ASP 232 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i2f h GLU 233 N 0.00 0.00 0.00 0.11 4.11 -1.98 0.16 114.58 116.97 3i2f h GLU 233 Ca -0.21 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.19 3i2f h GLU 233 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3i2f h GLU 233 CO 0.22 0.00 -0.14 0.66 0.07 0.00 0.00 179.01 179.82 3i2f h SER 234 N 0.00 0.00 0.09 3.06 4.64 -1.94 -0.11 113.55 119.29 3i2f h SER 234 Ca 0.02 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.11 3i2f h SER 234 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3i2f h SER 234 CO -0.00 0.14 -1.17 -0.50 -0.87 0.00 0.00 176.83 174.43 3i2f h TRP 235 N 0.00 0.35 0.00 4.77 4.06 -1.05 -3.36 115.95 120.72 3i2f h TRP 235 Ca -0.00 -0.26 -0.03 0.00 2.06 0.00 0.00 58.89 60.66 3i2f h TRP 235 Cb 0.28 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.43 3i2f h TRP 235 CO 0.00 1.46 -0.17 1.96 -3.56 0.00 0.00 178.44 178.13 3i2f h GLN 236 N -0.48 0.00 -0.63 0.49 4.20 -1.27 -1.42 115.11 116.00 3i2f h GLN 236 Ca -0.26 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.49 3i2f h GLN 236 Cb 1.61 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.35 3i2f h GLN 236 CO 0.03 0.17 0.41 1.03 -0.67 0.00 0.00 178.83 179.80 3i2f h SER 237 N 0.00 0.62 -0.02 1.46 0.87 -1.16 -2.38 113.55 112.94 3i2f h SER 237 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3i2f h SER 237 Cb 0.36 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3i2f h SER 237 CO 0.02 0.42 -0.25 2.30 -0.53 0.00 0.00 176.83 178.79 3i2f n ILE 238 N -4.47 0.00 -2.54 2.23 -5.35 -0.66 -4.97 119.36 103.61 3i2f n ILE 238 Ca 0.08 -0.37 -0.41 0.00 -0.27 0.00 0.00 62.75 61.77 3i2f n ILE 238 Cb 0.15 1.29 -0.04 0.00 -1.74 0.00 0.00 39.64 39.31 3i2f n ILE 238 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3i2f s SER 239 N -1.98 7.27 -0.00 7.28 0.15 -0.63 -4.74 113.70 121.05 3i2f s SER 239 Ca 0.18 2.00 0.21 0.00 0.70 0.00 0.00 55.95 59.04 3i2f s SER 239 Cb 0.16 -2.59 -0.23 0.00 -1.71 0.00 0.00 66.02 61.64 3i2f s SER 239 CO 0.40 -0.25 0.87 0.18 1.20 0.00 0.00 173.24 175.63 3i2f n LEU 240 N 2.86 0.94 -0.24 3.45 7.99 0.88 -4.77 117.00 128.10 3i2f n LEU 240 Ca 0.04 -0.48 -0.04 0.00 -0.01 0.00 0.00 56.01 55.52 3i2f n LEU 240 Cb 0.47 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.84 3i2f n LEU 240 CO 0.54 0.24 1.15 0.15 -1.51 0.00 0.00 177.39 177.95 3i2f h PHE 241 N 0.00 0.84 -0.46 -1.77 3.57 -1.80 -2.52 116.94 114.79 3i2f h PHE 241 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 3i2f h PHE 241 Cb 0.51 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3i2f h PHE 241 CO 0.00 0.51 0.01 0.93 -2.23 0.00 0.00 178.31 177.52 3i2f h GLU 242 N 0.89 0.75 0.00 1.11 4.39 -1.90 -2.54 114.58 117.28 3i2f h GLU 242 Ca 0.26 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3i2f h GLU 242 Cb -0.05 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3i2f h GLU 242 CO -0.08 0.76 0.00 0.54 -1.16 0.00 0.00 179.01 179.07 3i2f n ARG 243 N -4.23 0.14 -0.25 2.33 1.74 -0.96 -3.80 116.66 111.64 3i2f n ARG 243 Ca 0.02 0.38 -0.07 0.00 -0.77 0.00 0.00 57.85 57.41 3i2f n ARG 243 Cb 0.29 -1.78 0.04 0.00 -1.02 0.00 0.00 32.46 30.00 3i2f n ARG 243 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i2f h LEU 244 N 0.00 1.05 -1.61 0.55 3.38 -1.39 -2.63 115.31 114.66 3i2f h LEU 244 Ca 0.00 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 57.84 3i2f h LEU 244 Cb 0.33 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3i2f h LEU 244 CO 0.00 1.00 0.41 1.23 0.09 0.00 0.00 178.44 181.17 3i2f h GLY 245 N 1.04 0.62 2.00 0.83 0.00 -1.75 -0.49 103.07 105.32 3i2f h GLY 245 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3i2f h GLY 245 CO 0.00 0.11 0.00 -1.33 0.00 0.00 0.00 176.54 175.32 3i2f h GLY 246 N 0.44 0.00 -2.19 4.60 0.00 -1.70 -3.47 103.07 100.76 3i2f h GLY 246 Ca 0.29 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.12 3i2f h GLY 246 CO -0.08 0.00 0.13 1.08 0.00 0.00 0.00 176.54 177.67 3i2f s LEU 247 N -5.76 3.69 -0.21 3.11 1.43 -0.20 -5.01 118.68 115.75 3i2f s LEU 247 Ca -0.01 1.05 0.16 0.00 -1.03 0.00 0.00 54.13 54.30 3i2f s LEU 247 Cb 0.10 -3.98 0.46 0.00 0.03 0.00 0.00 46.19 42.80 3i2f s LEU 247 CO 0.43 -0.51 1.17 0.00 0.23 0.00 0.00 176.35 177.67 3i2f n ALA 248 N -1.85 3.53 -2.64 4.21 0.00 -1.26 -4.74 120.51 117.75 3i2f n ALA 248 Ca 0.02 -3.11 -0.38 0.00 0.00 0.00 0.00 53.44 49.96 3i2f n ALA 248 Cb 0.55 -0.57 -0.09 0.00 0.00 0.00 0.00 19.45 19.34 3i2f n ALA 248 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i2f s THR 249 N -3.20 5.25 0.48 0.00 2.01 -1.26 -4.76 115.64 114.15 3i2f s THR 249 Ca 0.38 0.49 -0.24 0.00 0.31 0.00 0.00 61.69 62.62 3i2f s THR 249 Cb 0.37 -3.64 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 3i2f s THR 249 CO -0.05 0.25 1.41 -2.84 -0.69 0.00 0.00 174.62 172.71 3i2f s PRO 250 N 1.47 3.53 -0.03 4.92 0.02 -1.26 -4.79 135.00 138.87 3i2f s PRO 250 Ca 0.14 2.38 -0.01 0.00 0.02 0.00 0.00 61.00 63.53 3i2f s PRO 250 Cb -0.15 -2.55 0.03 0.00 0.02 0.00 0.00 34.50 31.86 3i2f s PRO 250 CO 0.08 -0.93 0.05 0.00 -0.33 0.00 0.00 177.00 175.87 3i2f s ALA 251 N -1.23 0.13 -0.48 -1.55 0.00 -0.99 -1.50 121.76 116.14 3i2f s ALA 251 Ca 0.64 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.70 3i2f s ALA 251 Cb -0.43 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.31 3i2f s ALA 251 CO 0.54 -0.29 0.52 -1.17 0.00 0.00 0.00 175.76 175.36 3i2f s LEU 252 N 1.60 5.17 -0.23 0.00 0.20 -0.12 -1.08 118.68 124.23 3i2f s LEU 252 Ca -0.02 -1.02 -0.07 0.00 0.69 0.00 0.00 54.13 53.71 3i2f s LEU 252 Cb -0.12 -2.35 -0.03 0.00 -0.43 0.00 0.00 46.19 43.26 3i2f s LEU 252 CO -0.03 -0.77 0.05 -0.63 -0.29 0.00 0.00 176.35 174.68 3i2f s ILE 253 N 2.23 4.23 -0.06 6.68 1.01 0.27 -2.86 121.20 132.69 3i2f s ILE 253 Ca 0.11 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.57 3i2f s ILE 253 Cb -0.21 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 3i2f s ILE 253 CO 0.10 0.38 -0.11 -0.89 0.00 0.00 0.00 174.94 174.42 3i2f s THR 254 N 1.34 3.34 0.16 2.92 2.01 -1.15 -0.70 115.64 123.55 3i2f s THR 254 Ca 0.05 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 3i2f s THR 254 Cb -0.15 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 3i2f s THR 254 CO 0.03 0.59 0.18 0.00 -0.69 0.00 0.00 174.62 174.72 3i2f s ALA 255 N -0.72 0.57 0.00 7.40 0.00 0.02 0.00 121.76 129.04 3i2f s ALA 255 Ca 0.11 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.84 3i2f s ALA 255 Cb -0.11 0.99 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 3i2f s ALA 255 CO 0.01 -0.59 -0.18 0.20 0.00 0.00 0.00 175.76 175.20 3i2f s GLY 256 N -3.04 0.92 0.57 0.00 0.00 -1.26 -2.48 107.32 102.02 3i2f s GLY 256 Ca 0.25 -0.84 0.26 0.00 0.00 0.00 0.00 44.72 44.39 3i2f s GLY 256 CO 0.04 -0.73 2.13 1.49 0.00 0.00 0.00 173.10 176.03 3i2f h TRP 257 N 5.44 0.00 -0.29 1.90 -0.00 -1.16 -1.92 115.95 119.92 3i2f h TRP 257 Ca -0.38 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.45 3i2f h TRP 257 Cb 1.15 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 30.28 3i2f h TRP 257 CO 0.43 0.00 -0.01 0.66 -0.00 0.00 0.00 178.44 179.53 3i2f n TYR 258 N -4.03 0.98 -3.63 0.49 4.01 -0.67 -4.91 117.16 109.40 3i2f n TYR 258 Ca 0.01 -1.10 -0.37 0.00 -0.16 0.00 0.00 57.90 56.28 3i2f n TYR 258 Cb 0.26 -0.37 -0.07 0.00 -0.31 0.00 0.00 39.34 38.85 3i2f n TYR 258 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i2f s ASP 259 N -2.14 6.49 0.58 7.72 2.15 -0.72 -4.22 116.67 126.53 3i2f s ASP 259 Ca 0.43 0.58 0.31 0.00 0.43 0.00 0.00 52.55 54.30 3i2f s ASP 259 Cb 0.36 -2.16 1.39 0.00 -0.30 0.00 0.00 42.92 42.20 3i2f s ASP 259 CO 0.06 0.23 1.73 1.23 -0.17 0.00 0.00 175.17 178.25 3i2f h GLY 260 N 5.81 0.00 -0.89 2.66 0.00 -1.85 -0.63 103.07 108.17 3i2f h GLY 260 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3i2f h GLY 260 CO 0.68 0.00 -0.23 0.69 0.00 0.00 0.00 176.54 177.68 3i2f n PHE 261 N -3.75 0.00 -0.19 5.60 3.01 -1.26 -4.66 117.46 116.21 3i2f n PHE 261 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.64 3i2f n PHE 261 Cb 1.07 -0.03 0.09 0.00 -0.01 0.00 0.00 39.48 40.60 3i2f n PHE 261 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3i2f h VAL 262 N 2.75 0.50 -0.36 -4.37 3.04 -1.33 0.34 116.25 116.82 3i2f h VAL 262 Ca 0.00 -0.03 0.07 0.00 -1.01 0.00 0.00 66.70 65.73 3i2f h VAL 262 Cb 0.73 0.39 -0.07 0.00 -2.01 0.00 0.00 31.29 30.33 3i2f h VAL 262 CO 0.00 0.02 -0.06 1.23 -1.01 0.00 0.00 177.57 177.75 3i2f h GLY 263 N 0.09 0.29 1.94 3.17 0.00 -1.83 -1.87 103.07 104.87 3i2f h GLY 263 Ca 0.30 0.10 -0.19 0.00 0.00 0.00 0.00 47.33 47.54 3i2f h GLY 263 CO -0.52 -0.12 -0.91 0.83 0.00 0.00 0.00 176.54 175.82 3i2f h GLU 264 N 0.03 0.05 -0.02 4.80 4.39 -1.40 -2.52 114.58 119.92 3i2f h GLU 264 Ca 0.18 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 3i2f h GLU 264 Cb 0.26 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3i2f h GLU 264 CO -0.35 0.92 0.01 0.77 -1.16 0.00 0.00 179.01 179.20 3i2f h SER 265 N 0.02 0.02 -0.83 1.42 0.02 -0.16 -2.19 113.55 111.84 3i2f h SER 265 Ca -0.02 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 3i2f h SER 265 Cb 1.58 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 64.07 3i2f h SER 265 CO 0.12 0.12 0.55 -0.07 -1.14 0.00 0.00 176.83 176.41 3i2f h LEU 266 N -0.08 0.91 -1.17 5.07 3.38 -1.36 -1.82 115.31 120.25 3i2f h LEU 266 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3i2f h LEU 266 Cb 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3i2f h LEU 266 CO -0.00 0.64 -0.15 0.03 0.09 0.00 0.00 178.44 179.05 3i2f h ARG 267 N 1.07 0.00 -0.17 1.13 3.08 -1.26 -2.29 114.38 115.94 3i2f h ARG 267 Ca 0.32 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.16 3i2f h ARG 267 Cb -0.03 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.03 3i2f h ARG 267 CO -0.09 0.15 -0.74 1.79 -1.07 0.00 0.00 179.97 180.01 3i2f h THR 268 N 0.00 1.28 -0.55 2.04 1.35 -0.69 -2.53 112.91 113.81 3i2f h THR 268 Ca -0.00 -1.95 0.03 0.00 -0.55 0.00 0.00 66.41 63.94 3i2f h THR 268 Cb 0.69 1.94 -0.04 0.00 -1.73 0.00 0.00 68.15 69.01 3i2f h THR 268 CO 0.02 0.62 0.33 0.15 -0.25 0.00 0.00 175.52 176.39 3i2f h PHE 269 N 0.54 0.61 -0.29 4.73 3.57 -1.14 -2.17 116.94 122.80 3i2f h PHE 269 Ca -0.04 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3i2f h PHE 269 Cb 1.36 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 3i2f h PHE 269 CO 0.08 0.34 -0.17 0.28 -2.23 0.00 0.00 178.31 176.62 3i2f h VAL 270 N 0.65 1.24 0.00 1.41 2.07 -1.44 -1.85 116.25 118.33 3i2f h VAL 270 Ca 0.22 -1.11 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 3i2f h VAL 270 Cb 0.03 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3i2f h VAL 270 CO -0.10 0.36 -0.33 0.00 0.02 0.00 0.00 177.57 177.52 3i2f h ALA 271 N 1.36 0.90 0.00 1.67 0.00 -1.05 -3.33 119.26 118.81 3i2f h ALA 271 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i2f h ALA 271 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i2f h ALA 271 CO 0.04 0.41 -1.61 1.33 0.00 0.00 0.00 179.25 179.42 3i2f n VAL 272 N -3.34 0.00 0.28 0.00 0.24 -0.85 -4.32 118.33 110.33 3i2f n VAL 272 Ca 0.01 -0.33 0.12 0.00 -2.04 0.00 0.00 64.34 62.09 3i2f n VAL 272 Cb 0.55 0.23 0.77 0.00 -1.47 0.00 0.00 33.84 33.93 3i2f n VAL 272 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3i2f h LYS 273 N 0.00 0.00 0.00 7.34 2.10 -1.45 -2.03 116.57 122.53 3i2f h LYS 273 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 3i2f h LYS 273 Cb 0.67 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.98 3i2f h LYS 273 CO 0.00 0.02 -0.92 -0.44 -2.00 0.00 0.00 179.45 176.11 3i2f h ASP 274 N 0.00 0.00 0.82 7.07 3.32 -1.84 -3.37 116.42 122.42 3i2f h ASP 274 Ca -0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3i2f h ASP 274 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3i2f h ASP 274 CO 0.00 0.92 -1.22 0.59 -1.72 0.00 0.00 179.24 177.81 3i2f n ASN 275 N -3.42 0.78 -3.65 6.45 3.02 -0.79 -5.00 115.26 112.65 3i2f n ASN 275 Ca -0.00 0.32 -0.10 0.00 -0.03 0.00 0.00 54.58 54.77 3i2f n ASN 275 Cb 0.88 0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 40.50 3i2f n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i2f s ALA 276 N -3.23 -1.36 -0.47 5.41 0.00 -1.02 -4.69 121.76 116.41 3i2f s ALA 276 Ca -0.02 0.