#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gcj s TRP 2 N 0.00 0.36 -0.45 1.43 -0.00 -1.26 -4.72 118.94 114.30 3gcj s TRP 2 Ca 0.00 0.59 -0.27 0.00 -0.00 0.00 0.00 56.10 56.42 3gcj s TRP 2 Cb 0.00 -3.27 -0.28 0.00 -0.00 0.00 0.00 33.47 29.92 3gcj s TRP 2 CO 0.00 -4.11 1.78 -1.91 -0.00 0.00 0.00 176.95 172.71 3gcj n GLU 3 N -4.97 0.55 0.00 5.86 4.07 -1.26 -4.54 120.64 120.36 3gcj n GLU 3 Ca 0.12 -1.45 -0.08 0.00 -0.06 0.00 0.00 57.16 55.69 3gcj n GLU 3 Cb 0.59 -2.91 -0.13 0.00 -0.06 0.00 0.00 31.44 28.93 3gcj n GLU 3 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 3gcj h VAL 4 N 5.18 1.07 0.00 6.31 -1.51 -2.10 -3.46 116.25 121.73 3gcj h VAL 4 Ca 0.27 -2.87 0.00 0.00 -1.23 0.00 0.00 66.70 62.87 3gcj h VAL 4 Cb 0.75 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 3gcj h VAL 4 CO 1.82 0.61 0.00 0.61 -1.23 0.00 0.00 177.57 179.38 3gcj n GLY 5 N 1.49 -2.11 1.69 5.19 0.00 -1.26 -4.96 105.19 105.23 3gcj n GLY 5 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3gcj n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gcj s GLY 7 N -0.22 -1.68 -0.15 0.00 0.00 -1.26 -4.99 107.32 99.02 3gcj s GLY 7 Ca 0.39 0.51 -0.04 0.00 0.00 0.00 0.00 44.72 45.57 3gcj s GLY 7 CO 0.28 4.15 -0.16 0.00 0.00 0.00 0.00 173.10 177.36 3gcj n ALA 8 N 2.98 1.89 0.57 3.20 0.00 -1.26 -4.77 120.51 123.13 3gcj n ALA 8 Ca 0.12 -0.59 0.06 0.00 0.00 0.00 0.00 53.44 53.02 3gcj n ALA 8 Cb 0.62 0.25 0.30 0.00 0.00 0.00 0.00 19.45 20.63 3gcj n ALA 8 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gcj n PRO 9 N -3.34 0.17 -2.64 0.00 -0.02 -1.26 -4.84 135.00 123.07 3gcj n PRO 9 Ca -0.27 0.17 -0.22 0.00 -2.02 0.00 0.00 63.50 61.16 3gcj n PRO 9 Cb 0.73 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.77 3gcj n PRO 9 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gcj s VAL 10 N -2.56 2.52 0.00 -1.45 -7.23 -1.26 -4.89 120.40 105.52 3gcj s VAL 10 Ca 0.12 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 3gcj s VAL 10 Cb 0.08 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.16 3gcj s VAL 10 CO 0.18 0.00 0.00 -2.65 -0.31 0.00 0.00 175.10 172.32 3gcj n PRO 11 N -2.46 0.00 0.00 4.82 -0.02 -1.26 -5.14 135.00 130.94 3gcj n PRO 11 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3gcj n PRO 11 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 3gcj n PRO 11 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3gcj n LEU 12 N 0.00 0.00 -3.99 2.45 7.94 -1.26 -5.20 117.00 116.95 3gcj n LEU 12 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 3gcj n LEU 12 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3gcj n LEU 12 CO 0.00 0.00 -0.03 0.68 -1.11 0.00 0.00 177.39 176.93 3gcj s VAL 13 N 0.00 0.06 0.25 1.96 -7.23 -1.26 -5.12 120.40 109.06 3gcj s VAL 13 Ca 0.00 -1.45 -0.03 0.00 -1.81 0.00 0.00 61.98 58.69 3gcj s VAL 13 Cb 0.00 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 3gcj s VAL 13 CO 0.00 -0.26 0.48 -0.75 -0.31 0.00 0.00 175.10 174.25 3gcj s LYS 14 N -3.99 3.58 -0.17 4.82 2.20 -1.26 -5.09 119.74 119.83 3gcj s LYS 14 Ca 0.19 -0.17 -0.09 0.00 -0.36 0.00 0.00 55.97 55.55 3gcj s LYS 14 Cb 0.03 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.57 3gcj s LYS 14 CO 0.02 0.30 0.13 0.00 -0.36 0.00 0.00 175.35 175.43 3gcj s ASP 16 N -0.15 6.17 0.00 0.00 2.15 -1.26 -4.94 116.67 118.64 3gcj s ASP 16 Ca 0.10 -1.27 0.13 0.00 0.43 0.00 0.00 52.55 51.94 3gcj s ASP 16 Cb -0.11 -2.22 0.58 0.00 -0.30 0.00 0.00 42.92 40.87 3gcj s ASP 16 CO 0.00 -0.74 1.37 -0.62 -0.17 0.00 0.00 175.17 175.01 3gcj n GLU 17 N 5.48 0.08 -0.17 4.34 1.02 -1.26 -2.61 120.64 127.52 3gcj n GLU 17 Ca -0.11 0.23 0.07 0.00 -0.02 0.00 0.00 57.16 57.33 3gcj n GLU 17 Cb 0.44 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.50 3gcj n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gcj n ASN 18 N -1.40 2.76 -4.74 1.62 4.13 -1.26 -5.02 115.26 111.35 3gcj n ASN 18 Ca 0.04 -2.72 -0.41 0.00 1.68 0.00 0.00 54.58 53.17 3gcj n ASN 18 Cb 0.13 -0.35 -0.03 0.00 -1.54 0.00 0.00 39.78 37.98 3gcj n ASN 18 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3gcj s SER 19 N -2.02 7.10 0.00 6.41 0.15 -1.07 -4.91 113.70 119.36 3gcj s SER 19 Ca 0.27 2.21 0.23 0.00 0.70 0.00 0.00 55.95 59.36 3gcj s SER 19 Cb 0.22 -2.61 1.08 0.00 -1.71 0.00 0.00 66.02 63.01 3gcj s SER 19 CO 0.06 -0.36 1.73 -0.81 1.20 0.00 0.00 173.24 175.06 3gcj n PRO 20 N 2.55 1.36 -4.67 5.44 -0.04 -1.26 -4.86 135.00 133.51 3gcj n PRO 20 Ca 0.04 -0.54 -0.30 0.00 -0.04 0.00 0.00 63.50 62.67 3gcj n PRO 20 Cb 0.45 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 3gcj n PRO 20 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3gcj s TYR 21 N -1.92 2.37 0.61 0.54 4.12 -1.26 -5.10 117.35 116.71 3gcj s TYR 21 Ca 0.34 -0.37 -0.18 0.00 0.02 0.00 0.00 57.07 56.89 3gcj s TYR 21 Cb 0.17 -1.36 -0.02 0.00 -1.52 0.00 0.00 41.96 39.23 3gcj s TYR 21 CO 0.27 0.23 1.16 1.03 0.02 0.00 0.00 175.55 178.26 3gcj s ARG 22 N -1.57 2.94 0.73 -0.62 0.52 -1.26 -5.02 118.95 114.67 3gcj s ARG 22 Ca 0.13 1.64 -0.12 0.00 -0.52 0.00 0.00 55.73 56.87 3gcj s ARG 22 Cb -0.10 -1.95 0.03 0.00 0.52 0.00 0.00 34.95 33.45 3gcj s ARG 22 CO 0.04 -1.18 1.12 0.95 0.02 0.00 0.00 175.30 176.25 3gcj s THR 23 N -1.89 3.13 0.19 0.02 -4.23 -1.26 -4.97 115.64 106.63 3gcj s THR 23 Ca 0.73 0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 61.59 3gcj s THR 23 Cb -0.26 -3.36 -0.07 0.00 1.34 0.00 0.00 72.50 70.15 3gcj s THR 23 CO 0.35 -0.48 1.49 0.40 -0.54 0.00 0.00 174.62 175.84 3gcj h ILE 24 N -0.75 1.35 0.00 2.99 1.08 -1.92 -3.27 117.51 117.00 3gcj h ILE 24 Ca -0.45 -1.95 0.00 0.00 -0.39 0.00 0.00 64.86 62.07 3gcj h ILE 24 Cb 1.27 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 3gcj h ILE 24 CO 0.64 0.59 -0.27 0.35 -0.69 0.00 0.00 178.15 178.77 3gcj n THR 25 N -3.90 0.08 0.00 -0.27 -2.24 -1.26 -4.47 114.28 102.23 3gcj n THR 25 Ca -0.03 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3gcj n THR 25 Cb 0.64 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3gcj n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gcj n GLY 26 N 1.47 2.44 3.68 3.38 0.00 -1.23 -0.89 105.19 114.04 3gcj n GLY 26 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3gcj n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gcj n ASP 27 N 0.00 1.15 0.00 1.61 8.00 -1.26 -3.21 116.55 122.84 3gcj n ASP 27 Ca 0.00 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.16 3gcj n ASP 27 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.60 3gcj n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gcj h ASN 29 N 0.00 -0.03 -3.39 0.00 -0.73 -1.73 -3.41 115.58 106.29 3gcj h ASN 29 Ca 0.00 -0.53 -0.59 0.00 1.87 0.00 0.00 56.30 57.05 3gcj h ASN 29 Cb 0.22 0.01 -0.10 0.00 0.27 0.00 0.00 38.32 38.72 3gcj h ASN 29 CO 0.00 0.52 -0.17 0.21 -0.37 0.00 0.00 177.43 177.62 3gcj s ASN 30 N -5.71 6.55 0.15 1.15 3.84 -1.26 -4.58 114.94 115.07 3gcj s ASN 30 Ca -0.16 0.65 -0.06 0.00 0.21 0.00 0.00 52.86 53.50 3gcj s ASN 30 Cb 0.01 -2.25 -0.01 0.00 -0.55 0.00 0.00 41.25 38.44 3gcj s ASN 30 CO 0.65 -0.04 1.40 0.03 -2.79 0.00 0.00 177.10 176.36 3gcj h ARG 31 N 7.03 0.60 0.01 0.43 3.08 -1.96 -2.99 114.38 120.59 3gcj h ARG 31 Ca -0.38 -0.46 -0.20 0.00 0.07 0.00 0.00 59.98 59.01 3gcj h ARG 31 Cb 1.17 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 3gcj h ARG 31 CO 0.74 1.08 -0.90 0.00 -1.07 0.00 0.00 179.97 179.83 3gcj h ARG 32 N 0.43 0.15 -2.75 0.04 3.08 -1.95 -3.39 114.38 109.98 3gcj h ARG 32 Ca -0.03 -0.17 -0.60 0.00 0.07 0.00 0.00 59.98 59.25 3gcj h ARG 32 Cb 1.29 0.05 -0.40 0.00 0.08 0.00 0.00 29.97 30.99 3gcj h ARG 32 CO 0.13 0.95 -0.80 0.45 -1.07 0.00 0.00 179.97 179.62 3gcj s SER 33 N -6.90 3.08 0.40 7.04 0.15 -1.24 -5.03 113.70 111.20 3gcj s SER 33 Ca -0.02 -2.73 0.17 0.00 0.70 0.00 0.00 55.95 54.07 3gcj s SER 33 Cb 0.10 -0.79 1.07 0.00 -1.71 0.00 0.00 66.02 64.69 3gcj s SER 33 CO 0.82 -0.24 1.79 -0.65 1.20 0.00 0.00 173.24 176.17 3gcj h PRO 34 N 6.42 0.41 -0.00 5.44 0.11 -1.73 -2.65 132.00 140.00 3gcj h PRO 34 Ca 0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3gcj h PRO 34 Cb 0.92 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3gcj h PRO 34 CO 0.42 0.27 -0.05 0.00 -0.21 0.00 0.00 178.00 178.44 3gcj n ALA 35 N -2.47 2.53 -1.78 -0.75 0.00 -1.26 -1.00 120.51 115.78 3gcj n ALA 35 Ca 0.24 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 3gcj n ALA 35 Cb 0.81 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3gcj n ALA 35 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gcj s LEU 36 N -2.78 3.87 0.00 0.00 2.96 -1.00 -1.83 118.68 119.89 3gcj s LEU 36 Ca 0.21 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 3gcj s LEU 36 Cb 0.19 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.36 3gcj s LEU 36 CO 0.51 -1.49 0.00 0.61 -1.32 0.00 0.00 176.35 174.66 3gcj n GLY 37 N 5.08 0.84 3.80 7.98 0.00 -1.26 -4.59 105.19 117.03 3gcj n GLY 37 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 3gcj n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gcj s ALA 38 N -2.60 2.57 0.69 4.61 0.00 -0.76 -1.48 121.76 124.79 3gcj s ALA 38 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 3gcj s ALA 38 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3gcj s ALA 38 CO 0.00 -1.23 1.06 0.00 0.00 0.00 0.00 175.76 175.59 3gcj s ALA 39 N -2.72 2.75 -1.40 0.00 0.00 -0.07 -4.08 121.76 116.25 3gcj s ALA 39 Ca 0.62 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 3gcj s ALA 39 Cb -0.16 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3gcj s ALA 39 CO 0.48 -1.14 0.53 0.09 0.00 0.00 0.00 175.76 175.72 3gcj n ASN 40 N -3.06 -5.66 -4.50 0.00 3.02 0.38 -4.91 115.26 100.52 3gcj n ASN 40 Ca 0.07 -0.25 -0.24 0.00 -0.03 0.00 0.00 54.58 54.13 3gcj n ASN 40 Cb 0.54 -4.50 -0.11 0.00 -0.61 0.00 0.00 39.78 35.11 3gcj n ASN 40 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3gcj s ARG 41 N -5.56 1.74 0.53 3.52 1.81 -1.23 -4.07 118.95 115.69 3gcj s ARG 41 Ca 0.26 -1.96 -0.20 0.00 -1.72 0.00 0.00 55.73 52.11 3gcj s ARG 41 Cb -0.12 -1.15 -0.06 0.00 -0.45 0.00 0.00 34.95 33.17 3gcj s ARG 41 CO 0.33 -0.12 1.12 0.00 -0.68 0.00 0.00 175.30 175.95 3gcj s ALA 42 N -3.08 2.74 0.39 2.13 0.00 -1.26 -1.21 121.76 121.47 3gcj s ALA 42 Ca 0.35 0.82 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 3gcj s ALA 42 Cb 0.09 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 3gcj s ALA 42 CO 0.16 -0.72 1.16 -0.51 0.00 0.00 0.00 175.76 175.86 3gcj s LEU 43 N -3.69 4.22 0.63 0.00 1.43 -0.77 -4.73 118.68 115.76 3gcj s LEU 43 Ca 0.71 2.34 -0.16 0.00 -1.03 0.00 0.00 54.13 55.99 3gcj s LEU 43 Cb -0.24 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 41.97 3gcj s LEU 43 CO 0.27 -0.63 1.10 0.00 0.23 0.00 0.00 176.35 177.32 3gcj s ALA 44 N -1.41 2.57 -0.28 4.21 0.00 -0.80 -4.67 121.76 121.39 3gcj s ALA 44 Ca 0.56 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 53.04 3gcj s ALA 44 Cb -0.31 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.55 3gcj s ALA 44 CO 0.39 -1.08 -0.02 1.03 0.00 0.00 0.00 175.76 176.07 3gcj s ARG 45 N -3.98 2.67 0.22 0.00 1.81 -1.26 -1.07 118.95 117.34 3gcj s ARG 45 Ca 0.67 -1.10 0.11 0.00 -1.72 0.00 0.00 55.73 53.69 3gcj s ARG 45 Cb -0.20 -3.11 0.03 0.00 -0.45 0.00 0.00 34.95 31.22 3gcj s ARG 45 CO 0.38 -0.51 1.41 -1.49 -0.68 0.00 0.00 175.30 174.42 3gcj h TRP 46 N 8.03 0.00 -3.89 -0.53 6.55 -1.98 -3.45 115.95 120.67 3gcj h TRP 46 Ca -0.27 0.00 -0.25 0.00 0.95 0.00 0.00 58.89 59.32 3gcj h TRP 46 Cb 1.09 0.00 -0.18 0.00 -0.86 0.00 0.00 29.16 29.21 3gcj h TRP 46 CO 0.60 0.72 -0.72 -0.51 -1.05 0.00 0.00 178.44 177.48 3gcj s LEU 47 N -6.73 2.38 0.48 -4.49 1.43 -1.26 -5.14 118.68 105.36 3gcj s LEU 47 Ca 0.02 -0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 52.11 3gcj s LEU 47 Cb 0.09 -0.13 -0.07 0.00 0.03 0.00 0.00 46.19 46.11 3gcj s LEU 47 CO 0.77 -0.33 1.37 -2.65 0.23 0.00 0.00 176.35 175.75 3gcj n PRO 48 N 0.75 1.97 -2.09 1.29 -0.02 -1.26 -4.95 135.00 130.68 3gcj n PRO 48 Ca -0.18 0.71 -0.37 0.00 -2.02 0.00 0.00 63.50 61.65 3gcj n PRO 48 Cb 0.58 -2.56 0.02 0.00 -0.02 0.00 0.00 33.50 31.51 3gcj n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gcj s ALA 49 N -1.23 2.76 -0.33 3.55 0.00 -1.26 -4.72 121.76 120.52 3gcj s ALA 49 Ca 0.65 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.66 3gcj s ALA 49 Cb -0.45 -3.44 0.10 0.00 0.00 0.00 0.00 23.12 19.34 3gcj s ALA 49 CO 0.54 -0.97 0.05 -1.21 0.00 0.00 0.00 175.76 174.17 3gcj s GLU 50 N -3.04 1.41 0.25 0.00 2.02 0.65 -5.01 118.70 114.98 3gcj s GLU 50 Ca 0.71 -1.74 0.08 0.00 0.02 0.00 0.00 54.97 54.05 3gcj s GLU 50 Cb -0.31 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 3gcj s GLU 50 CO 0.35 -0.92 0.05 0.71 0.02 0.00 0.00 175.26 175.47 3gcj s TYR 51 N 1.01 2.84 0.26 1.61 1.51 -1.26 -4.29 117.35 119.03 3gcj s TYR 51 Ca 0.10 -0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 55.93 3gcj s TYR 51 Cb -0.19 -1.28 0.31 0.00 -0.11 0.00 0.00 41.96 40.69 3gcj s TYR 51 CO -0.10 0.58 1.94 1.49 -1.11 0.00 0.00 175.55 178.35 3gcj h GLU 52 N 1.89 1.26 -0.36 -0.62 4.81 0.89 -2.45 114.58 119.99 3gcj h GLU 52 Ca -0.46 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 3gcj h GLU 52 Cb 1.24 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3gcj h GLU 52 CO 0.60 0.83 0.02 -0.40 -0.73 0.00 0.00 179.01 179.34 3gcj n ASP 53 N -4.39 4.14 0.00 1.04 5.75 -1.25 -4.95 116.55 116.89 3gcj n ASP 53 Ca 0.11 -3.09 0.00 0.00 -0.01 0.00 0.00 54.79 51.80 3gcj n ASP 53 Cb 0.02 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 3gcj n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gcj n GLY 54 N -0.37 1.88 0.32 6.12 0.00 -0.92 -4.67 105.19 107.55 3gcj n GLY 54 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3gcj n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gcj n LEU 55 N 0.00 1.91 0.00 0.99 4.77 -1.26 -4.63 117.00 118.78 3gcj n LEU 55 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3gcj n LEU 55 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gcj n LEU 55 CO 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 177.39 176.36 3gcj n ALA 56 N -2.56 0.25 -2.47 -1.18 0.00 -1.26 -0.99 120.51 112.29 3gcj n ALA 56 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3gcj n ALA 56 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 3gcj n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gcj s LEU 57 N -0.40 4.35 0.67 0.00 2.01 -1.26 -4.91 118.68 119.14 3gcj s LEU 57 Ca 0.00 1.92 -0.12 0.00 0.01 0.00 0.00 54.13 55.94 3gcj s LEU 57 Cb 0.00 -3.57 -0.00 0.00 0.01 0.00 0.00 46.19 42.62 3gcj s LEU 57 CO 0.00 -0.46 1.06 -2.16 1.01 0.00 0.00 176.35 175.80 3gcj s PRO 58 N 1.28 3.02 0.18 1.29 0.04 -1.26 0.13 135.00 139.69 3gcj s PRO 58 Ca 0.57 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.34 3gcj s PRO 58 Cb -0.27 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 3gcj s PRO 58 CO 0.28 -1.03 1.39 -0.06 0.04 0.00 0.00 177.00 177.61 3gcj s PHE 59 N -2.86 3.18 0.00 0.56 0.40 -1.26 -2.30 117.98 115.70 3gcj s PHE 59 Ca 0.60 1.03 0.00 0.00 -0.60 0.00 0.00 56.93 57.96 3gcj s PHE 59 Cb -0.15 -3.71 0.00 0.00 0.51 0.00 0.00 43.02 39.67 3gcj s PHE 59 CO 0.50 -2.37 0.00 0.41 0.70 0.00 0.00 175.22 174.45 3gcj n GLY 60 N 2.83 0.38 0.07 4.36 0.00 -1.26 -4.93 105.19 106.63 3gcj n GLY 60 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 3gcj n GLY 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3gcj h TRP 61 N 0.00 0.07 -3.22 1.61 2.91 -1.84 -3.38 115.95 112.09 3gcj h TRP 61 Ca 0.00 -0.02 -0.74 0.00 1.13 0.00 0.00 58.89 59.26 3gcj h TRP 61 Cb 0.00 -0.02 -0.25 0.00 -0.51 0.00 0.00 29.16 28.38 3gcj h TRP 61 CO 0.00 0.47 -0.31 0.99 -1.03 0.00 0.00 178.44 178.56 3gcj s THR 62 N -4.50 4.91 0.60 2.65 2.01 -1.26 -4.95 115.64 115.09 3gcj s THR 62 Ca -0.15 -1.44 0.29 0.00 0.31 0.00 0.00 61.69 60.70 3gcj s THR 62 Cb 0.03 -4.09 0.39 0.00 0.01 0.00 0.00 72.50 68.83 3gcj s THR 62 CO 0.68 -0.74 1.75 1.56 -0.69 0.00 0.00 174.62 177.19 3gcj h GLN 63 N 8.72 0.00 0.00 4.92 7.50 -2.00 0.18 115.11 134.42 3gcj h GLN 63 Ca -0.27 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.88 3gcj h GLN 63 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.63 3gcj h GLN 63 CO 0.93 0.00 -0.24 0.07 -1.50 0.00 0.00 178.83 178.09 3gcj h ARG 64 N 0.00 0.00 -6.47 1.46 0.11 -1.96 -3.45 114.38 104.07 3gcj h ARG 64 Ca 0.29 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.83 3gcj h ARG 64 Cb 1.62 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.66 3gcj h ARG 64 CO -0.00 0.00 0.08 0.15 0.10 0.00 0.00 179.97 180.29 3gcj s LYS 65 N -3.19 4.27 0.48 0.08 -0.14 0.62 -5.08 119.74 116.77 3gcj s LYS 65 Ca 0.07 0.86 0.06 0.00 -1.36 0.00 0.00 55.97 55.60 3gcj s LYS 65 Cb 0.09 -3.02 -0.00 0.00 -1.68 0.00 0.00 37.83 33.21 3gcj s LYS 65 CO 0.67 0.48 0.29 0.95 -0.76 0.00 0.00 175.35 176.99 3gcj s THR 66 N -1.37 1.97 -0.25 2.17 -4.23 -1.26 -4.80 115.64 107.86 3gcj s THR 66 Ca 0.39 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 3gcj s THR 66 Cb -0.18 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.17 3gcj s THR 66 CO 0.21 0.00 -0.09 -0.60 -0.54 0.00 0.00 174.62 173.61 3gcj s ARG 67 N -4.10 1.97 -1.63 3.99 3.52 0.65 -4.68 118.95 118.67 3gcj s ARG 67 Ca 0.36 -1.19 -0.01 0.00 -0.13 0.00 0.00 55.73 54.76 3gcj s ARG 67 Cb -0.00 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 3gcj s ARG 67 CO 0.21 -0.58 0.12 0.09 -0.81 0.00 0.00 175.30 174.33 3gcj n ASN 68 N 4.54 -5.63 0.00 -2.12 3.02 -1.26 -2.29 115.26 111.52 3gcj n ASN 68 Ca -0.13 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3gcj n ASN 68 Cb 0.43 -4.67 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 3gcj n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gcj n GLY 69 N -1.08 0.32 3.24 7.41 0.00 -1.26 -5.07 105.19 108.75 3gcj n GLY 69 Ca -0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 3gcj n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gcj s PHE 70 N -2.11 1.36 0.33 1.61 0.40 -0.97 -4.99 117.98 113.62 3gcj s PHE 70 Ca 0.00 -0.59 -0.28 0.00 -0.60 0.00 0.00 56.93 55.46 3gcj s PHE 70 Cb 0.00 -0.71 -0.09 0.00 0.51 0.00 0.00 43.02 42.73 3gcj s PHE 70 CO 0.00 0.13 1.11 1.03 0.70 0.00 0.00 175.22 178.19 3gcj s ARG 71 N -2.86 4.44 -0.01 0.44 0.52 -1.26 -0.25 118.95 119.96 3gcj s ARG 71 Ca 0.10 1.77 -0.23 0.00 -0.52 0.00 0.00 55.73 56.85 3gcj s ARG 71 Cb -0.04 -2.97 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 3gcj s ARG 71 CO 0.03 0.04 0.69 0.14 0.02 0.00 0.00 175.30 176.21 3gcj s VAL 72 N -1.30 4.89 0.65 3.52 -7.23 -1.26 -4.91 120.40 114.76 3gcj s VAL 72 Ca 0.49 1.44 -0.17 0.00 -1.81 0.00 0.00 61.98 61.93 3gcj s VAL 72 Cb -0.30 -4.03 -0.01 0.00 0.56 0.00 0.00 36.38 32.60 3gcj s VAL 72 CO 0.38 0.35 1.24 -2.16 -0.31 0.00 0.00 175.10 174.60 3gcj s PRO 73 N 0.17 2.58 0.36 4.82 0.04 -1.26 -4.94 135.00 136.77 3gcj s PRO 73 Ca 0.36 1.89 -0.28 0.00 0.04 0.00 0.00 61.00 63.00 3gcj s PRO 73 Cb -0.19 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 3gcj s PRO 73 CO 0.19 -1.52 1.46 -0.51 0.04 0.00 0.00 177.00 176.66 3gcj s LEU 74 N -4.49 4.34 0.17 -3.56 1.43 -1.26 -4.91 118.68 110.40 3gcj s LEU 74 Ca 0.78 2.98 -0.14 0.00 -1.03 0.00 0.00 54.13 56.73 3gcj s LEU 74 Cb -0.32 -3.66 0.10 0.00 0.03 0.00 0.00 46.19 42.33 3gcj s LEU 74 CO 0.39 -0.82 1.79 0.00 0.23 0.00 0.00 176.35 177.94 3gcj h ALA 75 N 3.20 0.61 0.00 4.21 0.00 -1.89 -2.30 119.26 123.09 3gcj h ALA 75 Ca -0.50 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3gcj h ALA 75 Cb 1.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3gcj h ALA 75 CO 0.65 -0.08 -0.19 -0.09 0.00 0.00 0.00 179.25 179.54 3gcj h ARG 76 N 0.51 0.00 -0.07 0.00 9.65 -1.85 -1.57 114.38 121.04 3gcj h ARG 76 Ca 0.20 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.97 3gcj h ARG 76 Cb 0.08 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.66 3gcj h ARG 76 CO -0.12 0.19 -0.40 1.49 2.80 0.00 0.00 179.97 183.93 3gcj h GLU 77 N 0.00 0.40 -0.94 0.20 4.81 -1.74 -0.85 114.58 116.46 3gcj h GLU 77 Ca -0.00 -0.33 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3gcj h GLU 77 Cb 0.45 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.85 3gcj h GLU 77 CO 0.03 0.97 0.61 0.28 -0.73 0.00 0.00 179.01 180.17 3gcj h VAL 78 N -0.07 1.11 0.03 0.32 2.07 -1.22 0.47 116.25 118.96 3gcj h VAL 78 Ca -0.03 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3gcj h VAL 78 Cb 1.05 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3gcj h VAL 78 CO 0.08 0.21 -0.03 -1.28 0.02 0.00 0.00 177.57 176.57 3gcj h SER 79 N 1.13 -0.08 -0.64 0.57 0.87 -1.13 -2.28 113.55 111.98 3gcj h SER 79 Ca 0.39 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.89 3gcj h SER 79 Cb 0.11 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 3gcj h SER 79 CO -0.14 -0.05 0.12 0.78 -0.53 0.00 0.00 176.83 177.02 3gcj h ASN 80 N -0.07 1.00 1.36 6.23 2.35 -0.22 -1.07 115.58 125.16 3gcj h ASN 80 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3gcj h ASN 80 Cb 0.07 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.18 3gcj h ASN 80 CO -0.01 1.00 -0.39 0.11 -1.65 0.00 0.00 177.43 176.48 3gcj h LYS 81 N 0.97 0.00 0.00 0.81 1.57 -0.89 -3.40 116.57 115.63 3gcj h LYS 81 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3gcj h LYS 81 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3gcj h LYS 81 CO 0.01 0.00 -0.45 -0.89 -0.57 0.00 0.00 179.45 177.55 3gcj n ILE 82 N -2.57 0.00 0.02 1.86 5.41 -0.86 -4.91 119.36 118.31 3gcj n ILE 82 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.77 3gcj n ILE 82 Cb 0.49 -0.76 -0.10 0.00 -0.71 0.00 0.00 39.64 38.56 3gcj n ILE 82 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3gcj n VAL 83 N -2.52 1.24 -2.29 1.39 0.31 -0.45 -4.77 118.33 111.24 3gcj n VAL 83 Ca 0.00 -0.71 -0.28 0.00 -0.01 0.00 0.00 64.34 63.35 3gcj n VAL 83 Cb 0.22 -0.76 0.03 0.00 -0.91 0.00 0.00 33.84 32.42 3gcj n VAL 83 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3gcj s GLY 84 N -4.86 1.60 0.11 2.92 0.00 -0.92 -2.42 107.32 103.76 3gcj s GLY 84 Ca -0.03 -0.59 -0.26 0.00 0.00 0.00 0.00 44.72 43.84 3gcj s GLY 84 CO 0.82 -0.30 0.89 -2.52 0.00 0.00 0.00 173.10 171.99 3gcj s TYR 85 N -3.05 -0.23 -0.07 1.90 -0.85 -1.26 -4.79 117.35 108.99 3gcj s TYR 85 Ca 0.54 -0.02 0.06 0.00 -0.52 0.00 0.00 57.07 57.12 3gcj s TYR 85 Cb -0.11 0.61 -0.08 0.00 0.38 0.00 0.00 41.96 42.76 3gcj s TYR 85 CO 0.47 -0.78 0.02 1.28 -1.52 0.00 0.00 175.55 175.02 3gcj n LEU 86 N -0.39 0.20 -4.43 -3.49 4.77 -1.26 -4.69 117.00 107.71 3gcj n LEU 86 Ca -0.08 -0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.46 3gcj n LEU 86 Cb 0.61 0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.77 3gcj n LEU 86 CO 0.13 0.20 0.31 -0.62 -1.33 0.00 0.00 177.39 176.07 3gcj s ASP 87 N -3.89 6.21 0.00 -1.43 2.15 -1.26 -4.92 116.67 113.53 3gcj s ASP 87 Ca -0.04 -1.02 0.19 0.00 0.43 0.00 0.00 52.55 52.10 3gcj s ASP 87 Cb 0.02 -2.28 1.03 0.00 -0.30 0.00 0.00 42.92 41.39 3gcj s ASP 87 CO 0.27 -0.89 1.54 -0.62 -0.17 0.00 0.00 175.17 175.30 3gcj n GLU 88 N 6.08 0.43 -2.47 4.34 -0.58 -1.26 -4.81 120.64 122.37 3gcj n GLU 88 Ca -0.08 0.06 -0.41 0.00 -0.42 0.00 0.00 57.16 56.31 3gcj n GLU 88 Cb 0.45 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.78 3gcj n GLU 88 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3gcj s GLU 89 N -2.29 4.52 0.00 3.49 2.12 -1.26 -3.29 118.70 122.00 3gcj s GLU 89 Ca 0.23 1.75 0.00 0.00 0.36 0.00 0.00 54.97 57.30 3gcj s GLU 89 Cb 0.13 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.21 3gcj s GLU 89 CO 0.25 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.31 3gcj n GLY 90 N 2.50 0.46 0.01 -1.50 0.00 -1.26 -4.92 105.19 100.48 3gcj n GLY 90 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3gcj n GLY 90 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3gcj n VAL 91 N -2.76 0.00 -2.66 1.61 3.14 -1.21 -4.96 118.33 111.50 3gcj n VAL 91 Ca 0.00 -0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.00 3gcj n VAL 91 Cb 0.07 0.33 -0.05 0.00 -1.06 0.00 0.00 33.84 33.13 3gcj n VAL 91 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3gcj s LEU 92 N -2.99 4.30 -0.35 6.55 1.43 -1.26 -0.74 118.68 125.63 3gcj s LEU 92 Ca 0.11 1.96 -0.29 0.00 -1.03 0.00 0.00 54.13 54.88 3gcj s LEU 92 Cb 0.17 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 42.38 3gcj s LEU 92 CO 0.71 -0.22 1.26 -0.62 0.23 0.00 0.00 176.35 177.71 3gcj s ASP 93 N -1.51 6.65 0.20 2.29 -1.08 0.16 -4.56 116.67 118.83 3gcj s ASP 93 Ca 0.52 1.01 0.19 0.00 -0.52 0.00 0.00 52.55 53.75 3gcj s ASP 93 Cb -0.21 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 39.57 3gcj s ASP 93 CO 0.27 -1.13 1.58 0.00 0.52 0.00 0.00 175.17 176.41 3gcj n GLN 94 N 7.45 0.13 -1.97 4.34 1.13 -1.26 -3.51 117.38 123.69 3gcj n GLN 94 Ca 0.14 0.46 -0.00 0.00 -1.94 0.00 0.00 57.00 55.65 3gcj n GLN 94 Cb 0.47 -1.79 0.05 0.00 0.11 0.00 0.00 30.24 29.08 3gcj n GLN 94 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3gcj n ASN 95 N -2.04 1.75 -3.69 1.08 5.15 -1.26 -4.60 115.26 111.65 3gcj n ASN 95 Ca 0.01 -2.43 -0.13 0.00 -0.60 0.00 0.00 54.58 51.43 3gcj n ASN 95 Cb 0.14 -0.40 -0.14 0.00 -0.53 0.00 0.00 39.78 38.86 3gcj n ASN 95 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3gcj s ARG 96 N -2.24 0.15 0.82 1.20 1.81 -1.23 -3.64 118.95 115.82 3gcj s ARG 96 Ca 0.34 0.62 -0.12 0.00 -1.72 0.00 0.00 55.73 54.85 3gcj s ARG 96 Cb 0.36 -0.10 0.08 0.00 -0.45 0.00 0.00 34.95 34.84 3gcj s ARG 96 CO -0.08 -0.23 1.12 -1.54 -0.68 0.00 0.00 175.30 173.88 3gcj s SER 97 N 1.89 4.34 0.56 0.23 1.04 -0.31 -1.69 113.70 119.76 3gcj s SER 97 Ca -0.03 1.09 0.24 0.00 0.48 0.00 0.00 55.95 57.72 3gcj s SER 97 Cb -0.11 -1.75 1.57 0.00 0.10 0.00 0.00 66.02 65.83 3gcj s SER 97 CO -0.08 -2.04 2.20 0.25 0.98 0.00 0.00 173.24 174.55 3gcj h LEU 98 N -1.14 0.00 -1.86 2.42 6.46 -0.63 -0.51 115.31 120.05 3gcj h LEU 98 Ca -0.48 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.27 3gcj h LEU 98 Cb 1.30 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.22 3gcj h LEU 98 CO 0.62 0.00 -0.09 0.25 -0.62 0.00 0.00 178.44 178.60 3gcj h LEU 99 N 0.00 0.00 -0.47 2.25 5.85 -1.72 -2.32 115.31 118.90 3gcj h LEU 99 Ca 0.01 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3gcj h LEU 99 Cb 0.05 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3gcj h LEU 99 CO -0.00 0.09 0.26 0.15 -0.34 0.00 0.00 178.44 178.60 3gcj h PHE 100 N 0.00 0.49 0.05 1.25 3.57 -1.33 0.29 116.94 121.27 3gcj h PHE 100 Ca -0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3gcj h PHE 100 Cb 0.16 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3gcj h PHE 100 CO 0.00 0.27 -0.02 1.98 -2.23 0.00 0.00 178.31 178.30 3gcj h MET 101 N 0.52 -0.07 -0.62 1.11 4.05 -1.56 -3.15 114.93 115.22 3gcj h MET 101 Ca 0.20 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.65 3gcj h MET 101 Cb 0.06 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 3gcj h MET 101 CO -0.11 0.24 0.41 0.37 0.23 0.00 0.00 176.91 178.05 3gcj h GLN 102 N -0.37 0.72 -0.33 0.39 5.75 -1.20 -2.01 115.11 118.07 3gcj h GLN 102 Ca -0.01 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.33 3gcj h GLN 102 Cb 0.33 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 3gcj h GLN 102 CO 0.01 0.48 -0.28 2.35 -2.65 0.00 0.00 178.83 178.73 3gcj h TRP 103 N 0.74 0.79 -0.36 3.99 2.91 -0.98 -2.64 115.95 120.40 3gcj h TRP 103 Ca 0.25 -0.19 0.03 0.00 1.13 0.00 0.00 58.89 60.10 3gcj h TRP 103 Cb 0.06 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.50 3gcj h TRP 103 CO -0.00 0.89 0.17 0.78 -1.03 0.00 0.00 178.44 179.25 3gcj h GLY 104 N 0.99 0.48 1.36 2.65 0.00 -1.32 -0.28 103.07 106.94 3gcj h GLY 104 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3gcj h GLY 104 CO 0.06 0.09 0.37 -1.61 0.00 0.00 0.00 176.54 175.45 3gcj h GLN 105 N 0.36 0.85 -0.10 4.80 4.15 -1.36 0.05 115.11 123.86 3gcj h GLN 105 Ca 0.15 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 3gcj h GLN 105 Cb 0.07 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 3gcj h GLN 105 CO -0.11 0.61 0.03 0.82 -1.93 0.00 0.00 178.83 178.24 3gcj h ILE 106 N 0.86 1.17 -0.72 2.39 5.03 -0.96 -1.88 117.51 123.40 3gcj h ILE 106 Ca 0.23 -0.50 -0.05 0.00 -0.12 0.00 0.00 64.86 64.41 3gcj h ILE 106 Cb -0.02 1.32 -0.03 0.00 -3.03 0.00 0.00 36.82 35.06 3gcj h ILE 106 CO -0.04 0.15 0.25 0.58 -0.68 0.00 0.00 178.15 178.40 3gcj h VAL 107 N -0.02 1.26 -0.70 1.67 2.07 -0.80 -2.25 116.25 117.46 3gcj h VAL 107 Ca 0.03 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3gcj h VAL 107 Cb 0.20 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3gcj h VAL 107 CO -0.00 0.34 0.45 -0.78 0.02 0.00 0.00 177.57 177.60 3gcj h ASP 108 N 1.04 0.82 1.52 0.57 1.82 -0.84 -2.46 116.42 118.90 3gcj h ASP 108 Ca 0.23 -0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 56.76 3gcj h ASP 108 Cb 0.27 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 3gcj h ASP 108 CO -0.01 0.61 -0.39 0.45 -1.61 0.00 0.00 179.24 178.29 3gcj h HIS 109 N 0.96 0.00 -0.09 0.28 3.86 -1.12 -1.78 115.15 117.25 3gcj h HIS 109 Ca 0.26 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.28 3gcj h HIS 109 Cb -0.08 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 3gcj h HIS 109 CO 0.00 0.39 -0.71 0.22 0.86 0.00 0.00 177.93 178.69 3gcj h ASP 110 N 0.00 0.52 0.28 2.45 1.82 -1.08 -3.38 116.42 117.03 3gcj h ASP 110 Ca -0.00 -0.33 -0.34 0.00 -0.39 0.00 0.00 57.03 55.97 3gcj h ASP 110 Cb 1.25 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 41.08 3gcj h ASP 110 CO 0.05 1.07 -1.85 -0.07 -1.61 0.00 0.00 179.24 176.83 3gcj h LEU 111 N 0.31 0.30 -7.58 2.28 3.38 -1.32 -3.40 115.31 109.27 3gcj h LEU 111 Ca -0.03 -0.62 -0.15 0.00 0.09 0.00 0.00 57.88 57.17 3gcj h LEU 111 Cb 1.28 -0.10 -0.23 0.00 0.09 0.00 0.00 40.66 41.70 3gcj h LEU 111 CO 0.12 1.55 -0.43 1.51 0.09 0.00 0.00 178.44 181.29 3gcj s ASP 112 N -6.76 -0.15 -0.28 -0.43 -4.77 -0.68 -4.32 116.67 99.28 3gcj s ASP 112 Ca -0.15 0.19 -0.04 0.00 -3.30 0.00 0.00 52.55 49.25 3gcj s ASP 112 Cb 0.07 0.36 0.16 0.00 -1.09 0.00 0.00 42.92 42.42 3gcj s ASP 112 CO 0.80 -0.24 0.55 0.12 0.70 0.00 0.00 175.17 177.10 3gcj s PHE 113 N -0.61 -1.32 -0.60 2.11 5.36 -1.26 -4.57 117.98 117.09 3gcj s PHE 113 Ca -0.07 1.66 -0.04 0.00 -0.96 0.00 0.00 56.93 57.52 3gcj s PHE 113 Cb -0.04 0.49 0.16 0.00 -0.34 0.00 0.00 43.02 43.28 3gcj s PHE 113 CO 0.01 -0.76 0.42 0.00 -1.46 0.00 0.00 175.22 173.44 3gcj s ALA 114 N 2.78 3.55 0.56 11.12 0.00 -1.25 0.11 121.76 138.63 3gcj s ALA 114 Ca 0.11 -3.13 -0.19 0.00 0.00 0.00 0.00 51.96 48.75 3gcj s ALA 114 Cb -0.14 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3gcj s ALA 114 CO -0.19 -2.06 1.14 -1.25 0.00 0.00 0.00 175.76 173.40 3gcj s PRO 115 N 0.19 3.28 0.87 0.00 0.04 -1.26 -4.76 135.00 133.35 3gcj s PRO 115 Ca 0.15 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 3gcj s PRO 115 Cb -0.20 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.46 3gcj s PRO 115 CO -0.04 -0.91 1.09 -1.21 0.04 0.00 0.00 177.00 175.97 3gcj s GLU 116 N -3.33 1.46 0.16 4.56 2.02 -1.26 -0.97 118.70 121.34 3gcj s GLU 116 Ca 0.73 1.04 -0.30 0.00 0.02 0.00 0.00 54.97 56.46 3gcj s GLU 116 Cb -0.25 -1.82 -0.07 0.00 0.10 0.00 0.00 34.13 32.10 3gcj s GLU 116 CO 0.28 -2.16 1.12 0.95 0.02 0.00 0.00 175.26 175.47 3gcj s THR 117 N -2.86 3.89 0.00 3.63 -4.23 -0.66 -4.44 115.64 110.97 3gcj s THR 117 Ca 0.63 1.58 0.00 0.00 -1.18 0.00 0.00 61.69 62.72 3gcj s THR 117 Cb -0.19 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 69.64 3gcj s THR 117 CO 0.57 0.25 0.00 1.21 -0.54 0.00 0.00 174.62 176.11 3gcj n GLU 118 N 2.63 0.00 -3.87 3.99 2.13 -1.26 -4.95 120.64 119.31 3gcj n GLU 118 Ca 0.04 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.47 3gcj n GLU 118 Cb 0.46 -0.08 0.03 0.00 0.27 0.00 0.00 31.44 32.12 3gcj n GLU 118 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3gcj n LEU 119 N -0.31 -1.57 0.00 4.31 4.32 -1.26 -4.89 117.00 117.60 3gcj n LEU 119 Ca 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 56.01 54.84 3gcj n LEU 119 Cb 0.00 -1.99 0.00 0.00 -1.62 0.00 0.00 43.42 39.81 3gcj n LEU 119 CO 0.00 0.62 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 3gcj n GLY 120 N -1.89 2.36 3.04 -0.72 0.00 -1.26 -5.04 105.19 101.68 3gcj n GLY 120 Ca -0.11 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 3gcj n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gcj s SER 121 N 0.00 3.59 0.00 1.61 1.04 -1.26 -4.28 113.70 114.40 3gcj s SER 121 Ca 0.00 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.47 3gcj s SER 121 Cb 0.00 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.76 3gcj s SER 121 CO 0.00 -0.13 0.00 0.59 0.98 0.00 0.00 173.24 174.68 3gcj n ASN 122 N 4.61 0.00 -4.06 7.02 5.03 -1.26 -5.11 115.26 121.49 3gcj n ASN 122 Ca -0.16 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.07 3gcj n ASN 122 Cb 0.46 0.00 -0.16 0.00 -1.02 0.00 0.00 39.78 39.07 3gcj n ASN 122 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3gcj s GLU 123 N 0.14 1.27 0.00 3.52 2.56 -1.26 -5.01 118.70 119.92 3gcj s GLU 123 Ca 0.00 -0.43 0.25 0.00 0.00 0.00 0.00 54.97 54.79 3gcj s GLU 123 Cb 0.00 -1.15 1.44 0.00 2.00 0.00 0.00 34.13 36.42 3gcj s GLU 123 CO 0.00 0.17 1.84 0.72 -0.56 0.00 0.00 175.26 177.43 3gcj n HIS 124 N 3.21 0.00 -0.16 5.30 8.25 -1.26 -3.30 115.22 127.26 3gcj n HIS 124 Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.18 3gcj n HIS 124 Cb 0.54 -0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.59 3gcj n HIS 124 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3gcj h SER 125 N 0.00 0.79 0.72 0.41 0.87 -1.95 2.06 113.55 116.45 3gcj h SER 125 Ca 0.00 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.20 3gcj h SER 125 Cb 0.04 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3gcj h SER 125 CO 0.00 0.90 -0.28 0.11 -0.53 0.00 0.00 176.83 177.03 3gcj h LYS 126 N 0.65 0.00 0.00 2.24 1.57 -1.86 -2.14 116.57 117.03 3gcj h LYS 126 Ca 0.13 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3gcj h LYS 126 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3gcj h LYS 126 CO 0.02 0.28 -0.25 1.15 -0.57 0.00 0.00 179.45 180.09 3gcj h THR 127 N 0.00 0.98 -0.00 -0.16 2.02 -1.56 -3.07 112.91 111.12 3gcj h THR 127 Ca -0.00 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.36 3gcj h THR 127 Cb 0.72 1.94 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 3gcj h THR 127 CO 0.04 0.33 0.06 -0.61 0.37 0.00 0.00 175.52 175.71 3gcj h GLN 128 N -1.00 0.00 0.04 6.66 4.15 0.34 0.33 115.11 125.63 3gcj h GLN 128 Ca -0.06 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.12 3gcj h GLN 128 Cb 0.72 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 3gcj h GLN 128 CO -0.03 0.00 -1.34 0.00 -1.93 0.00 0.00 178.83 175.53 3gcj h GLU 130 N -0.70 0.54 0.07 0.00 4.81 -1.38 -2.82 114.58 115.10 3gcj h GLU 130 Ca -0.33 -0.86 -0.21 0.00 -0.13 0.00 0.00 59.36 57.82 3gcj h GLU 130 Cb 1.49 0.31 0.02 0.00 0.63 0.00 0.00 28.75 31.20 3gcj h GLU 130 CO -0.10 1.41 -0.87 0.93 -0.73 0.00 0.00 179.01 179.64 3gcj h GLU 131 N 0.18 0.48 -0.00 1.92 3.07 -0.57 -3.39 114.58 116.26 3gcj h GLU 131 Ca -0.23 -0.60 0.00 0.00 -0.50 0.00 0.00 59.36 58.03 3gcj h GLU 131 Cb 2.09 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 30.19 3gcj h GLU 131 CO 0.26 1.24 -0.49 0.66 -1.40 0.00 0.00 179.01 179.27 3gcj n TYR 132 N -4.04 0.00 -3.31 4.33 4.02 -1.22 -5.00 117.16 111.93 3gcj n TYR 132 Ca -0.12 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.56 3gcj n TYR 132 Cb 0.82 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 40.19 3gcj n TYR 132 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gcj s ILE 134 N -3.23 4.96 0.38 0.00 1.01 -1.20 -4.92 121.20 118.20 3gcj s ILE 134 Ca 0.45 -0.54 -0.26 0.00 0.00 0.00 0.00 60.65 60.29 3gcj s ILE 134 Cb -0.20 -4.23 -0.11 0.00 0.01 0.00 0.00 42.46 37.93 3gcj s ILE 134 CO 0.55 -0.71 1.23 1.67 0.00 0.00 0.00 174.94 177.69 3gcj n GLN 135 N 5.93 1.91 0.00 2.79 7.27 -1.26 -4.75 117.38 129.27 3gcj n GLN 135 Ca -0.07 0.67 0.00 0.00 0.07 0.00 0.00 57.00 57.67 3gcj n GLN 135 Cb 0.45 -2.29 0.00 0.00 2.41 0.00 0.00 30.24 30.82 3gcj n GLN 135 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gcj n GLY 136 N 0.86 3.33 6.77 1.69 0.00 -0.67 -5.02 105.19 112.14 3gcj n GLY 136 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3gcj n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gcj n ASP 137 N 0.00 0.00 0.00 1.61 8.00 -1.26 -1.05 116.55 123.85 3gcj n ASP 137 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 3gcj n ASP 137 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 3gcj n ASP 137 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gcj n ASN 138 N -1.77 0.00 -4.53 -2.24 3.02 -1.26 -4.53 115.26 103.94 3gcj n ASN 138 Ca 0.00 -0.83 -0.40 0.00 -0.03 0.00 0.00 54.58 53.32 3gcj n ASN 138 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 3gcj n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gcj n PHE 140 N 5.10 0.63 -1.70 0.00 7.35 -0.43 -1.66 117.46 126.74 3gcj n PHE 140 Ca -0.13 -3.68 -0.38 0.00 -0.76 0.00 0.00 57.45 52.50 3gcj n PHE 140 Cb 0.50 -0.17 0.05 0.00 0.35 0.00 0.00 39.48 40.20 3gcj n PHE 140 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3gcj n PRO 141 N 2.06 1.43 -3.23 -7.13 -0.02 -1.26 -4.40 135.00 122.45 3gcj n PRO 141 Ca 0.26 0.53 -0.44 0.00 -2.02 0.00 0.00 63.50 61.83 3gcj n PRO 141 Cb 0.46 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 3gcj n PRO 141 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gcj s ILE 142 N -1.34 4.98 0.37 4.25 1.01 -0.64 -4.95 121.20 124.86 3gcj s ILE 142 Ca 0.73 -0.58 -0.25 0.00 0.00 0.00 0.00 60.65 60.55 3gcj s ILE 142 Cb -0.43 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 37.72 3gcj s ILE 142 CO 0.48 -0.70 1.00 -0.04 0.00 0.00 0.00 174.94 175.68 3gcj s MET 143 N 2.36 4.36 0.23 2.79 -1.94 -1.26 -1.15 119.30 124.69 3gcj s MET 143 Ca 0.13 1.42 -0.20 0.00 -1.71 0.00 0.00 55.69 55.32 3gcj s MET 143 Cb -0.20 -2.65 -0.08 0.00 2.01 0.00 0.00 34.83 33.91 3gcj s MET 143 CO 0.11 0.05 0.74 -0.06 -0.01 0.00 0.00 175.02 175.86 3gcj s PHE 144 N -1.66 3.66 1.08 -0.03 2.99 -1.00 -4.59 117.98 118.43 3gcj s PHE 144 Ca 0.54 1.43 -0.12 0.00 0.00 0.00 0.00 56.93 58.78 3gcj s PHE 144 Cb -0.20 -2.65 0.24 0.00 0.00 0.00 0.00 43.02 40.41 3gcj s PHE 144 CO 0.25 0.33 1.06 -2.14 -0.00 0.00 0.00 175.22 174.72 3gcj s PRO 145 N -1.97 -0.29 0.63 0.24 0.02 -1.26 -4.98 135.00 127.39 3gcj s PRO 145 Ca 0.43 0.90 -0.15 0.00 0.02 0.00 0.00 61.00 62.21 3gcj s PRO 145 Cb -0.17 -1.62 -0.02 0.00 0.02 0.00 0.00 34.50 32.71 3gcj s PRO 145 CO 0.21 -3.32 1.07 -1.59 -0.33 0.00 0.00 177.00 173.05 3gcj s LYS 146 N -4.60 3.06 0.00 5.54 -2.85 -1.26 -3.31 119.74 116.33 3gcj s LYS 146 Ca 0.67 1.23 0.00 0.00 -1.00 0.00 0.00 55.97 56.87 3gcj s LYS 146 Cb -0.23 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.54 3gcj s LYS 146 CO 0.62 -1.02 0.00 0.09 0.10 0.00 0.00 175.35 175.14 3gcj n ASN 147 N -2.35 -2.38 -4.67 0.03 5.03 -1.26 -5.00 115.26 104.66 3gcj n ASN 147 Ca 0.09 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.12 3gcj n ASN 147 Cb 0.53 -1.18 -0.04 0.00 -1.02 0.00 0.00 39.78 38.07 3gcj n ASN 147 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gcj s ASP 148 N -2.27 6.96 0.65 6.41 -1.08 -1.21 -4.94 116.67 121.20 3gcj s ASP 148 Ca 0.00 1.19 0.40 0.00 -0.52 0.00 0.00 52.55 53.61 3gcj s ASP 148 Cb 0.00 -2.46 2.19 0.00 -1.46 0.00 0.00 42.92 41.19 3gcj s ASP 148 CO 0.00 -0.44 2.27 1.55 0.52 0.00 0.00 175.17 179.07 3gcj h PRO 149 N 7.38 0.00 0.00 4.34 0.13 -1.94 -0.19 132.00 141.73 3gcj h PRO 149 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3gcj h PRO 149 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3gcj h PRO 149 CO 0.85 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.49 3gcj h LYS 150 N 0.00 0.00 -0.58 0.86 1.57 -1.94 -2.67 116.57 113.81 3gcj h LYS 150 Ca 0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 3gcj h LYS 150 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3gcj h LYS 150 CO -0.00 0.00 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.75 3gcj h LEU 151 N 0.00 1.05 -0.56 2.94 3.38 -1.18 0.97 115.31 121.92 3gcj h LEU 151 Ca 0.00 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3gcj h LEU 151 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3gcj h LEU 151 CO 0.00 1.13 -0.56 0.11 0.09 0.00 0.00 178.44 179.21 3gcj h LYS 152 N 0.95 0.00 0.00 1.13 1.57 -1.61 -3.36 116.57 115.25 3gcj h LYS 152 Ca 0.16 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.73 3gcj h LYS 152 Cb 0.62 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 3gcj h LYS 152 CO 0.04 0.56 -1.79 2.41 -0.57 0.00 0.00 179.45 180.10 3gcj n THR 153 N -3.50 0.79 -0.06 -0.16 -1.04 -1.07 -4.90 114.28 104.34 3gcj n THR 153 Ca 0.00 -0.49 -0.09 0.00 -2.04 0.00 0.00 64.05 61.43 3gcj n THR 153 Cb 0.65 -0.69 -0.05 0.00 -1.82 0.00 0.00 70.33 68.42 3gcj n THR 153 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gcj n GLN 154 N -2.43 0.28 -1.07 -2.82 6.02 0.33 -5.07 117.38 112.62 3gcj n GLN 154 Ca -0.19 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 3gcj n GLN 154 Cb 0.87 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.98 3gcj n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gcj n GLY 155 N 2.76 -0.27 0.01 1.08 0.00 -1.05 -4.94 105.19 102.78 3gcj n GLY 155 Ca -0.21 -1.03 0.10 0.00 0.00 0.00 0.00 46.02 44.89 3gcj n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gcj n LYS 156 N 0.00 0.22 -3.83 1.61 5.02 -1.26 -4.13 118.16 115.79 3gcj n LYS 156 Ca 0.00 -0.06 -0.07 0.00 -2.02 0.00 0.00 58.31 56.17 3gcj n LYS 156 Cb 0.00 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 33.51 3gcj n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gcj s MET 158 N -2.51 3.27 0.62 0.00 -1.94 -0.30 -4.97 119.30 113.48 3gcj s MET 158 Ca 0.16 -0.71 -0.18 0.00 -1.71 0.00 0.00 55.69 53.25 3gcj s MET 158 Cb -0.04 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 3gcj s MET 158 CO 0.09 -0.03 1.23 -1.25 -0.01 0.00 0.00 175.02 175.04 3gcj s PRO 159 N 0.97 2.76 -0.24 2.03 0.04 -1.26 -1.62 135.00 137.68 3gcj s PRO 159 Ca -0.02 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 3gcj s PRO 159 Cb -0.15 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.56 3gcj s PRO 159 CO -0.02 -1.38 0.59 0.12 0.04 0.00 0.00 177.00 176.35 3gcj s PHE 160 N -1.61 -0.85 -0.07 0.56 5.36 -1.26 -4.80 117.98 115.30 3gcj s PHE 160 Ca 0.78 1.79 0.05 0.00 -0.96 0.00 0.00 