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.74 3i2f s ALA 276 Cb 0.10 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 3i2f s ALA 276 CO 0.81 -0.89 2.12 0.34 0.00 0.00 0.00 175.76 178.13 3i2f s ASP 277 N -2.84 5.04 -0.03 0.00 2.15 -1.26 -4.43 116.67 115.30 3i2f s ASP 277 Ca 0.06 0.97 -0.00 0.00 0.43 0.00 0.00 52.55 54.01 3i2f s ASP 277 Cb -0.03 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 3i2f s ASP 277 CO -0.03 -2.44 0.02 0.00 -0.17 0.00 0.00 175.17 172.55 3i2f s ALA 278 N 9.97 3.36 0.05 3.66 0.00 -1.26 -2.34 121.76 135.20 3i2f s ALA 278 Ca 0.85 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 52.00 3i2f s ALA 278 Cb -0.18 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 3i2f s ALA 278 CO 0.26 0.64 -0.16 1.03 0.00 0.00 0.00 175.76 177.52 3i2f s ARG 279 N -1.35 1.06 -0.02 0.00 1.81 -0.24 -4.90 118.95 115.30 3i2f s ARG 279 Ca 0.18 -0.87 0.03 0.00 -1.72 0.00 0.00 55.73 53.35 3i2f s ARG 279 Cb -0.12 -1.12 -0.00 0.00 -0.45 0.00 0.00 34.95 33.26 3i2f s ARG 279 CO 0.08 0.28 -0.10 -1.17 -0.68 0.00 0.00 175.30 173.71 3i2f s LEU 280 N -1.29 1.87 -0.06 2.53 2.96 -0.51 -0.57 118.68 123.61 3i2f s LEU 280 Ca 0.03 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 3i2f s LEU 280 Cb -0.09 -0.58 0.03 0.00 0.50 0.00 0.00 46.19 46.06 3i2f s LEU 280 CO 0.02 0.09 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.43 3i2f s VAL 281 N 0.04 0.45 -0.15 1.68 1.01 0.12 -0.11 120.40 123.44 3i2f s VAL 281 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 3i2f s VAL 281 Cb -0.07 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.80 3i2f s VAL 281 CO 0.00 0.24 -0.02 -0.69 0.00 0.00 0.00 175.10 174.63 3i2f s VAL 282 N 1.51 0.84 0.53 2.92 1.01 -0.32 -0.80 120.40 126.09 3i2f s VAL 282 Ca -0.02 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3i2f s VAL 282 Cb -0.13 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.22 3i2f s VAL 282 CO -0.03 0.10 0.53 -0.83 0.00 0.00 0.00 175.10 174.86 3i2f s GLY 283 N 1.75 2.12 -0.13 4.51 0.00 -1.03 -0.61 107.32 113.92 3i2f s GLY 283 Ca 0.01 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.08 3i2f s GLY 283 CO -0.07 -1.81 1.47 -1.55 0.00 0.00 0.00 173.10 171.14 3i2f n PRO 284 N -1.88 1.36 -3.52 2.90 -0.04 -1.26 -1.05 135.00 131.51 3i2f n PRO 284 Ca 0.05 -0.80 -0.30 0.00 -0.04 0.00 0.00 63.50 62.40 3i2f n PRO 284 Cb 0.63 -1.32 -0.04 0.00 -0.04 0.00 0.00 33.50 32.73 3i2f n PRO 284 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i2f s TRP 285 N -0.90 3.46 0.54 0.54 0.51 -1.26 -4.61 118.94 117.22 3i2f s TRP 285 Ca 0.15 0.64 0.09 0.00 -2.12 0.00 0.00 56.10 54.87 3i2f s TRP 285 Cb 0.13 -2.08 0.07 0.00 -0.81 0.00 0.00 33.47 30.77 3i2f s TRP 285 CO 0.02 0.32 0.74 -1.54 -0.51 0.00 0.00 176.95 175.97 3i2f s SER 286 N -2.67 5.23 0.34 2.95 1.04 -0.86 -1.68 113.70 118.05 3i2f s SER 286 Ca 0.43 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 56.15 3i2f s SER 286 Cb -0.11 0.07 0.61 0.00 0.10 0.00 0.00 66.02 66.68 3i2f s SER 286 CO 0.25 -1.20 1.93 -0.74 0.98 0.00 0.00 173.24 174.46 3i2f h HIS 287 N 0.30 0.66 -0.05 5.02 2.76 -1.78 -2.99 115.15 119.07 3i2f h HIS 287 Ca -0.32 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 3i2f h HIS 287 Cb 1.29 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.04 3i2f h HIS 287 CO 0.43 0.53 0.00 -1.13 -1.30 0.00 0.00 177.93 176.46 3i2f n SER 288 N -4.35 2.02 -3.75 3.26 3.41 -1.26 -4.87 113.62 108.08 3i2f n SER 288 Ca 0.03 -1.51 -0.30 0.00 -0.26 0.00 0.00 58.87 56.83 3i2f n SER 288 Cb 0.16 -0.02 -0.15 0.00 -0.26 0.00 0.00 64.21 63.95 3i2f n SER 288 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3i2f s ASN 289 N -0.93 4.04 -0.27 4.04 2.47 -1.13 -4.93 114.94 118.22 3i2f s ASN 289 Ca 0.14 -1.81 0.11 0.00 0.42 0.00 0.00 52.86 51.71 3i2f s ASN 289 Cb 0.10 -0.94 0.52 0.00 -1.45 0.00 0.00 41.25 39.47 3i2f s ASN 289 CO 0.14 -0.39 1.47 0.18 -3.72 0.00 0.00 177.10 174.78 3i2f n LEU 290 N 4.62 4.18 0.07 3.21 4.32 -1.26 -2.03 117.00 130.11 3i2f n LEU 290 Ca 0.00 -3.57 -0.01 0.00 -0.02 0.00 0.00 56.01 52.41 3i2f n LEU 290 Cb 0.41 -0.62 -0.06 0.00 -1.62 0.00 0.00 43.42 41.53 3i2f n LEU 290 CO 0.14 1.10 0.02 0.71 -1.22 0.00 0.00 177.39 178.13 3i2f h THR 291 N 1.18 0.83 0.00 -5.08 1.35 -1.93 -0.13 112.91 109.13 3i2f h THR 291 Ca 0.19 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 3i2f h THR 291 Cb 1.66 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.40 3i2f h THR 291 CO 0.38 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 3i2f n GLY 292 N 1.34 0.89 3.51 5.82 0.00 -1.26 -3.77 105.19 111.72 3i2f n GLY 292 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3i2f n GLY 292 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i2f s ARG 293 N -0.13 3.55 0.19 1.61 0.52 -1.26 -0.54 118.95 122.89 3i2f s ARG 293 Ca 0.00 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 3i2f s ARG 293 Cb 0.00 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 3i2f s ARG 293 CO 0.00 0.30 0.07 -0.80 0.02 0.00 0.00 175.30 174.89 3i2f s ASN 294 N 0.19 0.74 0.22 0.23 0.01 0.22 -4.97 114.94 111.57 3i2f s ASN 294 Ca -0.02 -1.29 -0.11 0.00 -0.71 0.00 0.00 52.86 50.72 3i2f s ASN 294 Cb -0.14 0.24 0.29 0.00 0.41 0.00 0.00 41.25 42.05 3i2f s ASN 294 CO 0.03 -0.72 1.64 0.00 -1.51 0.00 0.00 177.10 176.55 3i2f h ALA 295 N 2.63 0.55 0.00 0.60 0.00 -1.93 -2.99 119.26 118.13 3i2f h ALA 295 Ca -0.37 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i2f h ALA 295 Cb 1.23 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3i2f h ALA 295 CO 0.59 -0.41 -0.04 -0.25 0.00 0.00 0.00 179.25 179.14 3i2f n ASP 296 N -5.35 2.00 -3.66 0.00 8.00 -1.26 -4.99 116.55 111.29 3i2f n ASP 296 Ca 0.09 -2.65 -0.06 0.00 0.71 0.00 0.00 54.79 52.88 3i2f n ASP 296 Cb 0.36 -0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 41.10 3i2f n ASP 296 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i2f s ARG 297 N -2.07 0.47 -0.12 -1.24 6.06 -1.13 -4.94 118.95 115.98 3i2f s ARG 297 Ca 0.20 1.18 0.02 0.00 -2.50 0.00 0.00 55.73 54.63 3i2f s ARG 297 Cb 0.18 0.47 -0.01 0.00 0.06 0.00 0.00 34.95 35.65 3i2f s ARG 297 CO 0.02 -0.21 -0.19 0.15 -2.50 0.00 0.00 175.30 172.57 3i2f s LYS 298 N 2.46 3.21 0.00 5.12 3.01 -1.26 -0.61 119.74 131.68 3i2f s LYS 298 Ca -0.05 -0.78 0.24 0.00 -1.01 0.00 0.00 55.97 54.36 3i2f s LYS 298 Cb -0.11 -2.47 0.23 0.00 -1.01 0.00 0.00 37.83 34.47 3i2f s LYS 298 CO -0.16 0.19 1.25 1.19 0.51 0.00 0.00 175.35 178.33 3i2f n PHE 299 N 3.54 0.00 0.00 3.18 3.72 0.30 -5.03 117.46 123.17 3i2f n PHE 299 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3i2f n PHE 299 Cb 0.53 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3i2f n PHE 299 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i2f n GLY 300 N 1.37 0.32 0.35 1.37 0.00 -1.26 -4.35 105.19 102.98 3i2f n GLY 300 Ca 0.12 -1.70 0.17 0.00 0.00 0.00 0.00 46.02 44.61 3i2f n GLY 300 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i2f h ILE 301 N 0.00 0.78 0.00 -0.61 2.10 -1.94 -1.30 117.51 116.54 3i2f h ILE 301 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 3i2f h ILE 301 Cb 0.00 0.80 -0.00 0.00 -1.09 0.00 0.00 36.82 36.53 3i2f h ILE 301 CO 0.00 0.00 -0.15 0.00 -1.08 0.00 0.00 178.15 176.92 3i2f h ALA 302 N 1.80 1.22 0.00 0.18 0.00 -1.96 -2.41 119.26 118.09 3i2f h ALA 302 Ca 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i2f h ALA 302 Cb 0.74 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3i2f h ALA 302 CO -0.00 0.19 -0.01 0.00 0.00 0.00 0.00 179.25 179.42 3i2f h ALA 303 N 1.85 0.99 -2.52 0.00 0.00 -1.43 -3.46 119.26 114.70 3i2f h ALA 303 Ca -0.00 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 3i2f h ALA 303 Cb 0.43 -0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.29 3i2f h ALA 303 CO 0.02 0.02 0.85 2.41 0.00 0.00 0.00 179.25 182.55 3i2f n THR 304 N -3.10 0.39 -1.53 0.00 -1.04 -0.91 -4.49 114.28 103.60 3i2f n THR 304 Ca 0.03 -0.10 -0.59 0.00 -2.04 0.00 0.00 64.05 61.35 3i2f n THR 304 Cb 0.46 -1.77 -0.09 0.00 -1.82 0.00 0.00 70.33 67.11 3i2f n THR 304 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i2f n TYR 305 N 3.04 1.62 -2.94 -1.42 9.36 -0.06 -4.76 117.16 122.01 3i2f n TYR 305 Ca 0.14 0.69 -0.44 0.00 3.32 0.00 0.00 57.90 61.61 3i2f n TYR 305 Cb 0.33 -2.37 -0.01 0.00 -0.63 0.00 0.00 39.34 36.66 3i2f n TYR 305 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3i2f s PRO 306 N 4.72 3.95 0.25 2.98 0.04 -1.26 -4.83 135.00 140.85 3i2f s PRO 306 Ca 1.09 -2.34 -0.05 0.00 0.04 0.00 0.00 61.00 59.73 3i2f s PRO 306 Cb -1.26 -5.03 0.28 0.00 0.04 0.00 0.00 34.50 28.53 3i2f s PRO 306 CO 0.66 -1.77 1.91 0.97 0.04 0.00 0.00 177.00 178.81 3i2f h ILE 307 N 5.00 1.25 -0.25 0.56 2.10 -1.90 -0.78 117.51 123.50 3i2f h ILE 307 Ca 0.27 -0.51 -0.09 0.00 1.08 0.00 0.00 64.86 65.61 3i2f h ILE 307 Cb 0.92 -0.10 -0.01 0.00 -1.09 0.00 0.00 36.82 36.54 3i2f h ILE 307 CO 1.21 0.26 -0.19 -0.61 -1.08 0.00 0.00 178.15 177.74 3i2f h GLN 308 N 1.29 0.57 -0.60 2.19 5.75 -1.94 -1.70 115.11 120.67 3i2f h GLN 308 Ca 0.34 -0.28 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 3i2f h GLN 308 Cb -0.09 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 3i2f h GLN 308 CO -0.07 0.86 0.22 0.93 -2.65 0.00 0.00 178.83 178.12 3i2f h GLU 309 N 0.28 0.87 -0.87 1.69 5.08 -1.94 -1.10 114.58 118.59 3i2f h GLU 309 Ca 0.05 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3i2f h GLU 309 Cb 0.72 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 3i2f h GLU 309 CO 0.05 0.73 0.45 0.00 -1.00 0.00 0.00 179.01 179.24 3i2f h ALA 310 N 1.39 1.12 0.08 3.43 0.00 -1.05 -0.85 119.26 123.37 3i2f h ALA 310 Ca 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i2f h ALA 310 Cb 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i2f h ALA 310 CO -0.02 0.65 -0.04 1.15 0.00 0.00 0.00 179.25 181.00 3i2f h THR 311 N 1.23 0.97 -0.80 0.00 2.02 -0.75 0.53 112.91 116.11 3i2f h THR 311 Ca 0.30 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.40 3i2f h THR 311 Cb 0.06 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 3i2f h THR 311 CO -0.04 0.04 0.48 0.74 0.37 0.00 0.00 175.52 177.10 3i2f h THR 312 N -0.17 1.00 -0.22 3.16 2.02 -1.12 0.01 112.91 117.59 3i2f h THR 312 Ca -0.01 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 3i2f h THR 312 Cb 0.14 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3i2f h THR 312 CO 0.02 0.16 0.03 -0.03 0.37 0.00 0.00 175.52 176.06 3i2f h MET 313 N 0.86 0.37 -0.82 6.66 -1.53 -0.85 -0.82 114.93 118.80 3i2f h MET 313 Ca 0.36 -0.10 0.01 0.00 -3.44 0.00 0.00 59.70 56.52 3i2f h MET 313 Cb 0.20 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.17 3i2f h MET 313 CO -0.19 0.52 0.54 0.45 0.14 0.00 0.00 176.91 178.38 3i2f h HIS 314 N 0.16 1.02 -0.48 1.39 3.86 -0.65 -0.60 115.15 119.85 3i2f h HIS 314 Ca 0.07 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3i2f h HIS 314 Cb 0.34 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 3i2f h HIS 314 CO 0.02 0.64 0.14 -0.22 0.86 0.00 0.00 177.93 179.37 3i2f h LYS 315 N 1.10 0.76 -0.54 2.45 3.64 -0.79 0.12 116.57 123.31 3i2f h LYS 315 Ca 0.30 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3i2f h LYS 315 Cb -0.12 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 3i2f h LYS 315 CO -0.07 0.73 0.35 0.00 -2.27 0.00 0.00 179.45 178.18 3i2f h ALA 316 N 1.00 0.69 -0.05 5.00 0.00 -0.92 0.12 119.26 125.09 3i2f h ALA 316 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i2f h ALA 316 Cb 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i2f h ALA 316 CO -0.00 0.14 0.03 0.35 0.00 0.00 0.00 179.25 179.77 3i2f h PHE 317 N 0.73 0.06 -0.07 0.00 3.57 -0.71 -1.53 116.94 118.99 3i2f h PHE 317 Ca 0.20 