56.93 58.58 3gcj s PHE 160 Cb -0.32 0.45 -0.01 0.00 -0.34 0.00 0.00 43.02 42.80 3gcj s PHE 160 CO 0.36 -0.43 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.42 3gcj s PHE 161 N 1.32 2.55 0.63 10.12 0.40 -1.26 -1.32 117.98 130.42 3gcj s PHE 161 Ca -0.08 -0.64 -0.18 0.00 -0.60 0.00 0.00 56.93 55.43 3gcj s PHE 161 Cb -0.06 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 3gcj s PHE 161 CO -0.14 -0.16 1.27 0.54 0.70 0.00 0.00 175.22 177.43 3gcj n ARG 162 N 2.97 1.16 -2.30 0.44 1.74 -0.29 -4.68 116.66 115.69 3gcj n ARG 162 Ca -0.18 0.45 -0.35 0.00 -0.77 0.00 0.00 57.85 57.00 3gcj n ARG 162 Cb 0.52 -2.50 -0.01 0.00 -1.02 0.00 0.00 32.46 29.45 3gcj n ARG 162 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gcj s ALA 163 N -1.38 2.78 0.82 7.54 0.00 -1.26 -1.65 121.76 128.59 3gcj s ALA 163 Ca 0.81 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 3gcj s ALA 163 Cb -0.39 -3.35 0.09 0.00 0.00 0.00 0.00 23.12 19.47 3gcj s ALA 163 CO 0.42 -0.67 1.14 0.20 0.00 0.00 0.00 175.76 176.84 3gcj s GLY 164 N -1.72 1.83 0.06 0.00 0.00 -0.14 -4.64 107.32 102.70 3gcj s GLY 164 Ca 0.70 0.54 0.04 0.00 0.00 0.00 0.00 44.72 46.00 3gcj s GLY 164 CO 0.27 0.92 -0.11 -0.11 0.00 0.00 0.00 173.10 174.07 3gcj s PHE 165 N -2.59 0.98 0.82 1.90 -0.12 -1.26 -2.43 117.98 115.27 3gcj s PHE 165 Ca 0.66 -0.46 -0.11 0.00 -0.05 0.00 0.00 56.93 56.97 3gcj s PHE 165 Cb -0.22 -0.56 0.18 0.00 -0.63 0.00 0.00 43.02 41.78 3gcj s PHE 165 CO 0.54 -0.00 0.40 1.33 -0.05 0.00 0.00 175.22 177.44 3gcj n VAL 166 N 1.44 0.00 0.00 -2.49 0.24 -0.19 -4.35 118.33 112.98 3gcj n VAL 166 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3gcj n VAL 166 Cb 0.54 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 3gcj n VAL 166 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gcj n PRO 168 N 13.71 0.00 0.00 0.00 -0.02 -1.26 -4.00 135.00 143.43 3gcj n PRO 168 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gcj n PRO 168 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3gcj n PRO 168 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3gcj n THR 169 N 0.00 0.00 -2.45 3.45 5.66 -1.26 -4.83 114.28 114.84 3gcj n THR 169 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 3gcj n THR 169 Cb 0.00 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 68.91 3gcj n THR 169 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 3gcj s PRO 170 N -0.47 1.39 -0.02 1.09 0.02 -1.26 -5.00 135.00 130.75 3gcj s PRO 170 Ca 0.00 -1.01 -0.38 0.00 0.02 0.00 0.00 61.00 59.63 3gcj s PRO 170 Cb 0.00 -2.22 -0.17 0.00 0.02 0.00 0.00 34.50 32.13 3gcj s PRO 170 CO 0.00 -1.71 1.38 -2.30 -0.33 0.00 0.00 177.00 174.05 3gcj n PRO 171 N -3.06 0.94 -4.77 5.54 -0.02 -1.26 -5.02 135.00 127.34 3gcj n PRO 171 Ca 0.16 0.34 -0.28 0.00 -2.02 0.00 0.00 63.50 61.70 3gcj n PRO 171 Cb 0.60 -1.96 -0.14 0.00 -0.02 0.00 0.00 33.50 31.98 3gcj n PRO 171 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3gcj s TYR 172 N 1.07 2.05 -0.12 6.00 5.04 -1.26 -5.08 117.35 125.05 3gcj s TYR 172 Ca 0.89 -0.39 0.03 0.00 -2.44 0.00 0.00 57.07 55.16 3gcj s TYR 172 Cb -1.04 -1.23 -0.04 0.00 0.35 0.00 0.00 41.96 40.00 3gcj s TYR 172 CO 0.53 0.11 0.13 0.00 -1.34 0.00 0.00 175.55 174.97 3gcj n GLN 173 N 1.81 4.62 0.00 4.97 10.64 -1.26 -5.03 117.38 133.13 3gcj n GLN 173 Ca -0.17 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 3gcj n GLN 173 Cb 0.53 -0.75 0.00 0.00 -0.86 0.00 0.00 30.24 29.16 3gcj n GLN 173 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3gcj n SER 174 N -1.20 0.00 -4.62 2.61 7.64 -1.26 -5.06 113.62 111.73 3gcj n SER 174 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.60 3gcj n SER 174 Cb 0.06 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.46 3gcj n SER 174 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3gcj s LEU 175 N -2.65 1.48 0.47 -3.43 2.96 -1.26 -4.97 118.68 111.28 3gcj s LEU 175 Ca 0.00 1.38 -0.22 0.00 -0.22 0.00 0.00 54.13 55.07 3gcj s LEU 175 Cb 0.00 -3.51 -0.07 0.00 0.50 0.00 0.00 46.19 43.10 3gcj s LEU 175 CO 0.00 -3.43 1.16 0.00 -1.32 0.00 0.00 176.35 172.76 3gcj s ALA 176 N -2.78 2.93 0.04 5.97 0.00 -1.26 -4.93 121.76 121.73 3gcj s ALA 176 Ca 0.66 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 53.23 3gcj s ALA 176 Cb -0.21 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 3gcj s ALA 176 CO 0.60 -0.67 1.64 0.50 0.00 0.00 0.00 175.76 177.83 3gcj s ARG 177 N -2.79 4.20 -0.16 0.00 3.52 -0.16 -5.01 118.95 118.54 3gcj s ARG 177 Ca 0.65 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 58.54 3gcj s ARG 177 Cb -0.28 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 3gcj s ARG 177 CO 0.33 -0.75 -0.16 -1.21 -0.81 0.00 0.00 175.30 172.70 3gcj s GLU 178 N 2.96 3.15 0.75 5.12 0.41 -1.26 -4.98 118.70 124.86 3gcj s GLU 178 Ca 0.74 -0.77 -0.11 0.00 -0.41 0.00 0.00 54.97 54.41 3gcj s GLU 178 Cb -0.38 -2.62 0.04 0.00 -1.78 0.00 0.00 34.13 29.40 3gcj s GLU 178 CO 0.32 -0.05 1.08 -0.65 -0.49 0.00 0.00 175.26 175.46 3gcj s GLN 179 N 0.97 2.45 -0.08 1.61 1.11 -1.26 -1.03 119.66 123.43 3gcj s GLN 179 Ca -0.03 0.85 -0.06 0.00 0.01 0.00 0.00 55.36 56.14 3gcj s GLN 179 Cb -0.15 -1.94 -0.04 0.00 -1.01 0.00 0.00 33.01 29.87 3gcj s GLN 179 CO -0.03 -1.42 0.16 0.42 0.01 0.00 0.00 175.29 174.43 3gcj s ILE 180 N -3.07 5.48 -0.43 1.08 1.01 -1.02 -1.85 121.20 122.40 3gcj s ILE 180 Ca 0.60 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.24 3gcj s ILE 180 Cb -0.15 -3.45 0.07 0.00 0.01 0.00 0.00 42.46 38.94 3gcj s ILE 180 CO 0.55 0.53 0.30 0.21 0.00 0.00 0.00 174.94 176.53 3gcj s ASN 181 N -1.32 5.85 0.00 3.58 3.84 -0.35 -3.76 114.94 122.78 3gcj s ASN 181 Ca 0.19 -1.35 0.23 0.00 0.21 0.00 0.00 52.86 52.14 3gcj s ASN 181 Cb -0.12 -2.07 1.26 0.00 -0.55 0.00 0.00 41.25 39.77 3gcj s ASN 181 CO 0.09 -0.55 1.73 0.00 -2.79 0.00 0.00 177.10 175.58 3gcj n ALA 182 N 5.04 2.26 -2.53 1.71 0.00 0.30 -0.47 120.51 126.82 3gcj n ALA 182 Ca -0.11 -0.13 -0.25 0.00 0.00 0.00 0.00 53.44 52.96 3gcj n ALA 182 Cb 0.44 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 3gcj n ALA 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3gcj s VAL 183 N -2.25 1.62 0.29 0.00 -7.23 -1.26 -4.24 120.40 107.33 3gcj s VAL 183 Ca 0.29 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.16 3gcj s VAL 183 Cb 0.15 -2.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.13 3gcj s VAL 183 CO 0.30 -0.02 1.08 0.42 -0.31 0.00 0.00 175.10 176.57 3gcj s THR 184 N -2.99 3.55 -0.12 5.32 -4.23 -1.26 -4.12 115.64 111.79 3gcj s THR 184 Ca 0.35 1.52 0.30 0.00 -1.18 0.00 0.00 61.69 62.68 3gcj s THR 184 Cb 0.09 -3.95 0.36 0.00 1.34 0.00 0.00 72.50 70.34 3gcj s THR 184 CO 0.16 0.33 1.86 0.28 -0.54 0.00 0.00 174.62 176.71 3gcj h SER 185 N 3.68 0.00 -3.89 3.99 0.02 -1.45 -3.40 113.55 112.50 3gcj h SER 185 Ca -0.47 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.00 3gcj h SER 185 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 3gcj h SER 185 CO 0.66 0.00 0.39 -0.36 -1.14 0.00 0.00 176.83 176.38 3gcj s PHE 186 N -3.50 3.55 -0.98 3.45 0.40 -1.26 -4.80 117.98 114.84 3gcj s PHE 186 Ca 0.03 1.73 -0.24 0.00 -0.60 0.00 0.00 56.93 57.86 3gcj s PHE 186 Cb 0.08 -3.04 0.02 0.00 0.51 0.00 0.00 43.02 40.58 3gcj s PHE 186 CO 0.55 -0.16 1.63 -1.17 0.70 0.00 0.00 175.22 176.78 3gcj s LEU 187 N -2.12 3.38 -0.06 -0.37 0.20 -1.26 -4.68 118.68 113.78 3gcj s LEU 187 Ca 0.51 -1.18 0.08 0.00 0.69 0.00 0.00 54.13 54.24 3gcj s LEU 187 Cb -0.22 -2.57 0.13 0.00 -0.43 0.00 0.00 46.19 43.10 3gcj s LEU 187 CO 0.28 -1.95 1.06 -0.90 -0.29 0.00 0.00 176.35 174.55 3gcj n ASP 188 N 10.70 1.05 -1.64 3.68 5.68 -1.26 -4.73 116.55 130.02 3gcj n ASP 188 Ca 0.36 -2.46 -0.16 0.00 -0.50 0.00 0.00 54.79 52.03 3gcj n ASP 188 Cb 0.50 -0.29 -0.02 0.00 -1.14 0.00 0.00 41.12 40.16 3gcj n ASP 188 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gcj n ALA 189 N -0.64 -0.41 0.30 2.12 0.00 -1.26 -4.69 120.51 115.94 3gcj n ALA 189 Ca 0.07 0.16 0.19 0.00 0.00 0.00 0.00 53.44 53.85 3gcj n ALA 189 Cb 0.66 -1.74 0.93 0.00 0.00 0.00 0.00 19.45 19.30 3gcj n ALA 189 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gcj h SER 190 N 0.00 0.00 0.91 0.00 4.64 -1.85 -0.71 113.55 116.55 3gcj h SER 190 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3gcj h SER 190 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3gcj h SER 190 CO 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 3gcj n LEU 191 N -2.91 0.49 -0.11 5.97 -0.00 -1.26 -0.32 117.00 118.85 3gcj n LEU 191 Ca -0.01 0.59 -0.23 0.00 -0.00 0.00 0.00 56.01 56.35 3gcj n LEU 191 Cb 0.15 -0.48 -0.12 0.00 -0.00 0.00 0.00 43.42 42.97 3gcj n LEU 191 CO 0.21 -0.33 -1.24 0.52 -0.00 0.00 0.00 177.39 176.55 3gcj n VAL 192 N -2.00 1.55 0.06 1.47 0.31 -0.31 -2.03 118.33 117.39 3gcj n VAL 192 Ca 0.04 -0.47 0.11 0.00 -0.01 0.00 0.00 64.34 64.02 3gcj n VAL 192 Cb 0.28 -1.68 -0.09 0.00 -0.91 0.00 0.00 33.84 31.44 3gcj n VAL 192 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3gcj n TYR 193 N -3.75 0.42 0.00 3.52 4.02 -1.00 -3.08 117.16 117.29 3gcj n TYR 193 Ca -0.46 0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 3gcj n TYR 193 Cb 0.93 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 3gcj n TYR 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gcj n GLY 194 N 1.23 1.76 0.09 2.72 0.00 0.57 -3.60 105.19 107.97 3gcj n GLY 194 Ca -0.02 -1.98 0.01 0.00 0.00 0.00 0.00 46.02 44.03 3gcj n GLY 194 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gcj n SER 195 N 0.00 1.01 -4.32 1.61 7.64 -1.26 -4.73 113.62 113.57 3gcj n SER 195 Ca 0.00 -1.01 -0.28 0.00 1.01 0.00 0.00 58.87 58.59 3gcj n SER 195 Cb 0.00 0.21 -0.14 0.00 -1.01 0.00 0.00 64.21 63.26 3gcj n SER 195 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3gcj s GLU 196 N -0.45 1.58 0.00 1.43 2.02 -1.26 -3.99 118.70 118.03 3gcj s GLU 196 Ca 0.03 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 53.92 3gcj s GLU 196 Cb 0.02 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.46 3gcj s GLU 196 CO 0.05 0.45 0.28 -2.30 0.02 0.00 0.00 175.26 173.77 3gcj n PRO 197 N 1.62 0.19 0.00 0.39 -0.02 -1.26 -1.37 135.00 134.54 3gcj n PRO 197 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3gcj n PRO 197 Cb 0.53 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3gcj n PRO 197 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3gcj n LEU 199 N 1.42 0.00 -0.32 2.45 7.94 -1.26 -2.40 117.00 124.84 3gcj n LEU 199 Ca 0.00 0.00 0.17 0.00 -1.11 0.00 0.00 56.01 55.07 3gcj n LEU 199 Cb 0.09 0.00 0.36 0.00 0.53 0.00 0.00 43.42 44.40 3gcj n LEU 199 CO 0.00 0.00 1.05 0.00 -1.11 0.00 0.00 177.39 177.33 3gcj h ALA 200 N 0.00 1.57 -0.27 1.96 0.00 -1.28 -0.79 119.26 120.44 3gcj h ALA 200 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3gcj h ALA 200 Cb 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gcj h ALA 200 CO 0.00 -0.43 -0.39 1.03 0.00 0.00 0.00 179.25 179.46 3gcj h SER 201 N 0.34 0.81 0.44 0.00 0.87 -1.72 -3.12 113.55 111.17 3gcj h SER 201 Ca 0.61 -0.51 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 3gcj h SER 201 Cb 1.26 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.99 3gcj h SER 201 CO -0.58 1.16 -0.16 -0.09 -0.53 0.00 0.00 176.83 176.63 3gcj h ARG 202 N 0.48 0.00 0.00 2.24 2.43 -1.53 -2.49 114.38 115.52 3gcj h ARG 202 Ca 0.03 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3gcj h ARG 202 Cb 0.98 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3gcj h ARG 202 CO 0.09 0.16 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.40 3gcj h LEU 203 N 0.00 0.00-10.18 3.80 4.07 -1.13 -3.47 115.31 108.40 3gcj h LEU 203 Ca -0.00 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.47 3gcj h LEU 203 Cb 0.43 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.18 3gcj h LEU 203 CO 0.02 0.24 0.25 -0.13 -1.08 0.00 0.00 178.44 177.74 3gcj s ARG 204 N -3.10 3.86 -0.72 1.13 0.52 -0.94 -0.05 118.95 119.64 3gcj s ARG 204 Ca 0.05 0.71 -0.16 0.00 -0.52 0.00 0.00 55.73 55.81 3gcj s ARG 204 Cb 0.06 -2.26 0.16 0.00 0.52 0.00 0.00 34.95 33.43 3gcj s ARG 204 CO 0.70 -0.17 0.75 1.21 0.02 0.00 0.00 175.30 177.82 3gcj s ASN 205 N -3.15 6.48 0.00 0.23 3.84 -0.17 -4.35 114.94 117.82 3gcj s ASN 205 Ca 0.55 -2.10 0.25 0.00 0.21 0.00 0.00 52.86 51.77 3gcj s ASN 205 Cb -0.10 -2.26 0.55 0.00 -0.55 0.00 0.00 41.25 38.89 3gcj s ASN 205 CO 0.32 -0.84 1.46 0.18 -2.79 0.00 0.00 177.10 175.43 3gcj n LEU 206 N 5.20 2.44 -0.44 3.21 4.77 -1.26 -3.99 117.00 126.92 3gcj n LEU 206 Ca 0.04 -0.87 0.14 0.00 -0.03 0.00 0.00 56.01 55.29 3gcj n LEU 206 Cb 0.45 -0.04 0.53 0.00 -2.33 0.00 0.00 43.42 42.03 3gcj n LEU 206 CO 0.46 0.43 0.86 -1.54 -1.33 0.00 0.00 177.39 176.28 3gcj n SER 207 N 0.89 1.40 -3.98 -1.43 3.41 -1.26 -4.79 113.62 107.86 3gcj n SER 207 Ca 0.16 -1.43 -0.18 0.00 -0.26 0.00 0.00 58.87 57.17 3gcj n SER 207 Cb 0.50 0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.31 3gcj n SER 207 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gcj s SER 208 N -2.04 0.90 -0.05 4.04 0.15 -1.26 -5.06 113.70 110.38 3gcj s SER 208 Ca 0.37 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.89 3gcj s SER 208 Cb 0.21 -0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.42 3gcj s SER 208 CO 0.35 0.07 1.52 -0.81 1.20 0.00 0.00 173.24 175.57 3gcj n PRO 209 N 3.07 1.14 0.00 5.44 -0.04 -1.26 -4.21 135.00 139.13 3gcj n PRO 209 Ca -0.15 -0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.10 3gcj n PRO 209 Cb 0.56 -1.12 0.05 0.00 -0.04 0.00 0.00 33.50 32.96 3gcj n PRO 209 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gcj n LEU 210 N 0.78 2.21 -2.36 1.53 4.77 -1.26 -3.27 117.00 119.40 3gcj n LEU 210 Ca 0.06 -0.93 -0.17 0.00 -0.03 0.00 0.00 56.01 54.94 3gcj n LEU 210 Cb 0.57 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.68 3gcj n LEU 210 CO 0.07 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3gcj n GLY 211 N 1.04 -0.23 3.97 -0.72 0.00 -1.25 -4.72 105.19 103.27 3gcj n GLY 211 Ca 0.09 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 3gcj n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gcj s LEU 212 N -5.22 3.87 0.13 0.99 1.43 -1.26 -3.98 118.68 114.64 