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 3i2f h PHE 317 Cb -0.06 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3i2f h PHE 317 CO -0.03 0.04 -0.51 0.74 -2.23 0.00 0.00 178.31 176.32 3i2f h PHE 318 N 0.07 0.22 -0.62 0.41 0.04 -0.63 -2.24 116.94 114.19 3i2f h PHE 318 Ca 0.02 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 3i2f h PHE 318 Cb -0.01 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 3i2f h PHE 318 CO -0.08 0.66 0.12 -0.44 -0.60 0.00 0.00 178.31 177.97 3i2f h ASP 319 N 0.14 0.95 -0.07 2.17 3.32 -0.52 0.40 116.42 122.81 3i2f h ASP 319 Ca 0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3i2f h ASP 319 Cb 0.95 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 3i2f h ASP 319 CO 0.08 0.93 0.01 -0.09 -1.72 0.00 0.00 179.24 178.45 3i2f h ARG 320 N 0.94 0.12 0.00 3.56 9.65 -1.17 -1.88 114.38 125.62 3i2f h ARG 320 Ca 0.20 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 3i2f h ARG 320 Cb 0.38 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3i2f h ARG 320 CO 0.01 0.36 -1.65 0.72 2.80 0.00 0.00 179.97 182.21 3i2f n HIS 321 N -4.87 0.17 0.01 2.20 8.25 -0.85 -2.84 115.22 117.28 3i2f n HIS 321 Ca -0.07 0.05 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 3i2f n HIS 321 Cb 0.17 -0.51 -0.10 0.00 1.12 0.00 0.00 29.99 30.68 3i2f n HIS 321 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i2f n LEU 322 N -2.21 0.01 -0.20 2.41 4.32 0.14 -4.61 117.00 116.86 3i2f n LEU 322 Ca -0.02 -0.01 0.02 0.00 -0.02 0.00 0.00 56.01 55.98 3i2f n LEU 322 Cb 0.53 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.35 3i2f n LEU 322 CO 0.44 0.00 0.35 0.54 -1.22 0.00 0.00 177.39 177.50 3i2f n ARG 323 N -1.92 -0.05 -2.01 3.23 1.74 -1.11 -4.82 116.66 111.72 3i2f n ARG 323 Ca -0.02 -0.87 -0.20 0.00 -0.77 0.00 0.00 57.85 55.98 3i2f n ARG 323 Cb 0.32 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 3i2f n ARG 323 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i2f n GLY 324 N 0.25 0.69 3.50 -0.13 0.00 -1.13 -4.91 105.19 103.46 3i2f n GLY 324 Ca 0.03 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3i2f n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2f s GLU 325 N -4.40 3.73 0.63 1.61 2.02 -0.72 -4.88 118.70 116.69 3i2f s GLU 325 Ca 0.00 -1.73 0.37 0.00 0.02 0.00 0.00 54.97 53.63 3i2f s GLU 325 Cb 0.00 -5.16 2.09 0.00 0.10 0.00 0.00 34.13 31.16 3i2f s GLU 325 CO 0.00 -1.97 2.28 1.79 0.02 0.00 0.00 175.26 177.37 3i2f h THR 326 N 5.90 0.23 -0.44 3.63 1.35 -1.87 -0.54 112.91 121.18 3i2f h THR 326 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 3i2f h THR 326 Cb 0.97 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3i2f h THR 326 CO 1.28 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 177.02 3i2f n ASP 327 N -3.41 3.44 0.18 5.36 8.00 -1.26 -4.63 116.55 124.24 3i2f n ASP 327 Ca -0.02 -1.98 0.14 0.00 0.71 0.00 0.00 54.79 53.64 3i2f n ASP 327 Cb 0.12 -0.28 0.73 0.00 -0.02 0.00 0.00 41.12 41.67 3i2f n ASP 327 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i2f h ALA 328 N 4.46 2.03 -0.48 2.24 0.00 -1.40 -2.26 119.26 123.85 3i2f h ALA 328 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i2f h ALA 328 Cb 0.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3i2f h ALA 328 CO 0.00 -0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.28 3i2f n LEU 329 N -4.24 4.67 -4.76 0.00 4.77 -1.26 -4.82 117.00 111.36 3i2f n LEU 329 Ca 0.01 -2.74 -0.39 0.00 -0.03 0.00 0.00 56.01 52.86 3i2f n LEU 329 Cb 0.28 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.81 3i2f n LEU 329 CO 0.32 0.71 0.99 0.00 -1.33 0.00 0.00 177.39 178.08 3i2f s ALA 330 N -2.37 3.12 0.00 -1.18 0.00 -0.85 -2.32 121.76 118.16 3i2f s ALA 330 Ca 0.47 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.74 3i2f s ALA 330 Cb 0.34 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3i2f s ALA 330 CO 0.16 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.26 3i2f n GLY 331 N 0.63 1.57 3.65 0.00 0.00 -1.26 -4.98 105.19 104.79 3i2f n GLY 331 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3i2f n GLY 331 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2f s VAL 332 N -2.32 5.05 0.73 1.61 1.01 -0.98 -5.06 120.40 120.43 3i2f s VAL 332 Ca 0.00 1.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 3i2f s VAL 332 Cb 0.00 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.52 3i2f s VAL 332 CO 0.00 0.11 1.11 -2.16 0.00 0.00 0.00 175.10 174.16 3i2f s PRO 333 N 1.99 2.42 0.13 2.72 0.04 -1.26 -4.95 135.00 136.09 3i2f s PRO 333 Ca 0.26 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 62.50 3i2f s PRO 333 Cb -0.16 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3i2f s PRO 333 CO 0.10 -1.54 1.52 -0.22 0.04 0.00 0.00 177.00 176.90 3i2f h LYS 334 N -0.58 0.80 -4.60 4.56 1.63 -1.88 -3.45 116.57 113.05 3i2f h LYS 334 Ca -0.45 -0.33 -0.46 0.00 -0.85 0.00 0.00 60.65 58.56 3i2f h LYS 334 Cb 1.24 -0.03 -0.32 0.00 -0.60 0.00 0.00 32.23 32.52 3i2f h LYS 334 CO 0.52 0.95 -0.80 0.08 -3.45 0.00 0.00 179.45 176.75 3i2f s VAL 335 N -4.71 0.90 -0.08 2.00 1.01 -1.15 -1.43 120.40 116.94 3i2f s VAL 335 Ca -0.12 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3i2f s VAL 335 Cb 0.10 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.69 3i2f s VAL 335 CO 0.83 0.28 -0.09 -0.60 0.00 0.00 0.00 175.10 175.53 3i2f s ARG 336 N 0.35 1.45 -0.02 2.72 3.52 0.84 -1.56 118.95 126.26 3i2f s ARG 336 Ca -0.07 -0.28 0.04 0.00 -0.13 0.00 0.00 55.73 55.30 3i2f s ARG 336 Cb -0.11 -1.38 -0.01 0.00 -1.56 0.00 0.00 34.95 31.89 3i2f s ARG 336 CO 0.01 -0.13 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.72 3i2f s LEU 337 N 1.19 1.98 -0.39 -0.88 1.43 -0.24 -1.18 118.68 120.60 3i2f s LEU 337 Ca -0.05 -0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 3i2f s LEU 337 Cb -0.14 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.29 3i2f s LEU 337 CO -0.02 0.17 0.82 0.12 0.23 0.00 0.00 176.35 177.67 3i2f s PHE 338 N -0.23 3.07 -0.36 0.29 5.36 0.22 -0.18 117.98 126.15 3i2f s PHE 338 Ca 0.03 0.50 -0.20 0.00 -0.96 0.00 0.00 56.93 56.30 3i2f s PHE 338 Cb -0.07 -3.54 0.00 0.00 -0.34 0.00 0.00 43.02 39.07 3i2f s PHE 338 CO 0.00 -0.83 0.64 0.08 -1.46 0.00 0.00 175.22 173.65 3i2f s VAL 339 N 3.26 4.88 0.74 3.12 1.01 0.31 -4.77 120.40 128.95 3i2f s VAL 339 Ca 0.33 0.56 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 3i2f s VAL 339 Cb -0.12 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.21 3i2f s VAL 339 CO 0.19 -0.33 1.09 -0.04 0.00 0.00 0.00 175.10 176.01 3i2f s MET 340 N 2.72 2.54 0.00 2.72 1.00 0.64 -1.34 119.30 127.58 3i2f s MET 340 Ca 0.24 0.61 0.00 0.00 0.00 0.00 0.00 55.69 56.54 3i2f s MET 340 Cb -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 34.83 32.71 3i2f s MET 340 CO 0.15 -1.29 0.00 0.41 0.00 0.00 0.00 175.02 174.29 3i2f n GLY 341 N -2.47 1.94 0.13 -0.03 0.00 -1.26 0.17 105.19 103.67 3i2f n GLY 341 Ca 0.07 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.74 3i2f n GLY 341 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i2f h ILE 342 N 0.00 0.00 -6.39 -0.61 3.07 -1.77 -3.48 117.51 108.33 3i2f h ILE 342 Ca 0.00 -0.38 -0.43 0.00 1.55 0.00 0.00 64.86 65.60 3i2f h ILE 342 Cb 0.00 1.24 0.04 0.00 -0.27 0.00 0.00 36.82 37.83 3i2f h ILE 342 CO 0.00 0.00 -0.89 0.47 -1.05 0.00 0.00 178.15 176.68 3i2f n ASP 343 N -2.33 -5.27 -3.86 2.16 8.00 -0.55 -5.01 116.55 109.69 3i2f n ASP 343 Ca 0.03 -0.96 -0.12 0.00 0.71 0.00 0.00 54.79 54.46 3i2f n ASP 343 Cb 0.33 -2.87 -0.13 0.00 -0.02 0.00 0.00 41.12 38.43 3i2f n ASP 343 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i2f s GLU 344 N -5.72 0.14 0.31 -1.24 2.02 -0.45 -4.95 118.70 108.81 3i2f s GLU 344 Ca 0.33 0.00 -0.29 0.00 0.02 0.00 0.00 54.97 55.03 3i2f s GLU 344 Cb -0.14 0.06 -0.10 0.00 0.10 0.00 0.00 34.13 34.05 3i2f s GLU 344 CO 0.88 -0.02 1.30 -1.58 0.02 0.00 0.00 175.26 175.86 3i2f s TRP 345 N -0.20 3.10 -0.05 1.61 0.52 -1.26 -0.53 118.94 122.13 3i2f s TRP 345 Ca -0.03 1.40 -0.05 0.00 0.02 0.00 0.00 56.10 57.45 3i2f s TRP 345 Cb -0.02 -3.65 0.02 0.00 -1.15 0.00 0.00 33.47 28.66 3i2f s TRP 345 CO 0.00 -1.81 0.14 0.50 0.02 0.00 0.00 176.95 175.80 3i2f s ARG 346 N -1.56 0.16 0.35 4.98 3.52 0.75 -4.92 118.95 122.24 3i2f s ARG 346 Ca 0.50 0.21 -0.20 0.00 -0.13 0.00 0.00 55.73 56.11 3i2f s ARG 346 Cb -0.39 0.06 -0.10 0.00 -1.56 0.00 0.00 34.95 32.96 3i2f s ARG 346 CO 0.50 -0.03 0.85 -0.51 -0.81 0.00 0.00 175.30 175.30 3i2f s ASP 347 N 0.17 6.96 0.09 -2.12 1.01 -1.26 -1.08 116.67 120.43 3i2f s ASP 347 Ca -0.01 1.55 -0.03 0.00 0.71 0.00 0.00 52.55 54.77 3i2f s ASP 347 Cb -0.02 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 3i2f s ASP 347 CO -0.00 -0.22 0.05 -1.61 0.21 0.00 0.00 175.17 173.59 3i2f s GLU 348 N -2.80 0.77 0.05 8.23 0.41 -0.60 -4.95 118.70 119.81 3i2f s GLU 348 Ca 0.55 -1.25 0.23 0.00 -0.41 0.00 0.00 54.97 54.09 3i2f s GLU 348 Cb -0.12 0.25 -0.00 0.00 -1.78 0.00 0.00 34.13 32.48 3i2f s GLU 348 CO 0.17 -0.20 0.97 0.25 -0.49 0.00 0.00 175.26 175.97 3i2f n THR 349 N 0.00 0.17 -3.64 3.63 -2.24 -1.26 -2.94 114.28 108.01 3i2f n THR 349 Ca -0.11 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 3i2f n THR 349 Cb 0.62 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 3i2f n THR 349 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i2f s ASP 350 N -4.02 -0.39 -0.06 3.42 -1.08 -1.26 -4.77 116.67 108.51 3i2f s ASP 350 Ca 0.03 -0.29 -0.00 0.00 -0.52 0.00 0.00 52.55 51.77 3i2f s ASP 350 Cb 0.14 0.63 0.03 0.00 -1.46 0.00 0.00 42.92 42.25 3i2f s ASP 350 CO 0.81 -1.09 -0.02 0.86 0.52 0.00 0.00 175.17 176.25 3i2f s TRP 351 N -3.73 0.69 0.68 -5.34 -0.11 -1.26 -3.57 118.94 106.30 3i2f s TRP 351 Ca 0.06 -0.19 -0.17 0.00 1.22 0.00 0.00 56.10 57.03 3i2f s TRP 351 Cb -0.03 -0.73 -0.02 0.00 -1.50 0.00 0.00 33.47 31.19 3i2f s TRP 351 CO -0.03 -0.26 0.86 -2.30 -4.62 0.00 0.00 176.95 170.60 3i2f n PRO 352 N 4.63 0.58 -1.73 5.86 -0.02 -1.26 -4.75 135.00 138.31 3i2f n PRO 352 Ca -0.16 0.25 -0.40 0.00 -2.02 0.00 0.00 63.50 61.17 3i2f n PRO 352 Cb 0.50 -2.10 0.02 0.00 -0.02 0.00 0.00 33.50 31.90 3i2f n PRO 352 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i2f n LEU 353 N -1.03 4.70 0.25 2.45 4.32 -1.23 -4.88 117.00 121.57 3i2f n LEU 353 Ca 0.13 1.10 0.12 0.00 -0.02 0.00 0.00 56.01 57.34 3i2f n LEU 353 Cb 0.49 -1.56 0.63 0.00 -1.62 0.00 0.00 43.42 41.36 3i2f n LEU 353 CO 0.49 -0.42 0.91 -0.65 -1.22 0.00 0.00 177.39 176.50 3i2f h PRO 354 N 2.09 0.00 -0.78 3.23 0.11 -1.98 -3.03 132.00 131.64 3i2f h PRO 354 Ca -0.50 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.12 3i2f h PRO 354 Cb 1.28 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.12 3i2f h PRO 354 CO 0.60 0.15 0.23 -0.25 -0.21 0.00 0.00 178.00 178.52 3i2f n ASP 355 N -3.44 5.03 -4.68 -2.05 8.00 -1.26 -5.00 116.55 113.15 3i2f n ASP 355 Ca -0.01 -3.75 -0.43 0.00 0.71 0.00 0.00 54.79 51.31 3i2f n ASP 355 Cb 0.32 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 40.67 3i2f n ASP 355 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i2f s THR 356 N -4.09 4.68 -0.55 -3.53 2.01 -1.15 -4.69 115.64 108.31 3i2f s THR 356 Ca 0.55 1.97 -0.15 0.00 0.31 0.00 0.00 61.69 64.38 3i2f s THR 356 Cb 0.46 -4.27 0.13 0.00 0.01 0.00 0.00 72.50 68.83 3i2f s THR 356 CO 0.02 -0.07 0.50 0.00 -0.69 0.00 0.00 174.62 174.39 3i2f s ALA 357 N 2.52 3.65 -0.66 7.40 0.00 -0.57 -4.94 121.76 129.16 3i2f s ALA 357 Ca 0.48 -2.60 -0.26 0.00 0.00 0.00 0.00 51.96 49.58 3i2f s ALA 357 Cb -0.18 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3i2f s ALA 357 CO 0.14 -2.02 1.80 0.71 0.00 0.00 0.00 175.76 176.39 3i2f s TYR 358 N 1.46 1.75 -0.22 0.00 2.02 -1.26 -1.87 117.35 119.24 3i2f s TYR 358 Ca 0.04 0.66 -0.05 0.00 -0.37 0.00 0.00 57.07 57.35 3i2f s TYR 358 Cb -0.28 -4.15 -0.02 0.00 -0.40 0.00 0.00 41.96 37.11 3i2f s TYR 358 CO 0.02 -2.23 0.01 0.99 -1.57 0.00 0.00 175.55 172.77 3i2f s THR 359 N 8.76 3.90 0.16 -0.71 2.01 0.04 -4.85 115.64 124.94 3i2f s THR 359 Ca 0.64 -0.32 -0.31 0.00 0.31 0.00 0.00 61.69 62.01 3i2f s THR 359 Cb -0.11 -2.79 -0.09 0.00 0.01 0.00 0.00 72.50 69.52 3i2f s THR 359 CO 0.18 0.40 1.45 -2.84 -0.69 0.00 0.00 174.62 173.11 3i2f s PRO 360 N 1.33 4.29 -0.22 4.92 0.02 -1.26 -1.25 135.00 142.83 3i2f s PRO 360 Ca 0.04 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.27 3i2f s PRO 360 Cb -0.15 -3.20 0.04 0.00 0.02 0.00 0.00 34.50 31.22 3i2f s PRO 360 CO 0.01 -0.47 -0.15 -0.06 -0.33 0.00 0.00 177.00 176.00 3i2f s PHE 361 N 0.89 3.02 0.17 6.54 0.40 0.03 -4.48 117.98 124.56 3i2f s PHE 361 Ca 0.65 -1.95 -0.16 0.00 -0.60 0.00 0.00 56.93 54.86 3i2f s PHE 361 Cb -0.40 -1.94 -0.07 0.00 0.51 0.00 0.00 43.02 41.12 3i2f s PHE 361 CO 0.33 -0.84 0.61 0.71 0.70 0.00 0.00 175.22 176.74 3i2f s TYR 362 N 1.21 3.63 0.16 0.36 2.02 0.12 -1.41 117.35 123.44 3i2f s TYR 362 Ca -0.02 1.19 -0.30 0.00 -0.37 0.00 0.00 57.07 57.57 3i2f s TYR 362 Cb -0.16 -2.47 -0.07 0.00 -0.40 0.00 0.00 41.96 38.86 3i2f s TYR 362 CO -0.09 0.40 0.95 -0.51 -1.57 0.00 0.00 175.55 174.73 3i2f s LEU 363 N -1.92 4.56 0.00 -1.29 1.43 -0.68 -1.75 118.68 119.03 3i2f s LEU 363 Ca 0.39 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 3i2f s LEU 363 Cb -0.16 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3i2f s LEU 363 CO 0.20 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3i2f n GLY 364 N 1.93 3.59 0.00 -3.19 0.00 -0.08 -4.52 105.19 102.92 3i2f n GLY 364 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3i2f n GLY 364 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2f n GLY 365 N 0.00 3.16 3.79 -0.02 0.00 -1.26 -1.16 105.19 109.70 3i2f n GLY 365 Ca 0.00 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 3i2f n GLY 365 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2f s SER 366 N 0.00 7.20 0.50 1.61 0.01 -1.24 -4.92 113.70 116.86 3i2f s SER 366 Ca 0.00 1.42 0.00 0.00 1.31 0.00 0.00 55.95 58.68 3i2f s SER 366 Cb 0.00 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.81 3i2f s SER 366 CO 0.00 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.49 3i2f n GLY 367 N 1.72 0.46 3.54 3.44 0.00 -1.26 -4.25 105.19 108.84 3i2f n GLY 367 Ca -0.08 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3i2f n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2f s ALA 368 N -2.00 2.86 -1.56 4.61 0.00 -1.26 -4.92 121.76 119.49 3i2f s ALA 368 Ca 0.00 -0.93 0.26 0.00 0.00 0.00 0.00 51.96 51.29 3i2f s ALA 368 Cb 0.00 -1.13 0.68 0.00 0.00 0.00 0.00 23.12 22.67 3i2f s ALA 368 CO 0.00 0.57 1.52 0.00 0.00 0.00 0.00 175.76 177.85 3i2f n ALA 369 N 2.24 3.21 -1.63 0.00 0.00 -1.26 -1.12 120.51 121.96 3i2f n ALA 369 Ca -0.18 -0.39 -0.46 0.00 0.00 0.00 0.00 53.44 52.41 3i2f n ALA 369 Cb 0.53 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 3i2f n ALA 369 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i2f n ASN 370 N -0.86 2.04 -0.66 0.00 4.13 -1.26 -1.41 115.26 117.24 3i2f n ASN 370 Ca 0.10 1.15 0.08 0.00 1.68 0.00 0.00 54.58 57.60 3i2f n ASN 370 Cb 0.35 -1.33 -0.03 0.00 -1.54 0.00 0.00 39.78 37.22 3i2f n ASN 370 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3i2f n THR 371 N 1.50 -0.03 0.71 3.41 -2.24 -0.03 -3.20 114.28 114.41 3i2f n THR 371 Ca 0.12 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.27 3i2f n THR 371 Cb 0.29 -0.46 0.46 0.00 -2.10 0.00 0.00 70.33 68.53 3i2f n THR 371 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i2f n SER 372 N -3.31 0.58 -1.26 3.42 3.41 -0.40 -2.95 113.62 113.12 3i2f n SER 372 Ca -0.02 0.56 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 3i2f n SER 372 Cb 0.31 -0.71 0.30 0.00 -0.26 0.00 0.00 64.21 63.84 3i2f n SER 372 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i2f n THR 373 N -2.05 1.95 -0.81 6.66 -2.24 -1.26 -4.94 114.28 111.59 3i2f n THR 373 Ca 0.06 -1.39 -0.02 0.00 -2.27 0.00 0.00 64.05 60.42 3i2f n THR 373 Cb 0.39 0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.67 3i2f n THR 373 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2f n GLY 374 N 0.48 -1.80 1.27 3.38 0.00 -1.15 -5.00 105.19 102.36 3i2f n GLY 374 Ca 0.22 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 44.72 3i2f n GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2f n GLY 375 N 3.16 3.92 3.73 -0.02 0.00 -0.27 -4.96 105.19 110.74 3i2f n GLY 375 Ca 0.01 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 3i2f n GLY 375 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i2f s GLY 376 N -1.68 2.17 0.24 -0.02 0.00 -1.23 -3.62 107.32 103.18 3i2f s GLY 376 Ca 0.47 1.15 0.10 0.00 0.00 0.00 0.00 44.72 46.45 3i2f s GLY 376 CO 0.10 2.25 -0.18 -0.51 0.00 0.00 0.00 173.10 174.76 3i2f s THR 377 N 0.61 2.21 -0.05 0.90 -4.23 -0.31 -2.08 115.64 112.68 3i2f s THR 377 Ca 0.61 -2.30 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 3i2f s THR 377 Cb -0.38 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 3i2f s THR 377 CO 0.35 -0.44 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.01 3i2f s LEU 378 N -3.35 2.01 -0.06 4.79 1.43 0.97 -0.91 118.68 123.57 3i2f s LEU 378 Ca 0.26 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.74 3i2f s LEU 378 Cb -0.04 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.99 3i2f s LEU 378 CO 0.12 0.21 0.38 -0.55 0.23 0.00 0.00 176.35 176.73 3i2f s SER 379 N -0.06 -0.31 0.09 2.29 0.15 -0.72 -4.18 113.70 110.97 3i2f s SER 379 Ca -0.04 0.36 0.19 0.00 0.70 0.00 0.00 55.95 57.15 3i2f s SER 379 Cb -0.13 0.48 0.78 0.00 -1.71 0.00 0.00 66.02 65.44 3i2f s SER 379 CO 0.03 -0.38 1.59 0.35 1.20 0.00 0.00 173.24 176.03 3i2f n THR 380 N 1.67 0.87 -3.76 6.45 -2.24 -1.26 0.12 114.28 116.13 3i2f n THR 380 Ca -0.19 0.21 -0.36 0.00 -2.27 0.00 0.00 64.05 61.44 3i2f n THR 380 Cb 0.56 -1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 3i2f n THR 380 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i2f s SER 381 N -3.47 6.51 0.36 3.42 0.01 -1.26 -4.84 113.70 114.43 3i2f s SER 381 Ca 0.07 0.60 -0.28 0.00 1.31 0.00 0.00 55.95 57.65 3i2f s SER 381 Cb 0.10 -2.11 -0.12 0.00 0.21 0.00 0.00 66.02 64.10 3i2f s SER 381 CO 0.34 0.33 1.38 -0.38 0.41 0.00 0.00 173.24 175.31 3i2f n ILE 382 N 1.61 2.02 -2.01 1.44 5.41 -1.26 -4.63 119.36 121.94 3i2f n ILE 382 Ca -0.15 -0.50 -0.40 0.00 1.00 0.00 0.00 62.75 62.69 3i2f n ILE 382 Cb 0.54 -1.75 -0.01 0.00 -0.71 0.00 0.00 39.64 37.71 3i2f n ILE 382 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i2f s SER 383 N -0.24 6.53 0.08 4.38 0.15 -1.26 -4.97 113.70 118.37 3i2f s SER 383 Ca 0.55 2.79 -0.22 0.00 0.70 0.00 0.00 55.95 59.76 3i2f s SER 383 Cb -0.53 -2.65 -0.12 0.00 -1.71 0.00 0.00 66.02 61.01 3i2f s SER 383 CO 0.63 -0.71 1.61 1.23 1.20 0.00 0.00 173.24 177.19 3i2f h GLY 384 N 3.09 0.19 -4.92 9.45 0.00 -1.94 -3.17 103.07 105.78 3i2f h GLY 384 Ca -0.50 -0.10 -0.61 0.00 0.00 0.00 0.00 47.33 46.12 3i2f h GLY 384 CO 0.64 0.10 -0.86 -0.51 0.00 0.00 0.00 176.54 175.91 3i2f s THR 385 N -5.53 1.67 -0.52 4.70 -4.23 -1.26 -4.52 115.64 105.94 3i2f s THR 385 Ca -0.14 -0.88 -0.26 0.00 -1.18 0.00 0.00 61.69 59.23 3i2f s THR 385 Cb 0.06 -1.40 -0.05 0.00 1.34 0.00 0.00 72.50 72.45 3i2f s THR 385 CO 0.69 0.47 2.22 -1.61 -0.54 0.00 0.00 174.62 175.85 3i2f s GLU 386 N -0.33 2.31 0.50 3.99 0.41 -1.26 -4.25 118.70 120.08 3i2f s GLU 386 Ca 0.04 1.17 0.01 0.00 -0.41 0.00 0.00 54.97 55.78 3i2f s GLU 386 Cb -0.10 -4.51 -0.01 0.00 -1.78 0.00 0.00 34.13 27.73 3i2f s GLU 386 CO 0.01 -3.05 0.02 0.45 -0.49 0.00 0.00 175.26 172.19 3i2f s SER 387 N 10.69 3.93 -0.19 -0.19 0.15 0.34 -5.00 113.70 123.43 3i2f s SER 387 Ca 0.88 -1.68 -0.14 0.00 0.70 0.00 0.00 55.95 55.71 3i2f s SER 387 Cb -0.16 0.58 0.05 0.00 -1.71 0.00 0.00 66.02 64.78 3i2f s SER 387 CO 0.25 -0.89 0.47 0.00 1.20 0.00 0.00 173.24 174.26 3i2f s ALA 388 N -2.94 -1.20 -0.09 5.45 0.00 -1.26 -1.61 121.76 120.11 3i2f s ALA 388 Ca 0.07 1.52 -0.04 0.00 0.00 0.00 0.00 51.96 53.50 3i2f s ALA 388 Cb 0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 3i2f s ALA 388 CO 0.04 -0.25 0.09 -0.51 0.00 0.00 0.00 175.76 175.12 3i2f s ASP 389 N 0.81 5.92 0.03 0.00 1.01 -0.34 -4.94 116.67 119.16 3i2f s ASP 389 Ca -0.05 0.32 0.04 0.00 0.71 0.00 0.00 52.55 53.57 3i2f s ASP 389 Cb -0.05 -1.82 -0.02 0.00 1.01 0.00 0.00 42.92 42.04 3i2f s ASP 389 CO -0.06 0.38 -0.12 -0.89 0.21 0.00 0.00 175.17 174.68 3i2f s THR 390 N -1.01 0.98 0.18 -1.27 2.01 -1.26 -0.12 115.64 115.14 3i2f s THR 390 Ca 0.16 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 3i2f s THR 390 Cb -0.12 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.53 3i2f s THR 390 CO 0.05 0.04 0.44 -0.72 -0.69 0.00 0.00 174.62 173.74 3i2f s TYR 391 N -0.72 0.04 -0.26 4.92 -0.85 -0.32 -4.95 117.35 115.21 3i2f s TYR 391 Ca 0.01 -0.39 -0.10 0.00 -0.52 0.00 0.00 57.07 56.07 3i2f s TYR 391 Cb -0.07 0.25 -0.05 0.00 0.38 0.00 0.00 41.96 42.47 3i2f s TYR 391 CO 0.01 -0.84 0.17 -1.17 -1.52 0.00 0.00 175.55 172.19 3i2f s LEU 392 N -2.90 4.03 -0.28 -3.49 2.96 -1.26 -0.09 118.68 117.65 3i2f s LEU 392 Ca 0.11 0.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.96 3i2f s LEU 392 Cb 0.00 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3i2f s LEU 392 CO -0.02 0.01 0.16 -0.47 -1.32 0.00 0.00 176.35 174.71 3i2f s TYR 393 N 1.36 3.19 -0.30 5.38 5.04 0.89 -4.72 117.35 128.19 3i2f s TYR 393 Ca 0.07 -0.08 -0.00 0.00 -2.44 0.00 0.00 57.07 54.62 3i2f s TYR 393 Cb -0.15 -2.35 0.06 0.00 0.35 0.00 0.00 41.96 39.87 3i2f s TYR 393 CO 0.07 -0.25 -0.02 0.34 -1.34 0.00 0.00 175.55 174.36 3i2f s ASP 394 N 1.71 4.78 0.49 4.32 2.15 -1.26 -0.91 116.67 127.94 3i2f s ASP 394 Ca 0.07 -1.42 0.32 0.00 0.43 0.00 0.00 52.55 51.94 3i2f s ASP 394 Cb -0.16 -1.67 1.42 0.00 -0.30 0.00 0.00 42.92 42.21 3i2f s ASP 394 CO 0.09 -0.27 1.75 -0.65 -0.17 0.00 0.00 175.17 175.93 3i2f h PRO 395 N 7.91 0.12 0.00 4.34 0.11 -1.84 0.90 132.00 143.53 3i2f h PRO 395 Ca -0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3i2f h PRO 395 Cb 1.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3i2f h PRO 395 CO 0.52 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 3i2f h ALA 396 N 1.46 1.00 -2.29 -0.75 0.00 -1.94 -3.33 119.26 113.42 3i2f h ALA 396 Ca 0.63 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.96 3i2f h ALA 396 Cb 2.20 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 19.60 3i2f h ALA 396 CO -0.14 0.00 -0.97 -3.47 0.00 0.00 0.00 179.25 174.67 3i2f n ASP 397 N -2.54 0.27 -4.87 0.00 2.03 0.31 -5.13 116.55 106.62 3i2f n ASP 397 Ca 0.01 -2.61 -0.31 0.00 0.52 0.00 0.00 54.79 52.40 3i2f n ASP 397 Cb 0.25 -0.61 0.01 0.00 -0.72 0.00 0.00 41.12 40.05 3i2f n ASP 397 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3i2f s PRO 398 N -0.64 3.63 -0.04 -0.67 0.04 -1.22 -4.49 135.00 131.61 3i2f s PRO 398 Ca 0.33 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 3i2f s PRO 398 Cb 0.08 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 3i2f s PRO 398 CO -0.16 -0.51 1.60 0.08 0.04 0.00 0.00 177.00 178.05 3i2f s VAL 399 N -3.09 3.57 0.50 -0.36 1.01 -1.26 -4.88 120.40 115.90 3i2f s VAL 399 Ca 0.55 0.78 -0.22 0.00 0.00 0.00 0.00 61.98 63.09 3i2f s VAL 399 Cb -0.11 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 3i2f s VAL 399 CO 0.51 -0.05 1.22 -2.16 0.00 0.00 0.00 175.10 174.62 3i2f s PRO 400 N 3.64 3.47 0.17 2.72 0.04 -1.26 -0.85 135.00 142.93 3i2f s PRO 400 Ca 0.71 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 63.34 3i2f s PRO 400 Cb -0.33 -2.28 -0.07 0.00 0.04 0.00 0.00 34.50 31.86 3i2f s PRO 400 CO 0.29 -0.82 1.13 -1.12 0.04 0.00 0.00 177.00 176.51 3i2f s SER 401 N -1.32 7.21 -0.23 6.66 0.01 0.92 -4.64 113.70 122.32 3i2f s SER 401 Ca 0.68 2.11 -0.03 0.00 1.31 0.00 0.00 55.95 60.02 3i2f s SER 401 Cb -0.31 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.39 3i2f s SER 401 CO 0.37 -0.27 0.08 -0.76 0.41 0.00 0.00 173.24 173.07 3i2f s LEU 402 N -0.21 0.93 0.00 2.44 1.43 -1.26 -4.89 118.68 117.12 3i2f s LEU 402 Ca 0.51 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3i2f s LEU 402 Cb -0.30 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.45 3i2f s LEU 402 CO 0.35 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3i2f n GLY 403 N 5.14 2.05 7.00 -3.19 0.00 -1.25 -4.58 105.19 110.35 3i2f n GLY 403 Ca -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3i2f n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2f n GLY 404 N 0.00 2.06 2.04 -0.02 0.00 0.24 -3.61 105.19 105.89 3i2f n GLY 404 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 3i2f n GLY 404 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i2f n THR 405 N 0.00 3.08 -1.60 2.61 -2.24 -1.26 -4.45 114.28 110.42 3i2f n THR 405 Ca 0.00 -2.02 -0.45 0.00 -2.27 0.00 0.00 64.05 59.31 3i2f n THR 405 Cb 0.00 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 67.78 3i2f n THR 405 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i2f n LEU 406 N -1.05 1.95 -0.10 3.22 4.77 -1.24 -3.80 117.00 120.74 3i2f n LEU 406 Ca 0.54 1.18 -0.20 0.00 -0.03 0.00 0.00 56.01 57.50 3i2f n LEU 406 Cb 1.55 -1.