3gcj s LEU 212 Ca 0.24 0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 3gcj s LEU 212 Cb -0.10 -2.94 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 3gcj s LEU 212 CO 0.29 -0.51 0.43 -0.04 0.23 0.00 0.00 176.35 176.75 3gcj s MET 213 N -4.32 3.74 0.49 1.70 -1.94 -1.26 -1.00 119.30 116.71 3gcj s MET 213 Ca 0.45 0.14 -0.24 0.00 -1.71 0.00 0.00 55.69 54.33 3gcj s MET 213 Cb -0.10 -2.89 -0.07 0.00 2.01 0.00 0.00 34.83 33.79 3gcj s MET 213 CO 0.34 0.48 1.37 0.00 -0.01 0.00 0.00 175.02 177.20 3gcj s ALA 214 N -1.55 3.05 0.27 3.03 0.00 0.93 -4.56 121.76 122.93 3gcj s ALA 214 Ca 0.38 1.35 0.06 0.00 0.00 0.00 0.00 51.96 53.75 3gcj s ALA 214 Cb -0.13 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 3gcj s ALA 214 CO 0.21 -1.20 -0.03 0.14 0.00 0.00 0.00 175.76 174.87 3gcj s VAL 215 N -1.27 1.47 0.53 0.00 -7.23 -1.26 -4.47 120.40 108.16 3gcj s VAL 215 Ca 0.65 -2.09 -0.22 0.00 -1.81 0.00 0.00 61.98 58.51 3gcj s VAL 215 Cb -0.41 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 3gcj s VAL 215 CO 0.51 -0.28 1.31 0.21 -0.31 0.00 0.00 175.10 176.54 3gcj s ASN 216 N -3.42 5.47 -0.00 4.85 3.84 -0.41 -4.58 114.94 120.69 3gcj s ASN 216 Ca 0.30 2.65 0.07 0.00 0.21 0.00 0.00 52.86 56.09 3gcj s ASN 216 Cb 0.05 -2.63 -0.08 0.00 -0.55 0.00 0.00 41.25 38.04 3gcj s ASN 216 CO 0.11 -1.43 0.27 0.00 -2.79 0.00 0.00 177.10 173.26 3gcj n GLN 217 N -0.92 4.26 0.08 0.43 1.13 -1.26 -4.58 117.38 116.53 3gcj n GLN 217 Ca 0.10 -0.01 0.08 0.00 -1.94 0.00 0.00 57.00 55.23 3gcj n GLN 217 Cb 0.46 -0.85 -0.02 0.00 0.11 0.00 0.00 30.24 29.93 3gcj n GLN 217 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3gcj h GLU 218 N 0.00 0.00 -2.95 -1.09 4.39 -1.99 -3.48 114.58 109.46 3gcj h GLU 218 Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 3gcj h GLU 218 Cb 0.17 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 28.58 3gcj h GLU 218 CO 0.00 0.10 -0.33 0.00 -1.16 0.00 0.00 179.01 177.62 3gcj s ALA 219 N -3.22 -0.81 0.12 3.43 0.00 -1.26 -5.17 121.76 114.86 3gcj s ALA 219 Ca -0.01 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.86 3gcj s ALA 219 Cb 0.09 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3gcj s ALA 219 CO 0.80 -0.16 -0.09 -1.58 0.00 0.00 0.00 175.76 174.72 3gcj s TRP 220 N 0.05 1.10 -0.68 0.00 0.52 -1.26 -4.54 118.94 114.13 3gcj s TRP 220 Ca -0.01 -0.80 0.00 0.00 0.02 0.00 0.00 56.10 55.31 3gcj s TRP 220 Cb -0.03 -0.59 0.17 0.00 -1.15 0.00 0.00 33.47 31.88 3gcj s TRP 220 CO 0.01 -0.01 0.49 0.34 0.02 0.00 0.00 176.95 177.79 3gcj s ASP 221 N -3.02 5.12 -1.49 2.95 2.15 0.67 -4.73 116.67 118.33 3gcj s ASP 221 Ca 0.13 -3.28 -0.08 0.00 0.43 0.00 0.00 52.55 49.75 3gcj s ASP 221 Cb 0.03 -1.78 0.06 0.00 -0.30 0.00 0.00 42.92 40.93 3gcj s ASP 221 CO -0.01 -0.24 0.71 1.41 -0.17 0.00 0.00 175.17 176.86 3gcj n HIS 222 N 2.85 -1.90 -0.76 -5.34 8.25 -1.26 -0.32 115.22 116.74 3gcj n HIS 222 Ca 0.13 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 3gcj n HIS 222 Cb 0.36 -3.76 0.00 0.00 1.12 0.00 0.00 29.99 27.71 3gcj n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gcj n GLY 223 N -1.70 0.76 3.62 -1.41 0.00 -1.26 -5.05 105.19 100.15 3gcj n GLY 223 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 3gcj n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gcj s LEU 224 N 0.00 3.17 0.65 0.99 1.43 0.56 -5.12 118.68 120.37 3gcj s LEU 224 Ca 0.00 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 3gcj s LEU 224 Cb 0.00 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3gcj s LEU 224 CO 0.00 0.15 1.06 0.00 0.23 0.00 0.00 176.35 177.80 3gcj s ALA 225 N -1.37 2.68 0.24 4.21 0.00 -1.26 -0.24 121.76 126.02 3gcj s ALA 225 Ca 0.24 0.24 0.11 0.00 0.00 0.00 0.00 51.96 52.55 3gcj s ALA 225 Cb -0.11 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 3gcj s ALA 225 CO 0.16 -1.07 -0.19 0.71 0.00 0.00 0.00 175.76 175.36 3gcj s TYR 226 N -2.75 2.12 0.53 0.00 4.12 -1.26 -4.78 117.35 115.32 3gcj s TYR 226 Ca 0.61 -0.40 -0.19 0.00 0.02 0.00 0.00 57.07 57.11 3gcj s TYR 226 Cb -0.15 -0.96 -0.06 0.00 -1.52 0.00 0.00 41.96 39.26 3gcj s TYR 226 CO 0.47 0.58 1.07 -0.51 0.02 0.00 0.00 175.55 177.17 3gcj s LEU 227 N -3.28 3.73 0.78 -1.29 1.43 -1.26 -1.28 118.68 117.51 3gcj s LEU 227 Ca 0.26 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 55.22 3gcj s LEU 227 Cb -0.04 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.68 3gcj s LEU 227 CO 0.12 -1.02 1.13 -2.16 0.23 0.00 0.00 176.35 174.65 3gcj s PRO 228 N -3.44 2.01 0.60 1.29 0.04 -1.26 -4.14 135.00 130.10 3gcj s PRO 228 Ca 0.68 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 63.01 3gcj s PRO 228 Cb -0.19 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 3gcj s PRO 228 CO 0.26 -1.87 1.02 -0.06 0.04 0.00 0.00 177.00 176.39 3gcj s PHE 229 N -2.57 3.48 0.22 0.56 0.08 -1.26 0.20 117.98 118.68 3gcj s PHE 229 Ca 0.66 1.37 -0.07 0.00 0.12 0.00 0.00 56.93 59.01 3gcj s PHE 229 Cb -0.21 -2.78 -0.06 0.00 -0.57 0.00 0.00 43.02 39.39 3gcj s PHE 229 CO 0.52 -0.69 0.50 1.21 -0.10 0.00 0.00 175.22 176.66 3gcj s ASN 230 N -3.73 6.56 0.00 1.36 3.84 -0.33 -4.46 114.94 118.17 3gcj s ASN 230 Ca 0.57 0.79 0.25 0.00 0.21 0.00 0.00 52.86 54.68 3gcj s ASN 230 Cb -0.11 -2.17 0.43 0.00 -0.55 0.00 0.00 41.25 38.84 3gcj s ASN 230 CO 0.47 -0.06 1.37 -3.20 -2.79 0.00 0.00 177.10 172.89 3gcj n ASN 231 N -0.22 1.85 -4.62 -4.21 2.85 -1.26 -4.81 115.26 104.84 3gcj n ASN 231 Ca -0.01 -1.43 -0.39 0.00 -0.11 0.00 0.00 54.58 52.65 3gcj n ASN 231 Cb 0.52 0.20 -0.09 0.00 1.24 0.00 0.00 39.78 41.66 3gcj n ASN 231 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 3gcj s LYS 232 N -2.31 4.06 -0.02 1.20 2.20 -1.26 -5.06 119.74 118.55 3gcj s LYS 232 Ca 0.25 0.06 0.05 0.00 -0.36 0.00 0.00 55.97 55.97 3gcj s LYS 232 Cb 0.19 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 3gcj s LYS 232 CO 0.46 -0.20 -0.14 0.15 -0.36 0.00 0.00 175.35 175.26 3gcj s LYS 233 N 1.83 2.39 0.24 4.03 1.02 -1.26 -3.41 119.74 124.58 3gcj s LYS 233 Ca 0.15 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 3gcj s LYS 233 Cb -0.15 -2.34 -0.09 0.00 -0.52 0.00 0.00 37.83 34.73 3gcj s LYS 233 CO 0.09 0.60 1.12 -1.25 -0.92 0.00 0.00 175.35 174.99 3gcj s PRO 234 N -1.04 4.60 -0.14 -1.68 0.04 -1.26 -5.17 135.00 130.35 3gcj s PRO 234 Ca 0.13 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 3gcj s PRO 234 Cb -0.11 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 3gcj s PRO 234 CO 0.03 0.12 -0.01 -1.54 0.04 0.00 0.00 177.00 175.64 3gcj s SER 235 N -0.48 5.08 0.64 6.66 1.04 -1.22 -5.00 113.70 120.42 3gcj s SER 235 Ca 0.47 -0.01 0.41 0.00 0.48 0.00 0.00 55.95 57.31 3gcj s SER 235 Cb -0.31 -1.70 2.24 0.00 0.10 0.00 0.00 66.02 66.34 3gcj s SER 235 CO 0.39 0.24 2.32 1.55 0.98 0.00 0.00 173.24 178.72 3gcj h PRO 236 N 6.20 0.00 -0.05 4.02 0.13 -1.91 -2.49 132.00 137.90 3gcj h PRO 236 Ca -0.38 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.54 3gcj h PRO 236 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3gcj h PRO 236 CO 0.62 0.00 -0.82 0.00 -0.23 0.00 0.00 178.00 177.57 3gcj h GLU 238 N 0.26 0.00 -0.57 0.00 4.11 -1.36 -3.31 114.58 113.71 3gcj h GLU 238 Ca -0.05 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.28 3gcj h GLU 238 Cb 1.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 3gcj h GLU 238 CO 0.14 0.12 -0.02 0.35 0.07 0.00 0.00 179.01 179.67 3gcj h PHE 239 N 0.00 1.09 0.00 2.06 3.57 -1.43 -2.24 116.94 119.99 3gcj h PHE 239 Ca -0.01 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.31 3gcj h PHE 239 Cb 1.10 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3gcj h PHE 239 CO 0.00 0.97 0.00 0.44 -2.23 0.00 0.00 178.31 177.49 3gcj n ILE 240 N -4.18 1.16 -2.80 1.41 -5.35 -1.16 -3.98 119.36 104.46 3gcj n ILE 240 Ca 0.03 0.29 -0.03 0.00 -0.27 0.00 0.00 62.75 62.77 3gcj n ILE 240 Cb 0.35 -1.12 0.01 0.00 -1.74 0.00 0.00 39.64 37.14 3gcj n ILE 240 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3gcj s ASN 241 N -2.88 -1.07 0.00 7.28 3.84 -1.04 -5.02 114.94 116.06 3gcj s ASN 241 Ca 0.06 -1.13 0.03 0.00 0.21 0.00 0.00 52.86 52.03 3gcj s ASN 241 Cb 0.07 1.40 0.14 0.00 -0.55 0.00 0.00 41.25 42.30 3gcj s ASN 241 CO 0.17 -0.05 1.04 0.35 -2.79 0.00 0.00 177.10 175.82 3gcj n THR 242 N 3.09 1.56 -0.08 -5.21 -2.24 -0.87 -1.84 114.28 108.69 3gcj n THR 242 Ca 0.14 0.39 -0.18 0.00 -2.27 0.00 0.00 64.05 62.14 3gcj n THR 242 Cb 0.59 -1.34 -0.13 0.00 -2.10 0.00 0.00 70.33 67.36 3gcj n THR 242 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3gcj h THR 243 N 0.00 1.41 -0.11 4.28 2.02 -1.95 -3.34 112.91 115.22 3gcj h THR 243 Ca 0.00 -2.29 -0.10 0.00 0.77 0.00 0.00 66.41 64.79 3gcj h THR 243 Cb 0.05 2.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 3gcj h THR 243 CO 0.00 0.50 -0.39 0.00 0.37 0.00 0.00 175.52 176.00 3gcj h ALA 244 N -0.19 1.15 -6.59 6.16 0.00 -1.81 -3.47 119.26 114.51 3gcj h ALA 244 Ca -0.15 -0.39 -0.52 0.00 0.00 0.00 0.00 54.91 53.85 3gcj h ALA 244 Cb 1.17 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.91 3gcj h ALA 244 CO -0.07 0.57 -0.98 -2.13 0.00 0.00 0.00 179.25 176.64 3gcj n ARG 245 N -4.05 -0.72 -3.94 0.00 0.63 -0.77 -4.97 116.66 102.85 3gcj n ARG 245 Ca -0.01 0.28 -0.35 0.00 -0.92 0.00 0.00 57.85 56.85 3gcj n ARG 245 Cb 0.46 -3.28 -0.14 0.00 0.45 0.00 0.00 32.46 29.95 3gcj n ARG 245 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3gcj s VAL 246 N -3.48 3.05 1.01 5.15 1.01 -1.26 -4.97 120.40 120.92 3gcj s VAL 246 Ca 0.47 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 3gcj s VAL 246 Cb -0.22 -2.50 0.20 0.00 0.00 0.00 0.00 36.38 33.86 3gcj s VAL 246 CO 0.92 0.26 1.08 -2.16 0.00 0.00 0.00 175.10 175.20 3gcj s PRO 247 N 1.38 0.30 0.89 2.72 0.04 -1.26 -3.04 135.00 136.02 3gcj s PRO 247 Ca 0.02 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 3gcj s PRO 247 Cb -0.16 -1.71 0.12 0.00 0.04 0.00 0.00 34.50 32.79 3gcj s PRO 247 CO -0.04 -2.85 1.10 0.00 0.04 0.00 0.00 177.00 175.25 3gcj s PHE 249 N -3.08 3.36 -0.30 0.00 0.40 -1.26 -1.19 117.98 115.92 3gcj s PHE 249 Ca 0.63 0.64 -0.06 0.00 -0.60 0.00 0.00 56.93 57.53 3gcj s PHE 249 Cb -0.16 -2.51 0.01 0.00 0.51 0.00 0.00 43.02 40.87 3gcj s PHE 249 CO 0.55 -0.55 0.07 -1.17 0.70 0.00 0.00 175.22 174.83 3gcj s LEU 250 N -4.83 3.84 0.36 -0.37 2.96 0.13 -4.44 118.68 116.33 3gcj s LEU 250 Ca 0.51 -0.76 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3gcj s LEU 250 Cb -0.10 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3gcj s LEU 250 CO 0.44 -0.20 0.16 0.00 -1.32 0.00 0.00 176.35 175.43 3gcj s ALA 251 N 1.48 2.38 0.42 5.97 0.00 -1.26 -4.37 121.76 126.38 3gcj s ALA 251 Ca 0.02 -1.59 0.39 0.00 0.00 0.00 0.00 51.96 50.78 3gcj s ALA 251 Cb -0.17 1.02 2.05 0.00 0.00 0.00 0.00 23.12 26.01 3gcj s ALA 251 CO 0.02 -0.45 2.20 0.78 0.00 0.00 0.00 175.76 178.30 3gcj h GLY 252 N 2.01 0.00 -4.78 0.00 0.00 -1.38 -3.41 103.07 95.51 3gcj h GLY 252 Ca -0.33 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.40 3gcj h GLY 252 CO 0.52 0.00 -0.85 -0.35 0.00 0.00 0.00 176.54 175.85 3gcj s ASP 253 N -5.09 2.43 0.10 0.19 2.15 -0.86 -3.74 116.67 111.85 3gcj s ASP 253 Ca -0.03 -0.38 0.20 0.00 0.43 0.00 0.00 52.55 52.77 3gcj s ASP 253 Cb 0.11 -0.27 0.83 0.00 -0.30 0.00 0.00 42.92 43.30 3gcj s ASP 253 CO 0.41 0.25 1.63 0.49 -0.17 0.00 0.00 175.17 177.78 3gcj n PHE 254 N 2.52 0.33 1.23 -5.34 3.01 -1.26 -3.21 117.46 114.74 3gcj n PHE 254 Ca -0.15 0.12 0.13 0.00 1.01 0.00 0.00 57.45 58.55 3gcj n PHE 254 Cb 0.53 -0.69 0.31 0.00 -0.01 0.00 0.00 39.48 39.62 3gcj n PHE 254 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3gcj n ARG 255 N -1.79 1.27 -0.40 -1.08 1.74 -1.26 -4.61 116.66 110.53 3gcj n ARG 255 Ca 0.04 -0.86 0.36 0.00 -0.77 0.00 0.00 57.85 56.62 3gcj n ARG 255 Cb 0.23 -1.48 0.63 0.00 -1.02 0.00 0.00 32.46 30.82 3gcj n ARG 255 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gcj h ALA 256 N 3.99 2.51 -0.55 7.54 0.00 -1.92 -0.13 119.26 130.70 3gcj h ALA 256 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gcj h ALA 256 Cb 0.60 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3gcj h ALA 256 CO 0.00 -1.24 0.00 0.43 0.00 0.00 0.00 179.25 178.44 3gcj n SER 257 N -4.97 3.08 -0.19 0.00 7.64 -1.26 -2.47 113.62 115.45 3gcj n SER 257 Ca 0.39 -1.98 0.15 0.00 1.01 0.00 0.00 58.87 58.43 3gcj n SER 257 Cb 1.42 -0.36 0.48 0.00 -1.01 0.00 0.00 64.21 64.73 3gcj n SER 257 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3gcj h GLU 258 N 3.45 0.45 -2.69 1.43 4.81 -1.36 -2.22 114.58 118.46 3gcj h GLU 258 Ca 0.00 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 3gcj h GLU 258 Cb 0.79 -0.10 -0.21 0.00 0.63 0.00 0.00 28.75 29.85 3gcj h GLU 258 CO 0.00 0.30 -0.15 1.14 -0.73 0.00 0.00 179.01 179.57 3gcj s GLN 259 N -5.46 0.69 0.47 1.92 1.03 -1.26 -0.45 119.66 116.59 3gcj s GLN 259 Ca -0.08 0.22 0.24 0.00 0.04 0.00 0.00 55.36 55.78 3gcj s GLN 259 Cb 0.21 0.32 1.27 0.00 0.03 0.00 0.00 33.01 34.84 3gcj s GLN 259 CO 0.77 -0.16 1.84 0.97 -2.54 0.00 0.00 175.29 176.17 3gcj h ILE 260 N 3.93 0.58 0.00 3.63 2.10 -1.68 -1.34 117.51 124.72 3gcj h ILE 260 Ca -0.28 -0.08 -0.13 0.00 1.08 0.00 0.00 64.86 65.45 3gcj h ILE 260 Cb 1.17 0.33 -0.02 0.00 -1.09 0.00 0.00 36.82 37.21 3gcj h ILE 260 CO 0.33 0.04 -0.63 -0.07 -1.08 0.00 0.00 178.15 176.74 3gcj h LEU 261 N 0.23 0.00 -0.11 2.19 4.07 -1.94 -2.18 115.31 117.56 3gcj h LEU 261 Ca 0.49 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.30 3gcj h LEU 261 Cb 1.53 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.28 3gcj h LEU 261 CO -0.13 0.63 -0.52 0.25 -1.08 0.00 0.00 178.44 177.60 3gcj h LEU 262 N 0.00 0.65 -1.29 1.67 5.85 -1.53 -2.49 115.31 118.17 3gcj h LEU 262 Ca -0.01 -0.64 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 3gcj h LEU 262 Cb 1.31 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3gcj h LEU 262 CO 0.08 1.18 0.31 0.00 -0.34 0.00 0.00 178.44 179.67 3gcj h ALA 263 N 0.49 1.46 -0.50 1.25 0.00 -1.15 -1.54 119.26 119.27 3gcj h ALA 263 Ca -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gcj h ALA 263 Cb 1.