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 3i2f n LEU 406 CO 0.53 -1.28 -1.08 0.18 -1.33 0.00 0.00 177.39 174.40 3i2f n LEU 407 N 1.33 1.75 -0.03 2.23 4.77 -1.26 -4.52 117.00 121.26 3i2f n LEU 407 Ca 0.10 0.30 -0.03 0.00 -0.03 0.00 0.00 56.01 56.34 3i2f n LEU 407 Cb 0.31 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 3i2f n LEU 407 CO 0.60 0.22 -0.68 0.49 -1.33 0.00 0.00 177.39 176.70 3i2f n PHE 408 N -4.17 0.00 -2.65 -1.77 3.72 -1.26 -4.33 117.46 106.99 3i2f n PHE 408 Ca -0.36 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.61 3i2f n PHE 408 Cb 0.71 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.99 3i2f n PHE 408 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3i2f s HIS 409 N -2.12 2.81 -1.39 1.38 2.46 -1.26 -4.14 115.29 113.03 3i2f s HIS 409 Ca -0.06 0.58 -0.15 0.00 0.47 0.00 0.00 55.06 55.91 3i2f s HIS 409 Cb 0.02 -4.34 0.02 0.00 -0.13 0.00 0.00 32.58 28.15 3i2f s HIS 409 CO 0.16 -1.28 0.33 0.09 -2.47 0.00 0.00 174.74 171.57 3i2f n ASN 410 N 7.76 -1.37 -0.54 9.88 3.02 -1.26 -4.84 115.26 127.91 3i2f n ASN 410 Ca 0.10 -1.26 0.04 0.00 -0.03 0.00 0.00 54.58 53.44 3i2f n ASN 410 Cb 0.49 -1.81 0.12 0.00 -0.61 0.00 0.00 39.78 37.97 3i2f n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i2f n GLY 411 N -2.31 0.41 1.15 7.41 0.00 -1.26 -4.02 105.19 106.56 3i2f n GLY 411 Ca -0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 3i2f n GLY 411 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i2f n ASP 412 N 0.30 3.08 -2.81 1.61 5.75 -1.26 -4.28 116.55 118.94 3i2f n ASP 412 Ca 0.09 -3.49 -0.11 0.00 -0.01 0.00 0.00 54.79 51.28 3i2f n ASP 412 Cb 0.26 -0.62 0.05 0.00 -1.03 0.00 0.00 41.12 39.78 3i2f n ASP 412 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3i2f n ASN 413 N -0.91 -0.42 0.03 -1.12 5.15 -1.26 -4.74 115.26 112.00 3i2f n ASN 413 Ca 0.31 -2.93 -0.15 0.00 -0.60 0.00 0.00 54.58 51.21 3i2f n ASN 413 Cb 1.03 0.40 -0.10 0.00 -0.53 0.00 0.00 39.78 40.59 3i2f n ASN 413 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3i2f h GLY 414 N 2.73 -1.09 -5.43 8.20 0.00 -1.83 -2.89 103.07 102.76 3i2f h GLY 414 Ca -0.10 0.66 -0.56 0.00 0.00 0.00 0.00 47.33 47.33 3i2f h GLY 414 CO 0.27 -0.22 3.15 -1.55 0.00 0.00 0.00 176.54 178.18 3i2f n PRO 415 N -5.45 2.77 -2.56 4.80 -0.04 -1.26 -0.59 135.00 132.66 3i2f n PRO 415 Ca -0.07 -1.92 -0.40 0.00 -0.04 0.00 0.00 63.50 61.07 3i2f n PRO 415 Cb 0.39 -2.73 -0.05 0.00 -0.04 0.00 0.00 33.50 31.07 3i2f n PRO 415 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i2f s ALA 416 N 3.05 3.38 0.08 0.55 0.00 -1.09 -4.59 121.76 123.14 3i2f s ALA 416 Ca 0.54 0.81 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 3i2f s ALA 416 Cb 0.14 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 3i2f s ALA 416 CO -0.04 -0.06 1.54 0.34 0.00 0.00 0.00 175.76 177.55 3i2f s ASP 417 N -0.89 6.69 0.00 0.00 2.15 -1.26 -1.70 116.67 121.66 3i2f s ASP 417 Ca 0.44 2.41 0.27 0.00 0.43 0.00 0.00 52.55 56.10 3i2f s ASP 417 Cb -0.30 -2.57 0.93 0.00 -0.30 0.00 0.00 42.92 40.68 3i2f s ASP 417 CO 0.38 -0.80 1.68 0.00 -0.17 0.00 0.00 175.17 176.25 3i2f n GLN 418 N 4.97 1.64 -0.32 4.34 1.13 0.12 -4.45 117.38 124.81 3i2f n GLN 418 Ca 0.14 -1.01 0.09 0.00 -1.94 0.00 0.00 57.00 54.29 3i2f n GLN 418 Cb 0.41 -1.48 0.30 0.00 0.11 0.00 0.00 30.24 29.58 3i2f n GLN 418 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i2f h ARG 419 N 2.45 0.83 0.00 -1.09 3.08 -1.92 -2.10 114.38 115.64 3i2f h ARG 419 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i2f h ARG 419 Cb 0.55 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3i2f h ARG 419 CO 0.00 0.55 0.26 -1.35 -1.07 0.00 0.00 179.97 178.36 3i2f h PRO 420 N 0.86 0.00 -0.01 0.04 0.11 -1.99 -2.31 132.00 128.70 3i2f h PRO 420 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3i2f h PRO 420 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3i2f h PRO 420 CO -0.25 0.00 -0.07 0.44 -0.21 0.00 0.00 178.00 177.91 3i2f n ILE 421 N -2.51 0.00 0.34 4.15 -5.35 -0.79 -4.71 119.36 110.49 3i2f n ILE 421 Ca -0.02 -0.46 0.04 0.00 -0.27 0.00 0.00 62.75 62.04 3i2f n ILE 421 Cb 0.29 1.15 0.19 0.00 -1.74 0.00 0.00 39.64 39.53 3i2f n ILE 421 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3i2f n HIS 422 N 0.18 0.00 0.04 4.28 8.25 -0.87 -1.56 115.22 125.55 3i2f n HIS 422 Ca 0.05 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.57 3i2f n HIS 422 Cb 0.21 -0.33 -0.08 0.00 1.12 0.00 0.00 29.99 30.90 3i2f n HIS 422 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3i2f n ASP 423 N -1.33 0.54 -4.68 0.41 5.75 -1.26 -1.27 116.55 114.71 3i2f n ASP 423 Ca 0.03 0.22 -0.42 0.00 -0.01 0.00 0.00 54.79 54.61 3i2f n ASP 423 Cb 0.07 0.86 -0.03 0.00 -1.03 0.00 0.00 41.12 40.99 3i2f n ASP 423 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i2f s ARG 424 N -3.23 4.17 0.59 0.11 0.52 -0.60 -4.80 118.95 115.71 3i2f s ARG 424 Ca -0.04 2.44 0.31 0.00 -0.52 0.00 0.00 55.73 57.92 3i2f s ARG 424 Cb 0.10 -3.81 1.68 0.00 0.52 0.00 0.00 34.95 33.45 3i2f s ARG 424 CO 0.83 -0.84 1.93 0.22 0.02 0.00 0.00 175.30 177.47 3i2f h ASP 425 N 9.18 0.00 -0.58 0.23 3.58 -1.91 -0.44 116.42 126.48 3i2f h ASP 425 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 3i2f h ASP 425 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 3i2f h ASP 425 CO 0.94 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 176.40 3i2f n ASP 426 N -2.77 3.10 -4.23 2.28 5.75 -1.26 -4.61 116.55 114.81 3i2f n ASP 426 Ca -0.02 -2.01 -0.39 0.00 -0.01 0.00 0.00 54.79 52.37 3i2f n ASP 426 Cb 0.26 -0.39 -0.11 0.00 -1.03 0.00 0.00 41.12 39.85 3i2f n ASP 426 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i2f s VAL 427 N -1.24 3.85 -0.03 2.12 1.01 -0.17 -4.42 120.40 121.52 3i2f s VAL 427 Ca 0.39 -1.52 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 3i2f s VAL 427 Cb 0.20 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3i2f s VAL 427 CO 0.26 -0.47 0.69 -0.76 0.00 0.00 0.00 175.10 174.82 3i2f s LEU 428 N 1.34 4.37 -0.08 3.92 1.43 -0.05 -0.85 118.68 128.76 3i2f s LEU 428 Ca 0.03 1.25 0.04 0.00 -1.03 0.00 0.00 54.13 54.41 3i2f s LEU 428 Cb -0.22 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 3i2f s LEU 428 CO 0.00 -0.04 -0.20 0.00 0.23 0.00 0.00 176.35 176.35 3i2f s TYR 430 N -0.05 0.77 0.15 0.00 1.51 -0.74 -3.52 117.35 115.47 3i2f s TYR 430 Ca -0.05 -0.24 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 3i2f s TYR 430 Cb -0.14 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.86 3i2f s TYR 430 CO 0.05 -0.31 -0.17 -1.12 -1.11 0.00 0.00 175.55 172.89 3i2f s SER 431 N 1.62 2.46 0.69 2.29 0.01 -0.88 -0.74 113.70 119.15 3i2f s SER 431 Ca 0.00 -0.83 -0.08 0.00 1.31 0.00 0.00 55.95 56.35 3i2f s SER 431 Cb -0.13 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.01 3i2f s SER 431 CO -0.04 -0.06 1.03 0.42 0.41 0.00 0.00 173.24 175.00 3i2f s THR 432 N -1.98 2.88 1.07 1.44 -4.23 0.14 -0.02 115.64 114.94 3i2f s THR 432 Ca 0.13 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 3i2f s THR 432 Cb -0.06 -3.23 0.22 0.00 1.34 0.00 0.00 72.50 70.77 3i2f s THR 432 CO 0.05 -0.27 0.96 -0.62 -0.54 0.00 0.00 174.62 174.20 3i2f n GLU 433 N -2.91 -1.62 -1.92 3.99 1.02 -1.26 -4.69 120.64 113.24 3i2f n GLU 433 Ca 0.07 -0.43 -0.42 0.00 -0.02 0.00 0.00 57.16 56.36 3i2f n GLU 433 Cb 0.59 -2.19 -0.03 0.00 -0.02 0.00 0.00 31.44 29.79 3i2f n GLU 433 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i2f s VAL 434 N -2.47 2.56 0.24 2.62 1.01 -1.26 -4.67 120.40 118.43 3i2f s VAL 434 Ca 0.67 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 3i2f s VAL 434 Cb -0.24 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 3i2f s VAL 434 CO 0.63 0.04 0.99 -0.76 0.00 0.00 0.00 175.10 176.00 3i2f s LEU 435 N 0.90 4.61 -0.01 3.92 1.43 -0.47 -4.87 118.68 124.18 3i2f s LEU 435 Ca 0.69 2.04 0.16 0.00 -1.03 0.00 0.00 54.13 55.99 3i2f s LEU 435 Cb -0.44 -3.61 -0.21 0.00 0.03 0.00 0.00 46.19 41.96 3i2f s LEU 435 CO 0.33 0.04 0.54 0.35 0.23 0.00 0.00 176.35 177.85 3i2f n THR 436 N 1.51 0.00 -4.41 5.49 -2.24 -1.26 -0.64 114.28 112.73 3i2f n THR 436 Ca -0.01 -0.23 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 3i2f n THR 436 Cb 0.46 0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 69.21 3i2f n THR 436 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3i2f s ASP 437 N -3.06 1.97 0.59 3.42 1.01 -1.26 -4.78 116.67 114.57 3i2f s ASP 437 Ca 0.01 -0.51 -0.19 0.00 0.71 0.00 0.00 52.55 52.56 3i2f s ASP 437 Cb 0.11 -0.13 -0.03 0.00 1.01 0.00 0.00 42.92 43.88 3i2f s ASP 437 CO 0.66 0.06 1.26 -2.16 0.21 0.00 0.00 175.17 175.20 3i2f s PRO 438 N -1.28 2.95 -0.23 8.23 0.04 -1.26 -4.57 135.00 138.88 3i2f s PRO 438 Ca 0.03 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 63.03 3i2f s PRO 438 Cb -0.08 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.51 3i2f s PRO 438 CO 0.02 -1.26 -0.01 0.08 0.04 0.00 0.00 177.00 175.87 3i2f s VAL 439 N -1.48 1.16 -0.21 -0.36 1.01 -0.70 -4.99 120.40 114.83 3i2f s VAL 439 Ca 0.77 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 3i2f s VAL 439 Cb -0.34 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3i2f s VAL 439 CO 0.38 -0.18 0.80 -0.70 0.00 0.00 0.00 175.10 175.39 3i2f s GLU 440 N 1.56 4.23 -0.37 2.72 2.12 -1.25 -1.22 118.70 126.49 3i2f s GLU 440 Ca -0.03 0.92 -0.02 0.00 0.36 0.00 0.00 54.97 56.20 3i2f s GLU 440 Cb -0.18 -3.61 0.09 0.00 0.26 0.00 0.00 34.13 30.69 3i2f s GLU 440 CO -0.08 -0.40 0.14 0.08 -0.54 0.00 0.00 175.26 174.46 3i2f s VAL 441 N 2.44 3.19 -0.19 3.70 1.01 0.25 -0.38 120.40 130.42 3i2f s VAL 441 Ca 0.35 -1.85 -0.04 0.00 0.00 0.00 0.00 61.98 60.44 3i2f s VAL 441 Cb -0.16 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.20 3i2f s VAL 441 CO 0.10 -0.51 0.07 -0.89 0.00 0.00 0.00 175.10 173.86 3i2f s THR 442 N 1.17 0.23 -5.00 3.92 2.01 -0.53 -0.70 115.64 116.73 3i2f s THR 442 Ca 0.05 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.64 3i2f s THR 442 Cb -0.22 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.46 3i2f s THR 442 CO -0.03 -0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.24 3i2f n GLY 443 N 5.16 -0.33 3.80 4.40 0.00 -0.60 -4.71 105.19 112.90 3i2f n GLY 443 Ca -0.08 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 3i2f n GLY 443 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i2f s THR 444 N -2.78 3.81 -0.01 2.61 -4.23 -1.26 -2.04 115.64 111.75 3i2f s THR 444 Ca 0.00 1.15 0.04 0.00 -1.18 0.00 0.00 61.69 61.69 3i2f s THR 444 Cb 0.00 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.36 3i2f s THR 444 CO 0.00 -0.23 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.05 3i2f s VAL 445 N -1.97 0.91 0.13 2.29 1.01 0.07 -4.27 120.40 118.57 3i2f s VAL 445 Ca 0.66 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 3i2f s VAL 445 Cb -0.16 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.46 3i2f s VAL 445 CO 0.20 0.24 0.29 -0.94 0.00 0.00 0.00 175.10 174.89 3i2f s SER 446 N -0.32 -0.01 0.05 3.32 1.04 -1.19 -1.02 113.70 115.57 3i2f s SER 446 Ca 0.04 -0.65 0.08 0.00 0.48 0.00 0.00 55.95 55.90 3i2f s SER 446 Cb -0.05 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 3i2f s SER 446 CO -0.00 -0.84 -0.22 0.00 0.98 0.00 0.00 173.24 173.16 3i2f s ALA 447 N -3.89 1.88 -0.26 5.32 0.00 0.33 -0.00 121.76 125.14 3i2f s ALA 447 Ca 0.09 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 3i2f s ALA 447 Cb 0.03 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.83 3i2f s ALA 447 CO -0.07 0.42 -0.06 1.03 0.00 0.00 0.00 175.76 177.09 3i2f s ARG 448 N -1.28 2.62 -0.05 0.00 1.81 0.93 -0.32 118.95 122.67 3i2f s ARG 448 Ca 0.08 -1.12 0.05 0.00 -1.72 0.00 0.00 55.73 53.03 3i2f s ARG 448 Cb -0.09 -3.01 -0.02 0.00 -0.45 0.00 0.00 34.95 31.38 3i2f s ARG 448 CO 0.02 -0.49 -0.21 -0.51 -0.68 0.00 0.00 175.30 173.44 3i2f s LEU 449 N 1.26 2.35 -0.32 2.53 1.43 -0.42 -0.63 118.68 124.88 3i2f s LEU 449 Ca -0.03 -0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 52.53 3i2f s LEU 449 Cb -0.18 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 3i2f s LEU 449 CO -0.04 0.31 0.51 -0.36 0.23 0.00 0.00 176.35 177.00 3i2f s PHE 450 N -0.51 3.20 0.11 0.29 0.40 -1.26 -0.79 117.98 119.43 3i2f s PHE 450 Ca 0.07 0.33 0.04 0.00 -0.60 0.00 0.00 56.93 56.76 3i2f s PHE 450 Cb -0.11 -2.86 -0.04 0.00 0.51 0.00 0.00 43.02 40.52 3i2f s PHE 450 CO 0.01 -0.46 -0.10 0.14 0.70 0.00 0.00 175.22 175.51 3i2f s VAL 451 N 2.37 1.01 0.08 -0.44 -7.23 0.43 -0.20 120.40 116.41 3i2f s VAL 451 Ca 0.19 -1.80 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 3i2f s VAL 451 Cb -0.15 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.24 3i2f s VAL 451 CO 0.12 -0.63 0.18 -0.94 -0.31 0.00 0.00 175.10 173.52 3i2f s SER 452 N -2.71 0.11 0.04 4.85 1.04 -0.79 0.13 113.70 116.36 3i2f s SER 452 Ca 0.10 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3i2f s SER 452 Cb -0.01 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 3i2f s SER 452 CO -0.00 -0.69 -0.04 -0.55 0.98 0.00 0.00 173.24 172.94 3i2f s SER 453 N -2.70 0.42 0.13 7.02 0.15 -1.26 -1.20 113.70 116.26 3i2f s SER 453 Ca 0.03 -0.68 0.27 0.00 0.70 0.00 0.00 55.95 56.26 3i2f s SER 453 Cb 0.04 0.12 0.97 0.00 -1.71 0.00 0.00 66.02 65.44 3i2f s SER 453 CO -0.09 -0.39 1.82 -1.54 1.20 0.00 0.00 173.24 174.23 3i2f n SER 454 N 1.06 0.47 -4.92 5.45 3.41 -0.54 -0.26 113.62 118.29 3i2f n SER 454 Ca -0.20 0.55 -0.19 0.00 -0.26 0.00 0.00 58.87 58.76 3i2f n SER 454 Cb 0.57 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 3i2f n SER 454 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i2f s ALA 455 N -3.07 4.20 -1.39 7.33 0.00 -1.26 -4.74 121.76 122.82 3i2f s ALA 455 Ca 0.11 -1.76 0.26 0.00 0.00 0.00 0.00 51.96 50.57 3i2f s ALA 455 Cb 0.14 -1.27 0.66 0.00 0.00 0.00 0.00 23.12 22.65 3i2f s ALA 455 CO 0.54 -0.20 1.51 1.33 0.00 0.00 0.00 175.76 178.94 3i2f n VAL 456 N -1.63 0.00 -3.62 0.00 0.24 -1.26 -4.13 118.33 107.93 3i2f n VAL 456 Ca 0.04 -0.06 -0.14 0.00 -2.04 0.00 0.00 64.34 62.14 3i2f n VAL 456 Cb 0.60 0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 33.22 3i2f n VAL 456 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i2f s ASP 457 N -2.74 -0.39 0.12 -1.34 2.15 -1.26 -1.78 116.67 111.43 3i2f s ASP 457 Ca 0.18 0.18 -0.25 0.00 0.43 0.00 0.00 52.55 53.09 3i2f s ASP 457 Cb 0.18 0.45 0.08 0.00 -0.30 0.00 0.00 42.92 43.34 3i2f s ASP 457 CO 0.60 -0.65 1.08 0.28 -0.17 0.00 0.00 175.17 176.31 3i2f s THR 458 N -2.14 0.00 0.19 1.71 -1.32 -1.26 -4.15 115.64 108.67 3i2f s THR 458 Ca -0.07 -0.51 0.06 0.00 -1.21 0.00 0.00 61.69 59.96 3i2f s THR 458 Cb -0.01 -2.33 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 3i2f s THR 458 CO 0.00 0.00 0.09 -1.81 -2.21 0.00 0.00 174.62 170.70 3i2f s ASP 459 N -3.15 5.22 -0.03 8.08 1.01 -1.26 -0.99 116.67 125.54 3i2f s ASP 459 Ca 0.17 -0.27 0.03 0.00 0.71 0.00 0.00 52.55 53.19 3i2f s ASP 459 Cb -0.00 -1.26 0.00 0.00 1.01 0.00 0.00 42.92 42.67 3i2f s ASP 459 CO 0.02 0.06 -0.10 -0.36 0.21 0.00 0.00 175.17 174.99 3i2f s PHE 460 N -1.84 1.08 0.14 4.23 0.08 0.09 -4.34 117.98 117.43 3i2f s PHE 460 Ca 0.30 -0.29 0.11 0.00 0.12 0.00 0.00 56.93 57.17 3i2f s PHE 460 Cb -0.09 -0.77 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 3i2f s PHE 460 CO 0.22 -0.12 -0.23 0.95 -0.10 0.00 0.00 175.22 175.93 3i2f s THR 461 N 0.21 2.46 -0.01 0.64 -4.23 0.86 -0.71 115.64 114.86 3i2f s THR 461 Ca -0.04 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3i2f s THR 461 Cb -0.10 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.63 3i2f s THR 461 CO 0.01 0.04 -0.01 0.00 -0.54 0.00 0.00 174.62 174.12 3i2f s ALA 462 N -1.24 0.18 -0.06 3.99 0.00 -0.80 -2.16 121.76 121.67 3i2f s ALA 462 Ca 0.17 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3i2f s ALA 462 Cb -0.10 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.90 3i2f s ALA 462 CO 0.08 -0.01 -0.10 0.21 0.00 0.00 0.00 175.76 175.94 3i2f s LYS 463 N 0.39 1.40 -0.06 0.00 2.20 -0.01 -1.11 119.74 122.55 3i2f s LYS 463 Ca -0.04 -0.31 -0.21 0.00 -0.36 0.00 0.00 55.97 55.06 3i2f s LYS 463 Cb -0.06 -1.21 -0.04 0.00 -1.51 0.00 0.00 37.83 35.01 3i2f s LYS 463 CO -0.01 -0.01 0.59 -1.17 -0.36 0.00 0.00 175.35 174.39 3i2f s LEU 464 N 0.74 4.34 -0.02 5.43 2.96 0.02 -0.75 118.68 131.40 3i2f s LEU 464 Ca -0.14 1.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.85 3i2f s LEU 464 Cb -0.15 -2.90 0.00 0.00 0.50 0.00 0.00 46.19 43.64 3i2f s LEU 464 CO 0.03 0.00 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.30 3i2f s VAL 465 N 0.38 0.58 -0.35 1.68 1.01 0.15 -0.81 120.40 123.04 3i2f s VAL 465 Ca 0.31 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 3i2f s VAL 465 Cb -0.17 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3i2f s VAL 465 CO 0.15 0.19 0.28 -0.62 0.00 0.00 0.00 175.10 175.10 3i2f s ASP 466 N 0.15 6.10 -0.30 3.32 -1.08 -0.14 -1.26 116.67 123.46 3i2f s ASP 466 Ca -0.02 -0.43 -0.17 0.00 -0.52 0.00 0.00 52.55 51.41 3i2f s ASP 466 Cb -0.07 -2.16 -0.02 0.00 -1.46 0.00 0.00 42.92 39.22 3i2f s ASP 466 CO -0.00 -0.29 0.46 -0.69 0.52 0.00 0.00 175.17 175.17 3i2f s VAL 467 N 1.80 5.09 0.48 1.11 1.01 -0.69 -0.58 120.40 128.61 3i2f s VAL 467 Ca 0.07 0.54 -0.14 0.00 0.00 0.00 0.00 61.98 62.46 3i2f s VAL 467 Cb -0.17 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 3i2f s VAL 467 CO 0.11 -0.01 0.90 -0.36 0.00 0.00 0.00 175.10 175.74 3i2f s PHE 468 N 2.25 3.47 0.37 5.22 0.40 0.10 -1.78 117.98 128.01 3i2f s PHE 468 Ca 0.18 1.29 0.06 0.00 -0.60 0.00 0.00 56.93 57.86 3i2f s PHE 468 Cb -0.16 -2.65 0.76 0.00 0.51 0.00 0.00 43.02 41.49 3i2f s PHE 468 CO 0.11 -0.28 1.97 -1.35 0.70 0.00 0.00 175.22 176.36 3i2f h PRO 469 N 0.97 0.70 0.00 0.24 0.11 -1.87 -1.70 132.00 130.46 3i2f h PRO 469 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i2f h PRO 469 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3i2f h PRO 469 CO 0.62 0.47 0.00 -0.40 -0.21 0.00 0.00 178.00 178.48 3i2f n ASP 470 N -4.48 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.56 3i2f n ASP 470 Ca 0.10 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 3i2f n ASP 470 Cb 0.22 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 3i2f n ASP 470 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i2f n GLY 471 N 0.05 1.53 3.60 6.12 0.00 -0.64 -5.08 105.19 110.76 3i2f n GLY 471 Ca 0.06 -0.22 -0.51 0.00 0.00 0.00 0.00 46.02 45.34 3i2f n GLY 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2f n ARG 472 N 0.00 1.26 -3.88 1.61 1.74 -1.26 -4.68 116.66 111.44 3i2f n ARG 472 Ca 0.00 0.45 -0.33 0.00 -0.77 0.00 0.00 57.85 57.20 3i2f n ARG 472 Cb 0.00 -2.11 -0.13 0.00 -1.02 0.00 0.00 32.46 29.20 3i2f n ARG 472 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i2f s ALA 473 N 0.59 3.23 -0.29 7.54 0.00 -1.26 0.01 121.76 131.58 3i2f s ALA 473 Ca 0.84 -2.92 -0.20 0.00 0.00 0.00 0.00 51.96 49.68 3i2f s ALA 473 Cb -0.93 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 3i2f s ALA 473 CO 0.46 -1.90 0.59 0.42 0.00 0.00 0.00 175.76 175.33 3i2f s ILE 474 N 0.37 4.98 0.23 0.00 -1.09 0.25 0.15 121.20 126.10 3i2f s ILE 474 Ca 0.14 0.89 -0.31 0.00 -2.23 0.00 0.00 60.65 59.13 3i2f s ILE 474 Cb -0.22 -3.94 -0.13 0.00 -1.58 0.00 0.00 42.46 36.58 3i2f s ILE 474 CO -0.04 -0.05 1.41 0.00 -1.23 0.00 0.00 174.94 175.03 3i2f n ALA 475 N 5.75 1.07 -2.00 9.38 0.00 -0.69 -0.97 120.51 133.05 3i2f n ALA 475 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3i2f n ALA 475 Cb 0.49 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3i2f n ALA 475 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i2f n LEU 476 N 2.20 0.00 -4.50 0.00 4.77 0.01 -4.44 117.00 115.04 3i2f n LEU 476 Ca 0.12 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.83 3i2f n LEU 476 Cb 0.31 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 3i2f n LEU 476 CO 0.63 0.00 -0.47 0.00 -1.33 0.00 0.00 177.39 176.22 3i2f s ASP 478 N -2.83 0.19 0.38 0.00 -4.77 -1.24 -0.80 116.67 107.61 3i2f s ASP 478 Ca 0.23 -1.22 -0.16 0.00 -3.30 0.00 0.00 52.55 48.10 3i2f s ASP 478 Cb -0.08 0.50 0.06 0.00 -1.09 0.00 0.00 42.92 42.31 3i2f s ASP 478 CO 0.13 -1.02 0.81 -0.83 0.70 0.00 0.00 175.17 174.95 3i2f s GLY 479 N -3.12 0.37 0.00 2.12 0.00 -0.27 -4.25 107.32 102.18 3i2f s GLY 479 Ca 0.31 -0.74 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 3i2f s GLY 479 CO 0.12 -0.14 0.16 -1.50 0.00 0.00 0.00 173.10 171.75 3i2f s ILE 480 N -2.23 0.08 -0.09 0.90 2.07 -1.26 -1.90 121.20 118.77 3i2f s ILE 480 Ca 0.16 -0.68 0.02 0.00 -1.41 0.00 0.00 60.65 58.74 3i2f s ILE 480 Cb -0.05 -0.48 0.02 0.00 0.13 0.00 0.00 42.46 42.08 3i2f s ILE 480 CO 0.11 -0.37 -0.13 0.54 -1.91 0.00 0.00 174.94 173.18 3i2f s VAL 481 N -1.43 1.28 -0.20 4.00 0.11 0.11 -3.94 120.40 120.35 3i2f s VAL 481 Ca -0.14 -0.53 -0.22 0.00 -2.93 0.00 0.00 61.98 58.16 3i2f s VAL 481 Cb -0.07 -1.19 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 3i2f s VAL 481 CO 0.02 0.40 0.70 -0.60 -3.33 0.00 0.00 175.10 172.29 3i2f s ARG 482 N 0.95 4.23 0.42 1.54 3.52 -0.61 -0.73 118.95 128.27 3i2f s ARG 482 Ca -0.09 0.75 0.09 0.00 -0.13 0.00 0.00 55.73 56.36 3i2f s ARG 482 Cb -0.15 -3.59 0.90 0.00 -1.56 0.00 0.00 34.95 30.55 3i2f s ARG 482 CO -0.00 -0.30 2.03 0.52 -0.81 0.00 0.00 175.30 176.74 3i2f h MET 483 N 7.48 0.37 -0.09 5.12 2.86 -1.39 0.72 114.93 130.00 3i2f h MET 483 Ca -0.30 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.33 3i2f h MET 483 Cb 1.13 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 3i2f h MET 483 CO 0.80 0.31 0.09 0.07 1.06 0.00 0.00 176.91 179.24 3i2f h ARG 484 N 0.38 0.00 -0.52 1.72 0.11 -1.82 -1.91 114.38 112.33 3i2f h ARG 484 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 3i2f h ARG 484 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 3i2f h ARG 484 CO -0.01 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.72 3i2f n TYR 485 N -3.96 1.45 -0.27 4.08 4.01 0.24 -2.09 117.16 120.62 3i2f n TYR 485 Ca -0.01 -0.69 0.11 0.00 -0.16 0.00 0.00 57.90 57.16 3i2f n TYR 485 Cb 0.20 -0.31 0.37 0.00 -0.31 0.00 0.00 39.34 39.28 3i2f n TYR 485 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 3i2f h ARG 486 N 3.42 0.70 0.00 -0.72 0.11 -1.29 -3.14 114.38 113.45 3i2f h ARG 486 Ca 0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 3i2f h ARG 486 Cb 1.53 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 32.45 3i2f h ARG 486 CO 0.28 0.46 -1.55 0.39 0.10 0.00 0.00 179.97 179.65 3i2f n GLU 487 N -4.55 0.51 -3.64 0.08 -0.58 -1.26 -4.75 120.64 106.44 3i2f n GLU 487 Ca 0.17 -0.10 -0.15 0.00 -0.42 0.00 0.00 57.16 56.66 3i2f n GLU 487 Cb 0.44 -1.28 -0.08 0.00 -0.57 0.00 0.00 31.44 29.95 3i2f n GLU 487 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3i2f s THR 488 N -2.76 0.02 -1.73 2.62 -1.32 -1.19 -5.02 115.64 106.26 3i2f s THR 488 Ca -0.04 -0.16 0.26 0.00 -1.21 0.00 0.00 61.69 60.54 3i2f s THR 488 Cb 0.07 -0.81 0.27 0.00 -1.51 0.00 0.00 72.50 70.52 3i2f s THR 488 CO 0.48 -0.09 1.58 0.18 -2.21 0.00 0.00 174.62 