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3gcj h ALA 263 CO 0.11 0.45 0.26 1.15 0.00 0.00 0.00 179.25 181.21 3gcj h THR 264 N 0.81 1.18 -0.56 0.00 2.02 -1.29 -1.64 112.91 113.43 3gcj h THR 264 Ca 0.21 -0.50 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 3gcj h THR 264 Cb 0.03 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3gcj h THR 264 CO -0.03 0.20 -0.02 0.00 0.37 0.00 0.00 175.52 176.04 3gcj h ALA 265 N 1.10 0.90 -0.80 6.16 0.00 -0.93 -2.34 119.26 123.34 3gcj h ALA 265 Ca 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gcj h ALA 265 Cb 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3gcj h ALA 265 CO -0.02 0.65 0.46 0.45 0.00 0.00 0.00 179.25 180.79 3gcj h HIS 266 N 0.91 1.07 -0.46 0.00 3.86 -1.00 -2.26 115.15 117.27 3gcj h HIS 266 Ca 0.16 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.25 3gcj h HIS 266 Cb 0.55 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 3gcj h HIS 266 CO 0.04 0.73 -0.15 1.15 0.86 0.00 0.00 177.93 180.55 3gcj h THR 267 N 1.11 1.27 -0.58 2.45 2.02 -0.99 -1.08 112.91 117.11 3gcj h THR 267 Ca 0.29 -1.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 3gcj h THR 267 Cb -0.01 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3gcj h THR 267 CO -0.05 0.43 0.33 -0.07 0.37 0.00 0.00 175.52 176.54 3gcj h LEU 268 N 0.77 0.71 -0.47 2.58 4.07 -1.01 -1.64 115.31 120.31 3gcj h LEU 268 Ca 0.12 -0.08 -0.14 0.00 0.08 0.00 0.00 57.88 57.86 3gcj h LEU 268 Cb 0.67 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 3gcj h LEU 268 CO 0.05 0.58 -0.28 -0.07 -1.08 0.00 0.00 178.44 177.64 3gcj h LEU 269 N 0.78 0.99 -0.39 1.67 3.38 -1.23 -1.83 115.31 118.69 3gcj h LEU 269 Ca 0.21 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3gcj h LEU 269 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3gcj h LEU 269 CO -0.04 1.20 0.25 0.25 0.09 0.00 0.00 178.44 180.20 3gcj h LEU 270 N 0.81 0.45 -0.98 1.67 5.85 -1.01 -2.25 115.31 119.84 3gcj h LEU 270 Ca 0.09 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3gcj h LEU 270 Cb 0.86 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3gcj h LEU 270 CO 0.08 0.33 0.60 0.03 -0.34 0.00 0.00 178.44 179.14 3gcj h ARG 271 N 0.52 1.30 -0.50 1.25 3.08 -1.16 -2.35 114.38 116.53 3gcj h ARG 271 Ca 0.14 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 3gcj h ARG 271 Cb -0.05 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.70 3gcj h ARG 271 CO -0.03 0.89 0.06 1.49 -1.07 0.00 0.00 179.97 181.31 3gcj h GLU 272 N 1.32 0.79 -0.43 0.04 4.57 -0.97 0.87 114.58 120.76 3gcj h GLU 272 Ca 0.35 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3gcj h GLU 272 Cb -0.09 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 3gcj h GLU 272 CO -0.07 0.75 0.25 1.25 -1.18 0.00 0.00 179.01 180.01 3gcj h HIS 273 N 0.75 0.58 -0.35 0.92 2.76 -0.88 0.19 115.15 119.12 3gcj h HIS 273 Ca 0.16 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 3gcj h HIS 273 Cb 0.37 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 3gcj h HIS 273 CO 0.02 0.43 -0.27 -0.91 -1.30 0.00 0.00 177.93 175.89 3gcj h ASN 274 N 0.57 0.85 -0.36 3.26 4.21 -1.23 -0.21 115.58 122.68 3gcj h ASN 274 Ca 0.15 -0.45 0.03 0.00 1.21 0.00 0.00 56.30 57.25 3gcj h ASN 274 Cb 0.03 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 36.96 3gcj h ASN 274 CO -0.03 1.12 0.16 -0.09 -1.29 0.00 0.00 177.43 177.30 3gcj h ARG 275 N 0.60 0.33 -0.63 0.81 2.43 -0.68 -1.01 114.38 116.23 3gcj h ARG 275 Ca 0.07 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3gcj h ARG 275 Cb 0.85 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 3gcj h ARG 275 CO 0.07 0.22 0.23 -0.07 -1.51 0.00 0.00 179.97 178.91 3gcj h LEU 276 N 0.34 0.88 -0.60 3.80 4.07 -0.85 -1.74 115.31 121.21 3gcj h LEU 276 Ca 0.15 -0.18 -0.13 0.00 0.08 0.00 0.00 57.88 57.80 3gcj h LEU 276 Cb 0.09 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 3gcj h LEU 276 CO -0.12 0.83 -0.33 0.00 -1.08 0.00 0.00 178.44 177.73 3gcj h ALA 277 N 1.09 0.78 0.00 1.53 0.00 -0.69 -0.88 119.26 121.09 3gcj h ALA 277 Ca 0.21 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3gcj h ALA 277 Cb 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gcj h ALA 277 CO -0.01 0.65 -0.22 0.07 0.00 0.00 0.00 179.25 179.73 3gcj h ARG 278 N 0.63 0.00 0.01 0.00 0.11 -1.14 -1.95 114.38 112.03 3gcj h ARG 278 Ca 0.07 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.95 3gcj h ARG 278 Cb 0.86 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.92 3gcj h ARG 278 CO 0.08 0.04 -0.93 1.49 0.10 0.00 0.00 179.97 180.75 3gcj h GLU 279 N 0.00 0.02 0.00 0.08 4.57 -1.16 -3.04 114.58 115.05 3gcj h GLU 279 Ca -0.00 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 57.95 3gcj h GLU 279 Cb 1.03 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.61 3gcj h GLU 279 CO 0.01 0.93 -0.97 -0.07 -1.18 0.00 0.00 179.01 177.73 3gcj h LEU 280 N 0.01 0.00 -1.31 1.64 3.38 -1.07 -3.17 115.31 114.79 3gcj h LEU 280 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3gcj h LEU 280 Cb 1.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 3gcj h LEU 280 CO 0.12 0.90 -0.34 0.50 0.09 0.00 0.00 178.44 179.71 3gcj h LYS 281 N 0.00 0.00 -0.19 1.13 1.63 -1.34 -1.19 116.57 116.62 3gcj h LYS 281 Ca -0.03 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.58 3gcj h LYS 281 Cb 1.71 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.34 3gcj h LYS 281 CO 0.11 0.34 -0.63 -0.22 -3.45 0.00 0.00 179.45 175.60 3gcj h LYS 282 N 0.00 0.67 0.00 1.90 3.64 -1.51 -2.78 116.57 118.49 3gcj h LYS 282 Ca -0.00 -0.47 -0.14 0.00 -1.27 0.00 0.00 60.65 58.76 3gcj h LYS 282 Cb 0.63 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 3gcj h LYS 282 CO 0.04 1.09 -1.01 -0.07 -2.27 0.00 0.00 179.45 177.23 3gcj h LEU 283 N 0.49 0.00 -6.30 5.20 3.38 -1.50 -3.40 115.31 113.20 3gcj h LEU 283 Ca -0.01 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.37 3gcj h LEU 283 Cb 1.21 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.56 3gcj h LEU 283 CO 0.12 0.57 -0.87 0.59 0.09 0.00 0.00 178.44 178.94 3gcj n ASN 284 N -3.06 1.31 0.09 -0.43 3.02 -0.47 -4.68 115.26 111.05 3gcj n ASN 284 Ca -0.04 -2.88 0.20 0.00 -0.03 0.00 0.00 54.58 51.84 3gcj n ASN 284 Cb 0.80 -0.64 0.74 0.00 -0.61 0.00 0.00 39.78 40.07 3gcj n ASN 284 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3gcj h PRO 285 N 4.64 0.00 0.00 3.52 0.11 -1.71 -1.83 132.00 136.73 3gcj h PRO 285 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3gcj h PRO 285 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3gcj h PRO 285 CO 0.57 0.00 -0.34 1.12 -0.21 0.00 0.00 178.00 179.14 3gcj h HIS 286 N 0.00 0.00 -3.76 0.65 2.07 -1.93 -3.47 115.15 108.72 3gcj h HIS 286 Ca 0.19 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.18 3gcj h HIS 286 Cb 1.08 0.00 0.09 0.00 2.57 0.00 0.00 27.41 31.15 3gcj h HIS 286 CO 0.00 0.00 0.78 -1.58 -3.07 0.00 0.00 177.93 174.06 3gcj s TRP 287 N -3.25 2.74 0.84 6.12 0.52 -0.69 -5.02 118.94 120.21 3gcj s TRP 287 Ca 0.05 1.12 -0.08 0.00 0.02 0.00 0.00 56.10 57.20 3gcj s TRP 287 Cb 0.07 -3.96 0.16 0.00 -1.15 0.00 0.00 33.47 28.60 3gcj s TRP 287 CO 0.70 -2.89 1.16 0.54 0.02 0.00 0.00 176.95 176.48 3gcj s ASN 288 N -0.03 3.72 0.13 2.95 4.22 -1.26 -4.86 114.94 119.81 3gcj s ASN 288 Ca 0.55 -0.05 -0.27 0.00 -2.14 0.00 0.00 52.86 50.95 3gcj s ASN 288 Cb -0.45 -0.16 -0.05 0.00 1.28 0.00 0.00 41.25 41.87 3gcj s ASN 288 CO 0.57 -2.30 1.61 1.23 -2.04 0.00 0.00 177.10 176.16 3gcj h GLY 289 N -1.09 -0.51 0.29 0.45 0.00 -1.90 -1.53 103.07 98.76 3gcj h GLY 289 Ca -0.40 0.39 0.09 0.00 0.00 0.00 0.00 47.33 47.41 3gcj h GLY 289 CO 0.39 -0.23 0.08 -2.09 0.00 0.00 0.00 176.54 174.69 3gcj h GLU 290 N -0.46 0.20 -0.65 4.80 4.57 -1.95 -0.27 114.58 120.82 3gcj h GLU 290 Ca 0.07 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3gcj h GLU 290 Cb 0.56 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 3gcj h GLU 290 CO -0.28 0.13 0.42 -0.22 -1.18 0.00 0.00 179.01 177.88 3gcj h LYS 291 N 0.21 0.82 -0.27 1.92 1.63 -1.87 -0.75 116.57 118.25 3gcj h LYS 291 Ca 0.26 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 3gcj h LYS 291 Cb 0.36 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 3gcj h LYS 291 CO -0.36 0.54 0.13 -0.07 -3.45 0.00 0.00 179.45 176.25 3gcj h LEU 292 N 0.85 0.36 0.35 5.20 -0.00 -0.34 -1.21 115.31 120.51 3gcj h LEU 292 Ca 0.25 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 3gcj h LEU 292 Cb -0.06 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.50 3gcj h LEU 292 CO -0.07 0.38 -0.26 0.22 -0.00 0.00 0.00 178.44 178.71 3gcj h TYR 293 N 0.31 -0.70 -0.87 1.13 3.20 -0.69 -1.37 116.97 117.97 3gcj h TYR 293 Ca 0.09 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3gcj h TYR 293 Cb 0.12 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 3gcj h TYR 293 CO -0.02 -0.40 0.58 1.96 -1.64 0.00 0.00 178.16 178.64 3gcj h GLN 294 N -0.61 1.15 -0.30 1.82 1.08 -1.13 -0.72 115.11 116.39 3gcj h GLN 294 Ca -0.03 -0.07 -0.14 0.00 -1.45 0.00 0.00 58.65 56.96 3gcj h GLN 294 Cb 0.53 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 3gcj h GLN 294 CO 0.00 0.76 -0.40 1.49 -0.95 0.00 0.00 178.83 179.73 3gcj h GLU 295 N 1.18 0.72 -0.20 1.46 4.57 -1.11 0.09 114.58 121.29 3gcj h GLU 295 Ca 0.32 -0.37 -0.13 0.00 -1.18 0.00 0.00 59.36 57.99 3gcj h GLU 295 Cb -0.14 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3gcj h GLU 295 CO -0.07 0.99 -0.40 0.00 -1.18 0.00 0.00 179.01 178.35 3gcj h ALA 296 N 0.96 0.32 -0.64 2.92 0.00 -1.10 -2.81 119.26 118.92 3gcj h ALA 296 Ca 0.05 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.56 3gcj h ALA 296 Cb 0.94 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3gcj h ALA 296 CO 0.09 0.42 0.35 -0.09 0.00 0.00 0.00 179.25 180.02 3gcj h ARG 297 N 0.31 0.64 -0.83 0.00 2.43 -1.02 -0.39 114.38 115.53 3gcj h ARG 297 Ca 0.01 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3gcj h ARG 297 Cb 1.00 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 3gcj h ARG 297 CO 0.09 0.42 0.39 -0.22 -1.51 0.00 0.00 179.97 179.15 3gcj h LYS 298 N 0.66 1.20 -0.37 0.20 3.64 -0.97 -1.72 116.57 119.21 3gcj h LYS 298 Ca 0.29 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3gcj h LYS 298 Cb 0.17 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3gcj h LYS 298 CO -0.18 0.92 0.07 0.82 -2.27 0.00 0.00 179.45 178.82 3gcj h ILE 299 N 1.18 1.23 -0.22 2.00 2.04 -1.11 -2.68 117.51 119.96 3gcj h ILE 299 Ca 0.28 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 3gcj h ILE 299 Cb 0.13 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3gcj h ILE 299 CO -0.03 0.28 -0.15 0.25 0.00 0.00 0.00 178.15 178.49 3gcj h LEU 300 N 0.44 0.35 -0.71 1.44 5.85 -0.81 -1.18 115.31 120.69 3gcj h LEU 300 Ca 0.11 -0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 3gcj h LEU 300 Cb 0.34 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3gcj h LEU 300 CO 0.00 0.53 -0.47 1.23 -0.34 0.00 0.00 178.44 179.39 3gcj h GLY 301 N 0.88 0.45 1.22 3.75 0.00 -1.25 -2.30 103.07 105.82 3gcj h GLY 301 Ca 0.06 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 3gcj h GLY 301 CO 0.03 0.43 -0.29 0.00 0.00 0.00 0.00 176.54 176.71 3gcj h ALA 302 N 1.16 0.72 0.09 3.60 0.00 -1.03 -2.20 119.26 121.60 3gcj h ALA 302 Ca 0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3gcj h ALA 302 Cb 0.96 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3gcj h ALA 302 CO 0.08 0.66 -0.04 0.35 0.00 0.00 0.00 179.25 180.30 3gcj h PHE 303 N 0.74 -0.11 -0.94 0.00 3.57 -1.01 0.46 116.94 119.64 3gcj h PHE 303 Ca 0.08 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3gcj h PHE 303 Cb 0.85 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 3gcj h PHE 303 CO 0.05 -0.05 0.57 0.82 -2.23 0.00 0.00 178.31 177.47 3gcj h ILE 304 N -0.14 1.26 -0.50 1.41 2.04 -1.40 -1.35 117.51 118.82 3gcj h ILE 304 Ca -0.01 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 3gcj h ILE 304 Cb 0.11 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 3gcj h ILE 304 CO 0.02 0.27 0.01 1.56 0.00 0.00 0.00 178.15 180.01 3gcj h GLN 305 N 1.30 0.87 -0.13 2.37 4.20 -1.10 -2.28 115.11 120.34 3gcj h GLN 305 Ca 0.34 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3gcj h GLN 305 Cb -0.06 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 3gcj h GLN 305 CO -0.06 0.90 0.00 0.82 -0.67 0.00 0.00 178.83 179.82 3gcj h ILE 306 N 0.74 1.25 -0.55 2.54 2.04 -0.48 -2.16 117.51 120.88 3gcj h ILE 306 Ca 0.14 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 3gcj h ILE 306 Cb 0.50 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3gcj h ILE 306 CO 0.02 0.23 0.08 0.40 0.00 0.00 0.00 178.15 178.89 3gcj h ILE 307 N -0.03 1.24 -0.54 -0.67 1.08 -1.30 0.11 117.51 117.40 3gcj h ILE 307 Ca 0.04 -0.93 -0.08 0.00 -0.39 0.00 0.00 64.86 63.50 3gcj h ILE 307 Cb 0.35 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 3gcj h ILE 307 CO 0.01 0.34 0.03 0.74 -0.69 0.00 0.00 178.15 178.58 3gcj h THR 308 N 0.84 1.26 0.00 -0.27 2.02 -1.35 -0.47 112.91 114.94 3gcj h THR 308 Ca 0.17 -1.06 -0.18 0.00 0.77 0.00 0.00 66.41 66.12 3gcj h THR 308 Cb 0.38 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3gcj h THR 308 CO 0.01 0.38 -2.06 0.49 0.37 0.00 0.00 175.52 174.71 3gcj n PHE 309 N -4.30 0.16 -0.05 3.16 3.01 -0.82 -0.22 117.46 118.40 3gcj n PHE 309 Ca 0.02 0.05 -0.22 0.00 1.01 0.00 0.00 57.45 58.31 3gcj n PHE 309 Cb 0.31 -0.80 -0.13 0.00 -0.01 0.00 0.00 39.48 38.85 3gcj n PHE 309 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3gcj n ARG 310 N -2.56 0.68 -0.10 -1.08 0.63 0.37 -4.61 116.66 109.99 3gcj n ARG 310 Ca -0.17 0.36 -0.12 0.00 -0.92 0.00 0.00 57.85 57.00 3gcj n ARG 310 Cb 0.85 -1.69 -0.10 0.00 0.45 0.00 0.00 32.46 31.96 3gcj n ARG 310 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3gcj n ASP 311 N -3.83 2.01 -0.08 6.15 8.00 -0.72 -4.67 116.55 123.40 3gcj n ASP 311 Ca -0.35 -0.08 -0.16 0.00 0.71 0.00 0.00 54.79 54.92 3gcj n ASP 311 Cb 0.91 0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.93 3gcj n ASP 311 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3gcj h TYR 312 N 0.00 0.00 -0.67 1.24 3.20 -0.96 -3.38 116.97 116.40 3gcj h TYR 312 Ca -0.45 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.35 3gcj h TYR 312 Cb 1.79 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 40.03 3gcj h TYR 312 CO 0.02 1.11 0.16 -0.07 -1.64 0.00 0.00 178.16 177.74 3gcj h LEU 313 N -1.00 1.00 -1.81 2.82 3.38 -0.86 -2.82 115.31 116.03 3gcj h LEU 313 Ca -0.12 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.73 3gcj h LEU 313 Cb 1.