174.56 3i2f n LEU 489 N 1.51 0.99 -0.10 9.08 4.77 -1.26 -4.33 117.00 127.66 3i2f n LEU 489 Ca -0.18 -0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 55.36 3i2f n LEU 489 Cb 0.56 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 3i2f n LEU 489 CO 0.19 0.19 -1.16 0.52 -1.33 0.00 0.00 177.39 175.80 3i2f n VAL 490 N -0.69 1.07 -3.76 4.08 0.31 -1.26 -0.92 118.33 117.17 3i2f n VAL 490 Ca 0.12 -0.31 -0.28 0.00 -0.01 0.00 0.00 64.34 63.87 3i2f n VAL 490 Cb 0.34 -1.61 -0.11 0.00 -0.91 0.00 0.00 33.84 31.55 3i2f n VAL 490 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i2f n ASN 491 N -3.67 3.02 -4.75 4.52 3.02 -1.26 -4.73 115.26 111.40 3i2f n ASN 491 Ca -0.37 -3.23 -0.36 0.00 -0.03 0.00 0.00 54.58 50.59 3i2f n ASN 491 Cb 0.79 -0.73 0.04 0.00 -0.61 0.00 0.00 39.78 39.27 3i2f n ASN 491 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i2f s PRO 492 N -1.64 2.90 0.02 3.52 0.04 -1.26 -4.82 135.00 133.76 3i2f s PRO 492 Ca 0.29 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.14 3i2f s PRO 492 Cb 0.01 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 3i2f s PRO 492 CO -0.14 -1.26 -0.04 0.95 0.04 0.00 0.00 177.00 176.55 3i2f s THR 493 N -1.65 0.24 1.10 1.26 -4.23 -0.89 -5.03 115.64 106.44 3i2f s THR 493 Ca 0.77 -0.76 -0.18 0.00 -1.18 0.00 0.00 61.69 60.34 3i2f s THR 493 Cb -0.30 -0.33 0.24 0.00 1.34 0.00 0.00 72.50 73.46 3i2f s THR 493 CO 0.34 -0.34 1.19 -0.76 -0.54 0.00 0.00 174.62 174.51 3i2f s LEU 494 N -1.16 1.51 0.25 4.79 1.43 -1.26 -4.24 118.68 120.00 3i2f s LEU 494 Ca -0.10 0.53 0.11 0.00 -1.03 0.00 0.00 54.13 53.64 3i2f s LEU 494 Cb -0.08 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 3i2f s LEU 494 CO -0.00 -3.52 -0.20 0.27 0.23 0.00 0.00 176.35 173.13 3i2f s ILE 495 N -3.34 2.30 -0.13 -0.59 -4.36 -0.73 -4.99 121.20 109.35 3i2f s ILE 495 Ca 0.71 -2.28 -0.21 0.00 -0.26 0.00 0.00 60.65 58.61 3i2f s ILE 495 Cb -0.08 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 3i2f s ILE 495 CO 0.55 -0.38 0.61 -1.61 0.24 0.00 0.00 174.94 174.35 3i2f s GLU 496 N -3.34 4.32 0.04 0.37 0.41 -1.26 -4.48 118.70 114.76 3i2f s GLU 496 Ca 0.26 0.65 -0.37 0.00 -0.41 0.00 0.00 54.97 55.10 3i2f s GLU 496 Cb -0.05 -3.50 -0.17 0.00 -1.78 0.00 0.00 34.13 28.64 3i2f s GLU 496 CO 0.12 -0.03 1.39 0.00 -0.49 0.00 0.00 175.26 176.25 3i2f n ALA 497 N 4.26 -0.92 0.00 5.21 0.00 -1.26 -2.01 120.51 125.80 3i2f n ALA 497 Ca -0.03 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3i2f n ALA 497 Cb 0.51 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3i2f n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2f n GLY 498 N 2.71 2.93 3.75 0.00 0.00 0.64 -4.98 105.19 110.24 3i2f n GLY 498 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3i2f n GLY 498 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i2f s GLU 499 N -0.28 4.53 -0.09 1.61 2.12 -0.85 -4.86 118.70 120.89 3i2f s GLU 499 Ca 0.00 1.87 -0.28 0.00 0.36 0.00 0.00 54.97 56.92 3i2f s GLU 499 Cb 0.00 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 3i2f s GLU 499 CO 0.00 -0.01 0.94 0.42 -0.54 0.00 0.00 175.26 176.08 3i2f s ILE 500 N -0.44 4.84 0.08 -3.70 1.01 -1.26 -4.40 121.20 117.34 3i2f s ILE 500 Ca 0.50 1.93 0.09 0.00 0.00 0.00 0.00 60.65 63.17 3i2f s ILE 500 Cb -0.33 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 37.85 3i2f s ILE 500 CO 0.39 0.07 -0.23 -0.31 0.00 0.00 0.00 174.94 174.86 3i2f s TYR 501 N 1.70 2.42 -0.32 3.97 2.02 0.12 -4.92 117.35 122.33 3i2f s TYR 501 Ca 0.46 -0.34 -0.12 0.00 -0.37 0.00 0.00 57.07 56.71 3i2f s TYR 501 Cb -0.19 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 3i2f s TYR 501 CO 0.19 0.26 0.23 -2.00 -1.57 0.00 0.00 175.55 172.66 3i2f s GLU 502 N -1.68 3.60 0.07 -0.62 2.12 -1.26 -0.43 118.70 120.50 3i2f s GLU 502 Ca 0.14 -0.57 0.09 0.00 0.36 0.00 0.00 54.97 54.99 3i2f s GLU 502 Cb -0.10 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.49 3i2f s GLU 502 CO 0.05 -0.38 -0.23 0.14 -0.54 0.00 0.00 175.26 174.31 3i2f s VAL 503 N 1.73 2.46 -0.02 3.70 -7.23 0.03 -4.95 120.40 116.13 3i2f s VAL 503 Ca 0.06 -1.40 -0.16 0.00 -1.81 0.00 0.00 61.98 58.68 3i2f s VAL 503 Cb -0.17 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 3i2f s VAL 503 CO 0.11 0.28 0.44 0.00 -0.31 0.00 0.00 175.10 175.62 3i2f s ALA 504 N -0.93 3.63 -0.21 1.32 0.00 -1.26 -1.31 121.76 123.01 3i2f s ALA 504 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3i2f s ALA 504 Cb -0.10 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.56 3i2f s ALA 504 CO 0.05 0.35 -0.14 0.42 0.00 0.00 0.00 175.76 176.43 3i2f s ILE 505 N -0.64 2.38 -0.41 0.00 1.01 0.56 -4.77 121.20 119.33 3i2f s ILE 505 Ca 0.25 -1.01 -0.27 0.00 0.00 0.00 0.00 60.65 59.62 3i2f s ILE 505 Cb -0.17 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.22 3i2f s ILE 505 CO 0.13 0.38 1.03 -0.62 0.00 0.00 0.00 174.94 175.86 3i2f s ASP 506 N 1.29 6.69 -0.29 3.58 -1.08 -1.26 -0.51 116.67 125.08 3i2f s ASP 506 Ca 0.02 0.56 0.11 0.00 -0.52 0.00 0.00 52.55 52.72 3i2f s ASP 506 Cb -0.15 -2.51 0.66 0.00 -1.46 0.00 0.00 42.92 39.47 3i2f s ASP 506 CO -0.09 -1.03 1.68 0.23 0.52 0.00 0.00 175.17 176.48 3i2f n MET 507 N 7.21 3.21 0.00 4.34 2.81 -0.19 -4.21 117.12 130.29 3i2f n MET 507 Ca 0.10 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 52.93 3i2f n MET 507 Cb 0.48 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 3i2f n MET 507 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3i2f n LEU 508 N -0.42 0.00 -3.65 4.03 4.77 -1.22 -3.64 117.00 116.86 3i2f n LEU 508 Ca 0.36 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.24 3i2f n LEU 508 Cb 1.24 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.29 3i2f n LEU 508 CO 0.34 0.00 0.25 0.00 -1.33 0.00 0.00 177.39 176.65 3i2f s ALA 509 N -1.59 -1.04 0.26 -1.18 0.00 -1.26 -0.75 121.76 116.20 3i2f s ALA 509 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 3i2f s ALA 509 Cb 0.00 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.93 3i2f s ALA 509 CO 0.00 -0.73 0.62 -0.08 0.00 0.00 0.00 175.76 175.57 3i2f s THR 510 N -3.83 0.00 -0.23 0.00 -1.32 -0.86 -4.71 115.64 104.69 3i2f s THR 510 Ca 0.05 -1.07 -0.04 0.00 -1.21 0.00 0.00 61.69 59.42 3i2f s THR 510 Cb 0.00 -1.99 0.08 0.00 -1.51 0.00 0.00 72.50 69.08 3i2f s THR 510 CO -0.08 -0.01 0.11 -0.55 -2.21 0.00 0.00 174.62 171.88 3i2f s SER 511 N -2.94 2.87 -0.06 8.08 0.15 -1.25 -1.56 113.70 118.98 3i2f s SER 511 Ca 0.14 -0.92 -0.05 0.00 0.70 0.00 0.00 55.95 55.83 3i2f s SER 511 Cb -0.04 -0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 3i2f s SER 511 CO 0.06 -0.39 0.16 0.21 1.20 0.00 0.00 173.24 174.48 3i2f s ASN 512 N 2.13 -0.15 -0.32 5.45 2.47 0.12 -0.26 114.94 124.37 3i2f s ASN 512 Ca 0.05 0.32 -0.15 0.00 0.42 0.00 0.00 52.86 53.51 3i2f s ASN 512 Cb -0.16 0.28 -0.02 0.00 -1.45 0.00 0.00 41.25 39.90 3i2f s ASN 512 CO -0.22 -0.09 0.34 -0.69 -3.72 0.00 0.00 177.10 172.72 3i2f s VAL 513 N 0.48 5.19 -0.41 -5.21 1.01 0.13 -0.58 120.40 121.01 3i2f s VAL 513 Ca -0.03 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 3i2f s VAL 513 Cb -0.05 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3i2f s VAL 513 CO -0.02 -0.00 1.04 -0.36 0.00 0.00 0.00 175.10 175.76 3i2f s PHE 514 N 1.98 2.98 0.54 5.22 0.40 -0.35 -4.29 117.98 124.46 3i2f s PHE 514 Ca 0.12 0.81 -0.07 0.00 -0.60 0.00 0.00 56.93 57.18 3i2f s PHE 514 Cb -0.16 -4.00 -0.04 0.00 0.51 0.00 0.00 43.02 39.33 3i2f s PHE 514 CO 0.11 -1.01 0.88 -0.51 0.70 0.00 0.00 175.22 175.39 3i2f s LEU 515 N 3.92 3.47 0.36 -0.37 1.43 -1.26 -1.73 118.68 124.51 3i2f s LEU 515 Ca 0.43 1.11 -0.28 0.00 -1.03 0.00 0.00 54.13 54.37 3i2f s LEU 515 Cb -0.10 -4.10 -0.12 0.00 0.03 0.00 0.00 46.19 41.91 3i2f s LEU 515 CO 0.24 -0.70 1.36 -2.65 0.23 0.00 0.00 176.35 174.83 3i2f n PRO 516 N -2.45 2.30 0.00 1.29 -0.02 -1.26 -1.34 135.00 133.51 3i2f n PRO 516 Ca 0.03 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3i2f n PRO 516 Cb 0.55 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3i2f n PRO 516 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i2f n GLY 517 N 0.66 2.87 3.99 -1.23 0.00 0.19 -4.97 105.19 106.70 3i2f n GLY 517 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 3i2f n GLY 517 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i2f s HIS 518 N -2.79 2.37 0.13 1.61 3.76 -0.45 -3.91 115.29 116.01 3i2f s HIS 518 Ca 0.00 -0.24 0.07 0.00 -0.15 0.00 0.00 55.06 54.75 3i2f s HIS 518 Cb 0.00 -2.67 -0.04 0.00 1.11 0.00 0.00 32.58 30.98 3i2f s HIS 518 CO 0.00 -1.02 -0.16 1.03 -0.85 0.00 0.00 174.74 173.73 3i2f s ARG 519 N -4.76 1.12 -0.12 1.40 0.52 -0.73 -1.37 118.95 115.00 3i2f s ARG 519 Ca 0.60 -1.29 -0.17 0.00 -0.52 0.00 0.00 55.73 54.34 3i2f s ARG 519 Cb -0.09 -1.11 -0.04 0.00 0.52 0.00 0.00 34.95 34.23 3i2f s ARG 519 CO 0.39 0.22 0.44 0.42 0.02 0.00 0.00 175.30 176.80 3i2f s ILE 520 N -1.99 5.20 0.02 1.52 1.01 -1.26 -1.71 121.20 123.99 3i2f s ILE 520 Ca 0.11 0.88 0.02 0.00 0.00 0.00 0.00 60.65 61.66 3i2f s ILE 520 Cb -0.06 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 3i2f s ILE 520 CO 0.04 0.35 -0.07 -0.32 0.00 0.00 0.00 174.94 174.95 3i2f s MET 521 N 0.51 0.49 -0.08 2.79 1.75 -0.39 -0.68 119.30 123.68 3i2f s MET 521 Ca 0.24 -0.43 0.05 0.00 -1.25 0.00 0.00 55.69 54.30 3i2f s MET 521 Cb -0.15 -0.39 -0.00 0.00 2.84 0.00 0.00 34.83 37.13 3i2f s MET 521 CO 0.09 0.09 -0.24 0.54 -0.65 0.00 0.00 175.02 174.86 3i2f s VAL 522 N -0.64 2.00 -0.23 10.11 0.11 0.08 0.34 120.40 132.17 3i2f s VAL 522 Ca -0.03 -1.00 -0.11 0.00 -2.93 0.00 0.00 61.98 57.91 3i2f s VAL 522 Cb -0.05 -1.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.04 3i2f s VAL 522 CO 0.00 0.55 0.19 -1.10 -3.33 0.00 0.00 175.10 171.41 3i2f s GLN 523 N 0.15 4.10 -0.10 1.54 -0.21 0.07 -1.79 119.66 123.43 3i2f s GLN 523 Ca -0.12 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.06 3i2f s GLN 523 Cb -0.16 -3.53 -0.03 0.00 1.00 0.00 0.00 33.01 30.30 3i2f s GLN 523 CO 0.07 0.07 -0.09 0.08 -2.12 0.00 0.00 175.29 173.30 3i2f s VAL 524 N 1.02 3.49 0.00 1.09 1.01 -0.14 -0.83 120.40 126.04 3i2f s VAL 524 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3i2f s VAL 524 Cb -0.13 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.80 3i2f s VAL 524 CO 0.04 0.56 0.00 -0.24 0.00 0.00 0.00 175.10 175.46 3i2f n SER 525 N 2.77 0.00 -0.10 3.32 2.88 -0.92 -0.87 113.62 120.70 3i2f n SER 525 Ca -0.18 -0.30 0.03 0.00 -1.33 0.00 0.00 58.87 57.10 3i2f n SER 525 Cb 0.53 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.03 3i2f n SER 525 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i2f n SER 526 N -0.46 1.44 -3.47 -3.46 7.64 -1.26 -0.10 113.62 113.96 3i2f n SER 526 Ca 0.00 -2.16 -0.11 0.00 1.01 0.00 0.00 58.87 57.60 3i2f n SER 526 Cb 0.00 -0.17 -0.02 0.00 -1.01 0.00 0.00 64.21 63.01 3i2f n SER 526 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i2f s SER 527 N -1.41 -0.53 -0.46 6.43 1.04 -1.26 -4.34 113.70 113.16 3i2f s SER 527 Ca 0.10 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.50 3i2f s SER 527 Cb 0.09 0.61 0.20 0.00 0.10 0.00 0.00 66.02 67.02 3i2f s SER 527 CO 0.01 -1.00 0.86 -3.20 0.98 0.00 0.00 173.24 170.89 3i2f n ASN 528 N -0.38 -2.82 -4.46 7.02 2.85 -1.23 -4.39 115.26 111.84 3i2f n ASN 528 Ca -0.15 -2.42 -0.33 0.00 -0.11 0.00 0.00 54.58 51.57 3i2f n ASN 528 Cb 0.64 1.47 -0.13 0.00 1.24 0.00 0.00 39.78 43.00 3i2f n ASN 528 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 3i2f s PHE 529 N 0.85 2.75 -0.77 1.20 5.36 -0.03 -0.89 117.98 126.45 3i2f s PHE 529 Ca 0.28 -0.25 0.12 0.00 -0.96 0.00 0.00 56.93 56.12 3i2f s PHE 529 Cb 0.06 -1.69 0.59 0.00 -0.34 0.00 0.00 43.02 41.65 3i2f s PHE 529 CO -0.09 0.11 1.43 -0.35 -1.46 0.00 0.00 175.22 174.86 3i2f n PRO 530 N 2.58 3.58 -0.14 10.12 -0.04 -1.26 -0.05 135.00 149.79 3i2f n PRO 530 Ca -0.17 -2.28 -0.04 0.00 -0.04 0.00 0.00 63.50 60.97 3i2f n PRO 530 Cb 0.52 -1.94 0.02 0.00 -0.04 0.00 0.00 33.50 32.06 3i2f n PRO 530 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i2f h LYS 531 N 3.03 -0.06 -6.74 0.54 1.63 -1.89 -2.60 116.57 110.48 3i2f h LYS 531 Ca 0.00 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 59.11 3i2f h LYS 531 Cb 1.43 0.01 -0.24 0.00 -0.60 0.00 0.00 32.23 32.83 3i2f h LYS 531 CO 0.29 -0.04 -0.85 0.71 -3.45 0.00 0.00 179.45 176.11 3i2f s TYR 532 N -6.18 2.40 0.66 1.91 2.02 -0.07 -3.69 117.35 114.40 3i2f s TYR 532 Ca -0.14 -0.35 -0.16 0.00 -0.37 0.00 0.00 57.07 56.05 3i2f s TYR 532 Cb 0.15 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 3i2f s TYR 532 CO 0.71 0.23 1.14 0.16 -1.57 0.00 0.00 175.55 176.22 3i2f s ASP 533 N -1.57 4.95 0.16 2.29 -4.77 -0.42 -4.12 116.67 113.19 3i2f s ASP 533 Ca 0.14 2.12 -0.30 0.00 -3.30 0.00 0.00 52.55 51.20 3i2f s ASP 533 Cb -0.10 -2.56 -0.07 0.00 -1.09 0.00 0.00 42.92 39.09 3i2f s ASP 533 CO 0.05 -1.74 1.00 -0.13 0.70 0.00 0.00 175.17 175.04 3i2f s ARG 534 N -3.94 4.70 0.12 2.11 0.52 -1.26 -4.81 118.95 116.39 3i2f s ARG 534 Ca 0.70 1.54 -0.30 0.00 -0.52 0.00 0.00 55.73 57.15 3i2f s ARG 534 Cb -0.23 -3.33 -0.07 0.00 0.52 0.00 0.00 34.95 31.84 3i2f s ARG 534 CO 0.41 0.23 1.20 1.21 0.02 0.00 0.00 175.30 178.36 3i2f s ASN 535 N -0.26 7.09 0.27 0.23 3.84 -1.26 -4.93 114.94 119.92 3i2f s ASN 535 Ca 0.47 2.12 0.25 0.00 0.21 0.00 0.00 52.86 55.91 3i2f s ASN 535 Cb -0.26 -2.59 0.93 0.00 -0.55 0.00 0.00 41.25 38.78 3i2f s ASN 535 CO 0.32 -0.42 1.75 0.77 -2.79 0.00 0.00 177.10 176.73 3i2f h SER 536 N 6.04 0.00 -1.54 -4.21 4.64 -1.91 -3.43 113.55 113.14 3i2f h SER 536 Ca -0.43 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.59 3i2f h SER 536 Cb 1.