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3gcj h LEU 313 CO -0.07 0.96 0.32 -0.65 0.09 0.00 0.00 178.44 179.09 3gcj h PRO 314 N 1.01 0.22 -0.24 1.13 0.11 -1.82 -0.79 132.00 131.62 3gcj h PRO 314 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3gcj h PRO 314 Cb 0.35 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3gcj h PRO 314 CO 0.00 0.14 0.00 0.44 -0.21 0.00 0.00 178.00 178.37 3gcj n ILE 315 N -4.46 0.31 -0.10 4.15 -5.35 -1.07 -1.73 119.36 111.11 3gcj n ILE 315 Ca 0.07 -0.48 -0.14 0.00 -0.27 0.00 0.00 62.75 61.92 3gcj n ILE 315 Cb 0.38 0.60 -0.10 0.00 -1.74 0.00 0.00 39.64 38.78 3gcj n ILE 315 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3gcj n VAL 316 N 0.74 1.21 0.05 7.28 0.31 -0.43 -3.91 118.33 123.58 3gcj n VAL 316 Ca 0.17 -0.47 0.08 0.00 -0.01 0.00 0.00 64.34 64.11 3gcj n VAL 316 Cb 0.43 -1.22 -0.06 0.00 -0.91 0.00 0.00 33.84 32.07 3gcj n VAL 316 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3gcj n LEU 317 N -3.10 0.63 0.00 7.52 4.32 -0.45 -1.68 117.00 124.24 3gcj n LEU 317 Ca -0.37 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 3gcj n LEU 317 Cb 0.90 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.71 3gcj n LEU 317 CO 0.22 -0.04 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 3gcj n GLY 318 N 1.27 3.34 0.02 -0.72 0.00 -0.71 -1.82 105.19 106.58 3gcj n GLY 318 Ca -0.04 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.82 3gcj n GLY 318 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gcj n SER 319 N 3.20 0.10 0.06 1.61 3.41 -0.80 -1.84 113.62 119.37 3gcj n SER 319 Ca 0.00 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 3gcj n SER 319 Cb 0.00 -0.55 0.36 0.00 -0.26 0.00 0.00 64.21 63.76 3gcj n SER 319 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gcj n GLU 320 N -1.62 0.19 -0.06 4.33 -0.58 -0.76 -4.16 120.64 117.98 3gcj n GLU 320 Ca 0.02 0.11 -0.11 0.00 -0.42 0.00 0.00 57.16 56.77 3gcj n GLU 320 Cb 0.13 -1.68 -0.05 0.00 -0.57 0.00 0.00 31.44 29.28 3gcj n GLU 320 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3gcj h MET 321 N 0.00 -0.38 -0.23 3.49 4.05 -1.46 -1.80 114.93 118.60 3gcj h MET 321 Ca 0.00 0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.46 3gcj h MET 321 Cb 0.67 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 3gcj h MET 321 CO 0.00 -0.25 0.15 1.96 0.23 0.00 0.00 176.91 179.00 3gcj h GLN 322 N -0.40 0.26 -0.10 0.39 4.20 -1.81 -0.43 115.11 117.23 3gcj h GLN 322 Ca 0.11 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 3gcj h GLN 322 Cb 0.60 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3gcj h GLN 322 CO -0.48 0.17 -0.31 -0.22 -0.67 0.00 0.00 178.83 177.32 3gcj h LYS 323 N 0.27 0.18 0.00 1.46 3.64 -1.56 -3.33 116.57 117.23 3gcj h LYS 323 Ca 0.09 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3gcj h LYS 323 Cb 0.03 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3gcj h LYS 323 CO -0.02 0.48 -1.51 0.91 -2.27 0.00 0.00 179.45 177.04 3gcj n TRP 324 N -4.12 0.00 -3.56 1.91 7.02 -1.02 -4.83 117.44 112.84 3gcj n TRP 324 Ca -0.01 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.20 3gcj n TRP 324 Cb 0.39 -0.28 -0.10 0.00 -2.42 0.00 0.00 31.31 28.90 3gcj n TRP 324 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3gcj n ILE 325 N -1.95 0.51 -0.60 -0.99 5.41 -0.20 -4.63 119.36 116.91 3gcj n ILE 325 Ca -0.04 -4.34 -0.28 0.00 1.00 0.00 0.00 62.75 59.08 3gcj n ILE 325 Cb 0.37 -1.97 0.25 0.00 -0.71 0.00 0.00 39.64 37.58 3gcj n ILE 325 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3gcj s PRO 326 N -1.11 -0.85 0.61 0.38 0.04 -1.25 -4.59 135.00 128.23 3gcj s PRO 326 Ca 0.31 0.80 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 3gcj s PRO 326 Cb 0.05 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.99 3gcj s PRO 326 CO -0.15 -3.67 1.27 -2.30 0.04 0.00 0.00 177.00 172.19 3gcj n PRO 327 N -4.87 1.26 -1.78 0.56 -0.02 -1.26 -4.88 135.00 124.00 3gcj n PRO 327 Ca 0.03 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3gcj n PRO 327 Cb 0.55 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3gcj n PRO 327 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3gcj s TYR 328 N -1.37 2.18 -1.16 6.00 5.04 -1.26 -4.90 117.35 121.88 3gcj s TYR 328 Ca 0.79 0.06 0.16 0.00 -2.44 0.00 0.00 57.07 55.64 3gcj s TYR 328 Cb -0.40 -4.11 -0.09 0.00 0.35 0.00 0.00 41.96 37.72 3gcj s TYR 328 CO 0.44 -4.57 0.78 1.04 -1.34 0.00 0.00 175.55 171.90 3gcj n GLN 329 N 5.78 1.68 0.00 4.97 1.13 -1.26 -5.10 117.38 124.58 3gcj n GLN 329 Ca 0.17 -0.43 0.00 0.00 -1.94 0.00 0.00 57.00 54.80 3gcj n GLN 329 Cb 0.39 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.46 3gcj n GLN 329 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gcj n GLY 330 N 1.28 1.84 3.74 1.08 0.00 -1.26 -5.05 105.19 106.82 3gcj n GLY 330 Ca 0.05 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 3gcj n GLY 330 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gcj s TYR 331 N -1.58 3.20 -0.27 1.61 5.04 -1.26 -4.88 117.35 119.20 3gcj s TYR 331 Ca 0.00 1.17 0.03 0.00 -2.44 0.00 0.00 57.07 55.83 3gcj s TYR 331 Cb 0.00 -3.66 0.07 0.00 0.35 0.00 0.00 41.96 38.72 3gcj s TYR 331 CO 0.00 -2.07 -0.06 1.21 -1.34 0.00 0.00 175.55 173.29 3gcj s ASN 332 N 0.34 4.39 0.01 4.32 3.84 -0.43 -5.00 114.94 122.41 3gcj s ASN 332 Ca 0.57 -1.53 0.14 0.00 0.21 0.00 0.00 52.86 52.25 3gcj s ASN 332 Cb -0.38 -1.47 0.58 0.00 -0.55 0.00 0.00 41.25 39.43 3gcj s ASN 332 CO 0.39 -0.25 1.43 -0.46 -2.79 0.00 0.00 177.10 175.43 3gcj n ASN 333 N 4.45 0.01 -0.04 -4.21 2.04 -1.26 -2.72 115.26 113.53 3gcj n ASN 333 Ca -0.09 0.50 0.13 0.00 -0.44 0.00 0.00 54.58 54.68 3gcj n ASN 333 Cb 0.42 -0.51 0.34 0.00 -2.53 0.00 0.00 39.78 37.51 3gcj n ASN 333 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 3gcj n SER 334 N -1.52 0.51 -4.72 0.53 7.64 -1.26 -4.88 113.62 109.92 3gcj n SER 334 Ca 0.03 -0.26 -0.41 0.00 1.01 0.00 0.00 58.87 59.24 3gcj n SER 334 Cb 0.16 0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 3gcj n SER 334 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gcj s VAL 335 N -2.90 4.89 -0.34 0.44 1.01 -1.10 -5.02 120.40 117.39 3gcj s VAL 335 Ca 0.14 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 63.60 3gcj s VAL 335 Cb 0.18 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3gcj s VAL 335 CO 0.64 0.23 1.25 -0.62 0.00 0.00 0.00 175.10 176.61 3gcj s ASP 336 N 0.72 6.67 0.00 3.32 2.15 -1.26 -4.64 116.67 123.62 3gcj s ASP 336 Ca 0.44 1.03 0.27 0.00 0.43 0.00 0.00 52.55 54.73 3gcj s ASP 336 Cb -0.20 -2.54 0.95 0.00 -0.30 0.00 0.00 42.92 40.83 3gcj s ASP 336 CO 0.24 -1.11 1.70 -0.81 -0.17 0.00 0.00 175.17 175.01 3gcj n PRO 337 N 7.41 0.43 -1.84 4.34 -0.04 -1.26 -4.72 135.00 139.31 3gcj n PRO 337 Ca 0.14 -0.19 -0.40 0.00 -0.04 0.00 0.00 63.50 63.01 3gcj n PRO 337 Cb 0.47 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 3gcj n PRO 337 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gcj s ARG 338 N -2.70 3.88 0.10 0.54 0.52 -1.26 -4.55 118.95 115.48 3gcj s ARG 338 Ca 0.21 2.43 -0.30 0.00 -0.52 0.00 0.00 55.73 57.55 3gcj s ARG 338 Cb 0.19 -2.78 -0.06 0.00 0.52 0.00 0.00 34.95 32.82 3gcj s ARG 338 CO 0.55 -0.67 1.10 0.42 0.02 0.00 0.00 175.30 176.72 3gcj s ILE 339 N -1.18 4.16 0.52 1.52 -1.09 -1.26 -4.80 121.20 119.07 3gcj s ILE 339 Ca 0.57 1.68 -0.11 0.00 -2.23 0.00 0.00 60.65 60.57 3gcj s ILE 339 Cb -0.44 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.31 3gcj s ILE 339 CO 0.58 0.20 0.91 -0.94 -1.23 0.00 0.00 174.94 174.46 3gcj s SER 340 N 0.50 6.39 0.15 3.58 1.04 -1.26 -1.91 113.70 122.18 3gcj s SER 340 Ca 0.53 1.28 -0.17 0.00 0.48 0.00 0.00 55.95 58.07 3gcj s SER 340 Cb -0.27 -2.40 0.02 0.00 0.10 0.00 0.00 66.02 63.47 3gcj s SER 340 CO 0.31 -0.64 1.77 -1.13 0.98 0.00 0.00 173.24 174.53 3gcj h ASN 341 N 0.42 0.22 0.01 7.02 -0.73 -1.37 -2.78 115.58 118.37 3gcj h ASN 341 Ca -0.46 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 57.70 3gcj h ASN 341 Cb 1.19 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.75 3gcj h ASN 341 CO 0.62 0.17 -0.06 1.62 -0.37 0.00 0.00 177.43 179.41 3gcj h VAL 342 N 0.32 1.10 -0.99 2.57 3.04 -1.94 -2.49 116.25 117.85 3gcj h VAL 342 Ca 0.14 -0.42 0.05 0.00 -1.01 0.00 0.00 66.70 65.45 3gcj h VAL 342 Cb 0.06 1.10 -0.06 0.00 -2.01 0.00 0.00 31.29 30.38 3gcj h VAL 342 CO -0.10 0.13 0.65 0.15 -1.01 0.00 0.00 177.57 177.39 3gcj h PHE 343 N 0.13 1.21 0.00 3.17 3.57 -1.86 0.22 116.94 123.38 3gcj h PHE 343 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3gcj h PHE 343 Cb 0.19 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.53 3gcj h PHE 343 CO 0.00 0.67 0.00 0.25 -2.23 0.00 0.00 178.31 177.00 3gcj n THR 344 N -4.47 1.07 -0.11 4.41 -2.24 -0.94 -0.03 114.28 111.98 3gcj n THR 344 Ca 0.14 0.53 -0.13 0.00 -2.27 0.00 0.00 64.05 62.32 3gcj n THR 344 Cb 0.13 -1.50 -0.12 0.00 -2.10 0.00 0.00 70.33 66.74 3gcj n THR 344 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3gcj n PHE 345 N -2.14 0.00 0.09 4.78 3.01 -0.51 -4.30 117.46 118.39 3gcj n PHE 345 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 3gcj n PHE 345 Cb 0.10 -0.89 0.27 0.00 -0.01 0.00 0.00 39.48 38.94 3gcj n PHE 345 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gcj h ALA 346 N 0.35 1.22 0.00 4.37 0.00 -0.12 -1.66 119.26 123.42 3gcj h ALA 346 Ca -0.51 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3gcj h ALA 346 Cb 1.93 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3gcj h ALA 346 CO -0.04 0.52 0.00 0.34 0.00 0.00 0.00 179.25 180.07 3gcj n PHE 347 N -4.11 0.00 1.56 0.00 -0.00 0.96 -2.90 117.46 112.97 3gcj n PHE 347 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.45 3gcj n PHE 347 Cb 0.40 -0.25 0.02 0.00 -0.00 0.00 0.00 39.48 39.66 3gcj n PHE 347 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3gcj n ARG 348 N -1.25 1.17 0.29 -4.13 1.74 -0.62 -3.43 116.66 110.42 3gcj n ARG 348 Ca 0.12 -0.20 0.17 0.00 -0.77 0.00 0.00 57.85 57.17 3gcj n ARG 348 Cb 0.18 -1.18 0.88 0.00 -1.02 0.00 0.00 32.46 31.31 3gcj n ARG 348 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3gcj h PHE 349 N 0.30 0.00 0.00 -1.55 -5.15 -1.72 -2.39 116.94 106.42 3gcj h PHE 349 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 3gcj h PHE 349 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.39 3gcj h PHE 349 CO 0.05 0.05 -0.05 0.78 -2.00 0.00 0.00 178.31 177.13 3gcj h GLY 350 N 0.80 0.00 2.00 6.09 0.00 -1.87 -2.52 103.07 107.57 3gcj h GLY 350 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3gcj h GLY 350 CO 0.01 0.00 -0.03 0.45 0.00 0.00 0.00 176.54 176.97 3gcj h HIS 351 N 0.00 0.00 -0.07 5.60 3.86 -1.74 0.23 115.15 123.03 3gcj h HIS 351 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gcj h HIS 351 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3gcj h HIS 351 CO 0.00 0.03 0.00 -1.33 0.86 0.00 0.00 177.93 177.49 3gcj n MET 352 N -3.75 1.59 -0.06 2.45 2.81 -0.95 -3.42 117.12 115.78 3gcj n MET 352 Ca -0.03 -0.88 0.08 0.00 -1.81 0.00 0.00 57.70 55.07 3gcj n MET 352 Cb 0.11 -1.44 0.11 0.00 -0.71 0.00 0.00 33.22 31.29 3gcj n MET 352 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3gcj n GLU 353 N 0.08 1.66 -3.18 0.03 1.02 0.07 -4.13 120.64 116.19 3gcj n GLU 353 Ca 0.18 -1.69 -0.39 0.00 -0.02 0.00 0.00 57.16 55.24 3gcj n GLU 353 Cb 0.31 -1.34 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 3gcj n GLU 353 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3gcj s VAL 354 N -1.28 5.07 0.72 2.62 1.01 -1.22 -1.23 120.40 126.10 3gcj s VAL 354 Ca 0.23 1.11 -0.08 0.00 0.00 0.00 0.00 61.98 63.23 3gcj s VAL 354 Cb 0.15 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.68 3gcj s VAL 354 CO 0.21 0.17 1.05 -2.16 0.00 0.00 0.00 175.10 174.38 3gcj s PRO 355 N 1.55 2.24 0.18 2.72 0.04 -1.26 -4.50 135.00 135.96 3gcj s PRO 355 Ca 0.28 -0.09 0.26 0.00 0.04 0.00 0.00 61.00 61.49 3gcj s PRO 355 Cb -0.16 -2.11 0.89 0.00 0.04 0.00 0.00 34.50 33.16 3gcj s PRO 355 CO 0.11 -1.27 1.79 -1.13 0.04 0.00 0.00 177.00 176.54 3gcj n SER 356 N -3.00 0.66 -4.11 6.66 3.41 -1.26 -4.80 113.62 111.18 3gcj n SER 356 Ca 0.08 0.57 -0.11 0.00 -0.26 0.00 0.00 58.87 59.15 3gcj n SER 356 Cb 0.60 -0.74 -0.11 0.00 -0.26 0.00 0.00 64.21 63.70 3gcj n SER 356 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gcj s THR 357 N -3.10 0.54 -0.08 6.66 -4.23 -1.26 -0.47 115.64 113.71 3gcj s THR 357 Ca 0.11 -1.56 0.04 0.00 -1.18 0.00 0.00 61.69 59.10 3gcj s THR 357 Cb 0.13 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.77 3gcj s THR 357 CO 0.57 -0.70 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.05 3gcj s VAL 358 N -2.75 1.78 0.17 2.29 1.01 -0.52 -4.87 120.40 117.51 3gcj s VAL 358 Ca 0.02 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.21 3gcj s VAL 358 Cb -0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3gcj s VAL 358 CO -0.03 0.50 -0.09 -0.44 0.00 0.00 0.00 175.10 175.04 3gcj s SER 359 N 0.26 4.32 -0.12 3.32 0.01 -1.26 -1.50 113.70 118.72 3gcj s SER 359 Ca -0.13 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.61 3gcj s SER 359 Cb -0.16 -0.76 -0.01 0.00 0.21 0.00 0.00 66.02 65.30 3gcj s SER 359 CO 0.06 0.11 -0.17 -0.13 0.41 0.00 0.00 173.24 173.52 3gcj s ARG 360 N -2.75 3.25 0.05 12.44 3.00 -0.94 -4.30 118.95 129.70 3gcj s ARG 360 Ca 0.25 -0.76 0.07 0.00 0.00 0.00 0.00 55.73 55.29 3gcj s ARG 360 Cb -0.09 -2.52 -0.03 0.00 0.00 0.00 0.00 34.95 32.31 3gcj s ARG 360 CO 0.15 0.17 -0.18 -0.51 0.00 0.00 0.00 175.30 174.93 3gcj s LEU 361 N 0.42 2.60 0.91 2.53 1.43 -0.89 -1.60 118.68 124.08 3gcj s LEU 361 Ca -0.13 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 3gcj s LEU 361 Cb -0.17 -1.51 0.20 0.00 0.03 0.00 0.00 46.19 44.74 3gcj s LEU 361 CO 0.06 0.25 1.24 1.51 0.23 0.00 0.00 176.35 179.63 3gcj s ASP 362 N -1.52 3.29 0.65 