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 3i2f h SER 536 CO 0.78 0.00 -0.34 0.59 -0.87 0.00 0.00 176.83 176.99 3i2f n ASN 537 N -2.35 -4.65 -0.00 4.97 3.02 -1.26 -1.95 115.26 113.04 3i2f n ASN 537 Ca 0.03 0.15 0.01 0.00 -0.03 0.00 0.00 54.58 54.74 3i2f n ASN 537 Cb 0.31 -3.66 -0.02 0.00 -0.61 0.00 0.00 39.78 35.80 3i2f n ASN 537 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3i2f n THR 538 N -3.40 0.05 -0.68 3.41 -2.24 -1.26 -4.42 114.28 105.74 3i2f n THR 538 Ca -0.17 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3i2f n THR 538 Cb 0.58 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3i2f n THR 538 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2f n GLY 539 N 2.46 0.79 0.00 3.38 0.00 -1.26 -4.77 105.19 105.78 3i2f n GLY 539 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i2f n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2f n GLY 540 N -2.20 -1.30 3.48 -0.02 0.00 -1.26 -4.96 105.19 98.93 3i2f n GLY 540 Ca 0.00 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 3i2f n GLY 540 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2f s VAL 541 N -0.95 4.33 0.29 1.61 1.01 -1.26 -4.92 120.40 120.50 3i2f s VAL 541 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3i2f s VAL 541 Cb 0.00 -4.81 0.31 0.00 0.00 0.00 0.00 36.38 31.88 3i2f s VAL 541 CO 0.00 -1.60 1.66 0.40 0.00 0.00 0.00 175.10 175.56 3i2f h ILE 542 N 6.07 0.34 0.00 2.22 2.04 -1.96 0.12 117.51 126.35 3i2f h ILE 542 Ca -0.05 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3i2f h ILE 542 Cb 1.04 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3i2f h ILE 542 CO 1.21 0.05 0.00 0.00 0.00 0.00 0.00 178.15 179.41 3i2f h ALA 543 N 1.77 1.00 -0.08 1.87 0.00 -1.91 -2.83 119.26 119.08 3i2f h ALA 543 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3i2f h ALA 543 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3i2f h ALA 543 CO -0.63 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.16 3i2f n ARG 544 N -2.62 2.18 -3.44 0.00 1.74 0.40 -0.99 116.66 113.92 3i2f n ARG 544 Ca 0.02 -1.72 -0.36 0.00 -0.77 0.00 0.00 57.85 55.03 3i2f n ARG 544 Cb 0.32 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 3i2f n ARG 544 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3i2f s GLU 545 N -1.92 3.92 0.11 5.56 2.02 -1.07 -4.82 118.70 122.50 3i2f s GLU 545 Ca 0.32 0.40 -0.26 0.00 0.02 0.00 0.00 54.97 55.45 3i2f s GLU 545 Cb 0.20 -3.01 -0.07 0.00 0.10 0.00 0.00 34.13 31.36 3i2f s GLU 545 CO 0.31 0.54 0.79 -0.65 0.02 0.00 0.00 175.26 176.27 3i2f s GLN 546 N -1.78 4.55 0.22 1.61 -1.52 -1.26 -4.01 119.66 117.46 3i2f s GLN 546 Ca 0.34 1.15 -0.15 0.00 -1.95 0.00 0.00 55.36 54.75 3i2f s GLN 546 Cb -0.15 -3.31 0.24 0.00 -0.22 0.00 0.00 33.01 29.57 3i2f s GLN 546 CO 0.18 0.43 1.60 1.25 -0.25 0.00 0.00 175.29 178.50 3i2f h LEU 547 N 4.94 -0.83 -2.05 2.90 5.85 -1.95 0.91 115.31 125.09 3i2f h LEU 547 Ca -0.45 0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.60 3i2f h LEU 547 Cb 1.21 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 42.71 3i2f h LEU 547 CO 0.68 -0.26 0.33 -0.08 -0.34 0.00 0.00 178.44 178.77 3i2f h GLU 548 N -0.05 0.00 -0.56 1.25 4.81 -1.99 -0.93 114.58 117.12 3i2f h GLU 548 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3i2f h GLU 548 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3i2f h GLU 548 CO -0.73 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 177.94 3i2f n GLU 549 N -4.17 2.55 -3.40 1.92 -0.58 0.30 -4.91 120.64 112.35 3i2f n GLU 549 Ca 0.07 -1.90 -0.27 0.00 -0.42 0.00 0.00 57.16 54.64 3i2f n GLU 549 Cb 0.51 -1.55 -0.03 0.00 -0.57 0.00 0.00 31.44 29.80 3i2f n GLU 549 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3i2f s MET 550 N -1.55 3.57 0.15 3.49 -1.94 -0.35 -4.89 119.30 117.77 3i2f s MET 550 Ca 0.35 -0.14 0.04 0.00 -1.71 0.00 0.00 55.69 54.23 3i2f s MET 550 Cb 0.20 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 34.32 3i2f s MET 550 CO 0.20 0.23 0.14 0.00 -0.01 0.00 0.00 175.02 175.57 3i2f s THR 552 N -1.68 3.59 -0.02 0.00 -4.23 -1.26 -4.50 115.64 107.55 3i2f s THR 552 Ca 0.31 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 61.16 3i2f s THR 552 Cb -0.11 -3.48 0.01 0.00 1.34 0.00 0.00 72.50 70.26 3i2f s THR 552 CO 0.24 -0.59 -0.05 0.00 -0.54 0.00 0.00 174.62 173.67 3i2f s ALA 553 N -3.22 0.53 -0.38 3.99 0.00 -0.09 -4.89 121.76 117.70 3i2f s ALA 553 Ca 0.56 -0.17 -0.20 0.00 0.00 0.00 0.00 51.96 52.16 3i2f s ALA 553 Cb -0.11 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.80 3i2f s ALA 553 CO 0.49 0.08 0.61 0.08 0.00 0.00 0.00 175.76 177.02 3i2f s VAL 554 N 0.23 4.89 0.13 0.00 1.01 -1.26 -0.08 120.40 125.32 3i2f s VAL 554 Ca -0.02 0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.41 3i2f s VAL 554 Cb -0.07 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3i2f s VAL 554 CO -0.00 -0.39 -0.09 0.20 0.00 0.00 0.00 175.10 174.82 3i2f s ASN 555 N 1.85 4.38 -0.01 3.32 0.02 0.87 -1.46 114.94 123.91 3i2f s ASN 555 Ca 0.23 -0.44 -0.00 0.00 -1.02 0.00 0.00 52.86 51.62 3i2f s ASN 555 Cb -0.15 -0.81 0.02 0.00 0.02 0.00 0.00 41.25 40.33 3i2f s ASN 555 CO 0.16 0.15 0.03 -0.60 0.02 0.00 0.00 177.10 176.86 3i2f s ARG 556 N -2.43 -0.01 -0.24 -0.60 3.52 -0.34 -1.17 118.95 117.67 3i2f s ARG 556 Ca 0.23 0.12 -0.06 0.00 -0.13 0.00 0.00 55.73 55.88 3i2f s ARG 556 Cb -0.10 -0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.14 3i2f s ARG 556 CO 0.14 -0.09 0.04 0.42 -0.81 0.00 0.00 175.30 175.01 3i2f s ILE 557 N 0.58 4.06 -0.05 4.11 -1.09 0.83 -1.89 121.20 127.76 3i2f s ILE 557 Ca -0.05 -0.27 -0.15 0.00 -2.23 0.00 0.00 60.65 57.95 3i2f s ILE 557 Cb -0.07 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.86 3i2f s ILE 557 CO -0.02 0.35 0.38 -1.00 -1.23 0.00 0.00 174.94 173.43 3i2f s HIS 558 N 1.58 3.64 -0.06 3.97 3.76 0.72 -1.20 115.29 127.71 3i2f s HIS 558 Ca 0.06 0.89 -0.09 0.00 -0.15 0.00 0.00 55.06 55.76 3i2f s HIS 558 Cb -0.15 -2.32 0.02 0.00 1.11 0.00 0.00 32.58 31.24 3i2f s HIS 558 CO 0.02 0.51 0.23 -0.98 -0.85 0.00 0.00 174.74 173.67 3i2f s ARG 559 N -0.55 0.39 0.00 1.40 1.70 -0.63 -4.23 118.95 117.02 3i2f s ARG 559 Ca 0.22 0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 3i2f s ARG 559 Cb -0.16 0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 3i2f s ARG 559 CO 0.11 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.66 3i2f n GLY 560 N 2.33 0.30 0.31 3.88 0.00 -1.10 -0.51 105.19 110.39 3i2f n GLY 560 Ca -0.16 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 3i2f n GLY 560 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i2f h PRO 561 N 5.65 0.94 0.00 1.61 0.11 -1.78 -2.57 132.00 135.96 3i2f h PRO 561 Ca 0.00 -0.23 -0.11 0.00 0.11 0.00 0.00 66.00 65.76 3i2f h PRO 561 Cb 0.00 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 3i2f h PRO 561 CO 0.00 0.88 -0.57 0.93 -0.21 0.00 0.00 178.00 179.03 3i2f h GLU 562 N 0.89 0.00 -2.09 1.05 4.39 -1.93 -3.37 114.58 113.52 3i2f h GLU 562 Ca 0.18 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.30 3i2f h GLU 562 Cb 0.40 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.65 3i2f h GLU 562 CO 0.01 0.52 -0.87 0.72 -1.16 0.00 0.00 179.01 178.23 3i2f n HIS 563 N -3.22 1.52 -1.92 4.33 8.25 -1.16 -5.05 115.22 117.98 3i2f n HIS 563 Ca 0.01 -3.84 -0.42 0.00 -0.26 0.00 0.00 57.72 53.22 3i2f n HIS 563 Cb 0.75 -0.45 -0.01 0.00 1.12 0.00 0.00 29.99 31.40 3i2f n HIS 563 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3i2f n PRO 564 N 1.09 2.72 -1.95 -0.41 -0.04 -0.98 -2.73 135.00 132.71 3i2f n PRO 564 Ca 0.25 -2.69 -0.41 0.00 -0.04 0.00 0.00 63.50 60.61 3i2f n PRO 564 Cb 0.48 -3.33 -0.02 0.00 -0.04 0.00 0.00 33.50 30.59 3i2f n PRO 564 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3i2f s SER 565 N 3.87 6.57 0.10 3.54 0.01 -1.26 -4.95 113.70 121.59 3i2f s SER 565 Ca 0.51 2.80 -0.24 0.00 1.31 0.00 0.00 55.95 60.33 3i2f s SER 565 Cb 0.10 -2.64 0.07 0.00 0.21 0.00 0.00 66.02 63.76 3i2f s SER 565 CO -0.01 -0.73 0.60 -1.38 0.41 0.00 0.00 173.24 172.13 3i2f s HIS 566 N -0.51 -0.54 -0.12 2.43 -3.43 0.20 -1.68 115.29 111.63 3i2f s HIS 566 Ca 0.56 0.49 -0.08 0.00 -0.80 0.00 0.00 55.06 55.24 3i2f s HIS 566 Cb -0.43 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 3i2f s HIS 566 CO 0.51 -0.78 0.15 -1.50 -2.00 0.00 0.00 174.74 171.12 3i2f s ILE 567 N -3.10 5.48 -0.31 -5.38 2.07 -0.50 -0.05 121.20 119.41 3i2f s ILE 567 Ca -0.02 0.23 -0.13 0.00 -1.41 0.00 0.00 60.65 59.32 3i2f s ILE 567 Cb -0.01 -3.42 -0.03 0.00 0.13 0.00 0.00 42.46 39.14 3i2f s ILE 567 CO -0.07 0.60 0.27 -0.69 -1.91 0.00 0.00 174.94 173.14 3i2f s VAL 568 N -0.88 5.25 -0.15 4.00 1.01 1.00 -0.79 120.40 129.84 3i2f s VAL 568 Ca 0.15 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 3i2f s VAL 568 Cb -0.12 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3i2f s VAL 568 CO 0.04 0.08 -0.06 -0.76 0.00 0.00 0.00 175.10 174.39 3i2f s LEU 569 N 1.85 3.08 -1.17 3.92 1.43 -0.38 -3.19 118.68 124.22 3i2f s LEU 569 Ca 0.09 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 52.77 3i2f s LEU 569 Cb -0.17 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.26 3i2f s LEU 569 CO 0.11 0.16 1.91 -0.81 0.23 0.00 0.00 176.35 177.94 3i2f n PRO 570 N 3.61 1.89 -2.39 1.29 -0.04 -1.26 -0.78 135.00 137.32 3i2f n PRO 570 Ca -0.18 -2.55 -0.42 0.00 -0.04 0.00 0.00 63.50 60.31 3i2f n PRO 570 Cb 0.52 -3.60 -0.03 0.00 -0.04 0.00 0.00 33.50 30.35 3i2f n PRO 570 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i2f s ILE 571 N 9.12 3.95 -0.09 0.52 -1.09 -0.78 -1.46 121.20 131.37 3i2f s ILE 571 Ca 0.64 1.40 0.02 0.00 -2.23 0.00 0.00 60.65 60.48 3i2f s ILE 571 Cb 0.02 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.99 3i2f s ILE 571 CO 0.12 0.10 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.14 3i2f s ILE 572 N 1.13 2.82 -0.27 2.92 -1.09 0.49 -1.51 121.20 125.70 3i2f s ILE 572 Ca 0.59 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 3i2f s ILE 572 Cb -0.30 -2.13 0.07 0.00 -1.58 0.00 0.00 42.46 38.52 3i2f s ILE 572 CO 0.29 0.56 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.80 3i2f s LYS 573 N -0.09 1.44 0.00 2.79 2.47 -1.26 -3.85 119.74 121.23 3i2f s LYS 573 Ca -0.03 -1.16 0.00 0.00 -1.56 0.00 0.00 55.97 53.22 3i2f s LYS 573 Cb -0.14 -2.60 0.00 0.00 -1.46 0.00 0.00 37.83 33.63 3i2f s LYS 573 CO 0.04 -0.72 0.07 2.89 0.16 0.00 0.00 175.35 177.78