2.29 1.47 0.11 -4.30 116.67 118.67 3gcj s ASP 362 Ca 0.15 -0.09 0.29 0.00 1.18 0.00 0.00 52.55 54.07 3gcj s ASP 362 Cb -0.10 0.04 1.54 0.00 -0.34 0.00 0.00 42.92 44.06 3gcj s ASP 362 CO 0.06 -2.59 1.88 -0.33 0.68 0.00 0.00 175.17 174.87 3gcj h GLU 363 N -1.36 0.00 -0.54 2.11 5.08 -1.97 1.01 114.58 118.92 3gcj h GLU 363 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3gcj h GLU 363 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3gcj h GLU 363 CO 0.33 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.43 3gcj n ASN 364 N -3.04 3.65 -1.06 1.42 5.03 -1.26 -4.91 115.26 115.09 3gcj n ASN 364 Ca 0.00 -1.99 -0.10 0.00 0.87 0.00 0.00 54.58 53.36 3gcj n ASN 364 Cb 0.46 -0.35 -0.01 0.00 -1.02 0.00 0.00 39.78 38.85 3gcj n ASN 364 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3gcj n TYR 365 N 1.50 -0.36 -3.64 3.10 4.01 0.35 -5.00 117.16 117.13 3gcj n TYR 365 Ca 0.21 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.75 3gcj n TYR 365 Cb 0.60 -2.32 -0.01 0.00 -0.31 0.00 0.00 39.34 37.30 3gcj n TYR 365 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3gcj s GLN 366 N -4.10 3.15 0.24 -0.72 -1.52 -1.24 -4.75 119.66 110.72 3gcj s GLN 366 Ca 0.00 -0.98 -0.29 0.00 -1.95 0.00 0.00 55.36 52.14 3gcj s GLN 366 Cb 0.00 -2.79 -0.15 0.00 -0.22 0.00 0.00 33.01 29.84 3gcj s GLN 366 CO 0.00 0.16 0.89 -2.30 -0.25 0.00 0.00 175.29 173.79 3gcj n PRO 367 N -1.55 0.92 -3.51 2.91 -0.02 -1.26 0.09 135.00 132.57 3gcj n PRO 367 Ca -0.03 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 3gcj n PRO 367 Cb 0.58 -1.61 -0.06 0.00 -0.02 0.00 0.00 33.50 32.39 3gcj n PRO 367 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3gcj s TRP 368 N -0.90 3.56 0.00 6.00 -0.00 -0.63 -4.40 118.94 122.58 3gcj s TRP 368 Ca 0.63 -2.22 0.00 0.00 -0.00 0.00 0.00 56.10 54.51 3gcj s TRP 368 Cb -0.80 -3.54 0.00 0.00 -0.00 0.00 0.00 33.47 29.14 3gcj s TRP 368 CO 0.58 -0.94 0.00 0.41 -0.00 0.00 0.00 176.95 177.00 3gcj n GLY 369 N 3.98 -2.75 0.11 5.86 0.00 -1.26 -4.13 105.19 107.00 3gcj n GLY 369 Ca 0.07 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3gcj n GLY 369 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gcj h PRO 370 N 0.00 0.00 -1.91 1.61 0.13 -2.01 -3.36 132.00 126.46 3gcj h PRO 370 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 3gcj h PRO 370 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 3gcj h PRO 370 CO 0.00 0.43 -0.47 0.39 -0.23 0.00 0.00 178.00 178.12 3gcj n GLU 371 N -3.06 3.43 -0.06 0.86 1.02 -1.26 -4.84 120.64 116.73 3gcj n GLU 371 Ca -0.04 -4.60 -0.09 0.00 -0.02 0.00 0.00 57.16 52.40 3gcj n GLU 371 Cb 0.81 -2.26 0.06 0.00 -0.02 0.00 0.00 31.44 30.03 3gcj n GLU 371 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gcj h ALA 372 N 2.87 0.75 -2.78 0.62 0.00 -1.72 -3.42 119.26 115.58 3gcj h ALA 372 Ca 0.26 -0.44 -0.65 0.00 0.00 0.00 0.00 54.91 54.08 3gcj h ALA 372 Cb 0.65 -0.12 -0.17 0.00 0.00 0.00 0.00 17.79 18.15 3gcj h ALA 372 CO 0.90 0.66 -0.45 -2.00 0.00 0.00 0.00 179.25 178.36 3gcj s GLU 373 N -4.34 3.76 0.18 0.00 2.12 -1.26 -2.20 118.70 116.95 3gcj s GLU 373 Ca -0.09 -0.40 0.10 0.00 0.36 0.00 0.00 54.97 54.94 3gcj s GLU 373 Cb 0.12 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 3gcj s GLU 373 CO 0.85 -0.32 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.55 3gcj s LEU 374 N 1.81 2.63 0.19 2.70 1.43 -0.56 -4.95 118.68 121.93 3gcj s LEU 374 Ca 0.08 -0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 3gcj s LEU 374 Cb -0.17 -1.36 -0.08 0.00 0.03 0.00 0.00 46.19 44.61 3gcj s LEU 374 CO 0.11 0.12 1.17 -2.84 0.23 0.00 0.00 176.35 175.14 3gcj s PRO 375 N -2.67 4.52 0.26 1.29 0.02 -1.26 -1.44 135.00 135.72 3gcj s PRO 375 Ca 0.22 1.85 -0.01 0.00 0.02 0.00 0.00 61.00 63.07 3gcj s PRO 375 Cb -0.08 -3.24 0.58 0.00 0.02 0.00 0.00 34.50 31.77 3gcj s PRO 375 CO 0.12 -0.04 1.68 1.25 -0.33 0.00 0.00 177.00 179.68 3gcj h LEU 376 N 5.08 0.09 -2.94 -5.54 6.46 -1.09 -1.54 115.31 115.84 3gcj h LEU 376 Ca -0.45 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 3gcj h LEU 376 Cb 1.21 0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 41.34 3gcj h LEU 376 CO 0.73 -0.05 0.01 1.12 -0.62 0.00 0.00 178.44 179.64 3gcj h HIS 377 N 0.30 0.00 -0.00 1.25 2.07 -1.83 0.60 115.15 117.54 3gcj h HIS 377 Ca 0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.00 3gcj h HIS 377 Cb 0.87 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.85 3gcj h HIS 377 CO -0.23 0.00 -0.08 0.25 -3.07 0.00 0.00 177.93 174.80 3gcj n THR 378 N -3.12 0.00 0.34 6.12 -2.24 -0.58 -3.64 114.28 111.16 3gcj n THR 378 Ca -0.03 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.78 3gcj n THR 378 Cb 0.08 -0.17 0.13 0.00 -2.10 0.00 0.00 70.33 68.27 3gcj n THR 378 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gcj n LEU 379 N -0.97 2.79 -4.69 3.22 4.77 0.20 -4.78 117.00 117.54 3gcj n LEU 379 Ca 0.15 -1.38 -0.42 0.00 -0.03 0.00 0.00 56.01 54.34 3gcj n LEU 379 Cb 0.26 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3gcj n LEU 379 CO 0.23 0.59 1.05 -0.36 -1.33 0.00 0.00 177.39 177.56 3gcj s PHE 380 N -1.26 3.03 -1.43 -1.77 0.08 -1.24 -2.46 117.98 112.93 3gcj s PHE 380 Ca 0.26 0.98 -0.05 0.00 0.12 0.00 0.00 56.93 58.24 3gcj s PHE 380 Cb 0.16 -3.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.05 3gcj s PHE 380 CO 0.22 -2.03 0.40 1.19 -0.10 0.00 0.00 175.22 174.90 3gcj n PHE 381 N 5.05 -1.71 -3.53 0.36 3.72 0.40 -4.92 117.46 116.82 3gcj n PHE 381 Ca 0.12 0.36 -0.42 0.00 -0.05 0.00 0.00 57.45 57.46 3gcj n PHE 381 Cb 0.44 -3.73 -0.10 0.00 -0.94 0.00 0.00 39.48 35.15 3gcj n PHE 381 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3gcj s ASN 382 N -2.52 5.92 -0.02 4.37 3.84 -1.15 -4.08 114.94 121.29 3gcj s ASN 382 Ca 0.25 -1.00 0.12 0.00 0.21 0.00 0.00 52.86 52.44 3gcj s ASN 382 Cb -0.12 -2.09 -0.19 0.00 -0.55 0.00 0.00 41.25 38.31 3gcj s ASN 382 CO 0.30 -0.44 0.25 0.35 -2.79 0.00 0.00 177.10 174.77 3gcj n THR 383 N 5.08 0.07 0.15 -5.21 -2.24 -1.26 -4.36 114.28 106.50 3gcj n THR 383 Ca -0.11 -0.30 0.04 0.00 -2.27 0.00 0.00 64.05 61.41 3gcj n THR 383 Cb 0.46 0.14 0.45 0.00 -2.10 0.00 0.00 70.33 69.29 3gcj n THR 383 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3gcj h TRP 384 N 0.00 0.18 0.00 4.78 5.08 -1.89 -1.29 115.95 122.81 3gcj h TRP 384 Ca -0.03 -0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.90 3gcj h TRP 384 Cb 0.65 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 26.75 3gcj h TRP 384 CO 0.00 0.27 -0.16 0.00 -1.28 0.00 0.00 178.44 177.27 3gcj h ARG 385 N 0.17 0.00 0.00 0.12 2.47 -1.94 0.20 114.38 115.40 3gcj h ARG 385 Ca 0.04 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 3gcj h ARG 385 Cb 0.27 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3gcj h ARG 385 CO 0.01 0.16 -0.16 0.82 0.56 0.00 0.00 179.97 181.36 3gcj h ILE 386 N 0.00 0.52 -0.44 2.04 2.04 -1.54 -2.38 117.51 117.76 3gcj h ILE 386 Ca -0.00 -1.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 3gcj h ILE 386 Cb 0.46 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3gcj h ILE 386 CO 0.02 0.18 0.08 0.40 0.00 0.00 0.00 178.15 178.82 3gcj h ILE 387 N -1.00 1.21 -0.03 -0.67 5.03 -1.39 -2.04 117.51 118.62 3gcj h ILE 387 Ca -0.03 -0.77 0.00 0.00 -0.12 0.00 0.00 64.86 63.94 3gcj h ILE 387 Cb 0.42 0.79 0.00 0.00 -3.03 0.00 0.00 36.82 35.00 3gcj h ILE 387 CO -0.02 0.28 0.00 0.29 -0.68 0.00 0.00 178.15 178.02 3gcj n LYS 388 N -4.29 0.56 -1.19 2.37 5.02 0.70 -4.73 118.16 116.60 3gcj n LYS 388 Ca 0.03 -1.16 0.02 0.00 -2.02 0.00 0.00 58.31 55.17 3gcj n LYS 388 Cb 0.23 -1.20 0.12 0.00 -0.02 0.00 0.00 35.03 34.15 3gcj n LYS 388 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gcj n ASP 389 N 0.58 1.82 0.00 4.39 2.03 -0.89 -4.97 116.55 119.51 3gcj n ASP 389 Ca 0.06 -3.16 0.00 0.00 0.52 0.00 0.00 54.79 52.22 3gcj n ASP 389 Cb 0.27 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 3gcj n ASP 389 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gcj n GLY 390 N -0.52 1.14 7.00 0.27 0.00 -1.25 -4.92 105.19 106.91 3gcj n GLY 390 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3gcj n GLY 390 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gcj n GLY 391 N -0.11 -0.28 0.00 -0.02 0.00 -0.77 -4.28 105.19 99.74 3gcj n GLY 391 Ca 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 45.07 3gcj n GLY 391 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gcj n ILE 392 N 0.00 0.02 -0.20 -0.61 -5.35 -1.26 -4.41 119.36 107.55 3gcj n ILE 392 Ca 0.00 -0.05 -0.08 0.00 -0.27 0.00 0.00 62.75 62.35 3gcj n ILE 392 Cb 0.00 0.67 0.06 0.00 -1.74 0.00 0.00 39.64 38.62 3gcj n ILE 392 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3gcj h ASP 393 N 0.00 1.01 -0.12 7.28 5.19 -1.97 0.15 116.42 127.95 3gcj h ASP 393 Ca 0.00 -0.27 -0.11 0.00 -0.62 0.00 0.00 57.03 56.03 3gcj h ASP 393 Cb 0.55 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 3gcj h ASP 393 CO 0.00 1.04 -0.28 -0.65 -3.12 0.00 0.00 179.24 176.23 3gcj h PRO 394 N 0.95 0.59 -0.23 3.56 0.11 -1.77 -2.74 132.00 132.48 3gcj h PRO 394 Ca 0.18 -0.25 -0.18 0.00 0.11 0.00 0.00 66.00 65.86 3gcj h PRO 394 Cb 0.52 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3gcj h PRO 394 CO 0.02 0.81 -0.57 -0.07 -0.21 0.00 0.00 178.00 177.99 3gcj h LEU 395 N 0.51 0.89 -0.96 2.35 3.38 -1.61 -2.32 115.31 117.56 3gcj h LEU 395 Ca 0.07 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 3gcj h LEU 395 Cb 0.75 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3gcj h LEU 395 CO 0.06 1.30 0.23 0.58 0.09 0.00 0.00 178.44 180.70 3gcj h VAL 396 N 0.53 1.24 -0.55 1.22 2.07 -0.72 -1.45 116.25 118.59 3gcj h VAL 396 Ca -0.01 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 3gcj h VAL 396 Cb 1.19 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3gcj h VAL 396 CO 0.12 0.31 0.07 0.03 0.02 0.00 0.00 177.57 178.12 3gcj h ARG 397 N 0.95 0.89 -0.78 1.57 3.08 -1.48 -1.91 114.38 116.70 3gcj h ARG 397 Ca 0.22 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3gcj h ARG 397 Cb 0.24 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3gcj h ARG 397 CO -0.01 0.84 0.39 0.78 -1.07 0.00 0.00 179.97 180.90 3gcj h GLY 398 N 1.00 1.20 1.15 0.04 0.00 -1.19 0.64 103.07 105.90 3gcj h GLY 398 Ca 0.17 -0.58 0.06 0.00 0.00 0.00 0.00 47.33 46.97 3gcj h GLY 398 CO 0.01 0.56 0.43 1.41 0.00 0.00 0.00 176.54 178.95 3gcj h LEU 399 N 1.10 0.60 0.20 3.11 3.38 -0.52 0.05 115.31 123.23 3gcj h LEU 399 Ca 0.27 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.90 3gcj h LEU 399 Cb 0.10 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 40.74 3gcj h LEU 399 CO -0.04 0.39 -1.64 -0.07 0.09 0.00 0.00 178.44 177.18 3gcj h LEU 400 N 0.68 0.66 0.00 1.67 3.38 -0.88 -2.46 115.31 118.37 3gcj h LEU 400 Ca 0.28 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3gcj h LEU 400 Cb 0.23 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3gcj h LEU 400 CO -0.09 1.72 -1.07 0.00 0.09 0.00 0.00 178.44 179.09 3gcj n ALA 401 N -2.79 3.17 -2.34 1.53 0.00 0.16 -4.47 120.51 115.77 3gcj n ALA 401 Ca -0.21 -0.37 -0.20 0.00 0.00 0.00 0.00 53.44 52.66 3gcj n ALA 401 Cb 1.08 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3gcj n ALA 401 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3gcj s LYS 402 N -3.25 3.03 0.27 0.00 -0.14 -0.01 -4.85 119.74 114.78 3gcj s LYS 402 Ca 0.02 -0.87 0.07 0.00 -1.36 0.00 0.00 55.97 53.83 3gcj s LYS 402 Cb 0.13 -2.72 -0.03 0.00 -1.68 0.00 0.00 37.83 33.54 3gcj s LYS 402 CO 0.80 -0.13 0.25 0.15 -0.76 0.00 0.00 175.35 175.66 3gcj s LYS 403 N -4.34 2.97 0.85 1.68 1.02 -1.26 -0.41 119.74 120.24 3gcj s LYS 403 Ca 0.48 -1.06 -0.12 0.00 0.02 0.00 0.00 55.97 55.29 3gcj s LYS 403 Cb -0.10 -2.60 0.13 0.00 -0.52 0.00 0.00 37.83 34.74 3gcj s LYS 403 CO 0.34 0.34 1.20 -1.12 -0.92 0.00 0.00 175.35 175.19 3gcj s SER 404 N -3.90 3.96 0.13 2.83 0.01 -0.68 -4.24 113.70 111.81 3gcj s SER 404 Ca 0.35 0.45 -0.16 0.00 1.31 0.00 0.00 55.95 57.90 3gcj s SER 404 Cb -0.08 -0.77 -0.07 0.00 0.21 0.00 0.00 66.02 65.32 3gcj s SER 404 CO 0.26 -2.20 0.56 -0.75 0.41 0.00 0.00 173.24 171.52 3gcj s LYS 405 N -5.63 4.05 0.00 12.44 2.20 -0.37 -0.67 119.74 131.76 3gcj s LYS 405 Ca 0.67 0.57 -0.16 0.00 -0.36 0.00 0.00 55.97 56.69 3gcj s LYS 405 Cb -0.08 -2.99 -0.06 0.00 -1.51 0.00 0.00 37.83 33.19 3gcj s LYS 405 CO 0.50 0.51 0.45 -1.17 -0.36 0.00 0.00 175.35 175.28 3gcj s LEU 406 N -1.77 4.47 0.23 5.43 2.96 0.08 -4.36 118.68 125.72 3gcj s LEU 406 Ca 0.36 1.01 -0.30 0.00 -0.22 0.00 0.00 54.13 54.98 3gcj s LEU 406 Cb -0.16 -2.66 -0.10 0.00 0.50 0.00 0.00 46.19 43.77 3gcj s LEU 406 CO 0.19 0.28 1.39 -0.32 -1.32 0.00 0.00 176.35 176.57 3gcj s MET 407 N -0.90 4.32 -0.02 1.98 -2.45 -1.26 -4.89 119.30 116.08 3gcj s MET 407 Ca 0.25 2.21 0.00 0.00 -1.25 0.00 0.00 55.69 56.90 3gcj s MET 407 Cb -0.17 -3.14 0.03 0.00 1.25 0.00 0.00 34.83 32.80 3gcj s MET 407 CO 0.14 -0.35 0.02 1.21 1.05 0.00 0.00 175.02 177.10 3gcj s ASN 408 N 0.33 0.10 0.57 1.11 3.84 -1.23 -5.03 114.94 114.62 3gcj s ASN 408 Ca 0.58 0.03 0.27 0.00 0.21 0.00 0.00 52.86 53.95 3gcj s ASN 408 Cb -0.40 -0.08 1.67 0.00 -0.55 0.00 0.00 41.25 41.90 3gcj s ASN 408 CO 0.41 -0.11 2.21 1.56 -2.79 0.00 0.00 177.10 178.38 3gcj h GLN 409 N 7.19 0.00 0.00 0.43 4.20 -1.93 -1.53 115.11 123.46 3gcj h GLN 409 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 3gcj h GLN 409 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3gcj h GLN 409 CO 0.48 0.02 -1.09 -0.25 -0.67 0.00 0.00 178.83 177.32 3gcj n ASP 410 N -3.94 0.60 -3.45 1.46 8.00 -1.26 -4.65 116.55 113.30 3gcj n ASP 410 Ca -0.03 -0.10 -0.27 0.00 0.71 0.00 0.00 54.79 55.10 3gcj n ASP 410 Cb 0.11 0.83 -0.10 0.00 -0.02 0.00 0.00 41.12 41.93 3gcj n ASP 410 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gcj n LYS 411 N -2.10 0.41 -0.07 -1.24 5.02 -0.59 -4.74 118.16 114.86 3gcj n LYS 411 Ca 0.01 -3.34 -0.09 0.00 -2.02 0.00 0.00 58.31 52.86 3gcj n LYS 411 Cb 0.47 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.66 3gcj n LYS 411 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3gcj h MET 412 N 5.55 0.00 -4.35 1.97 2.86 -1.54 -3.26 114.93 116.16 3gcj h MET 412 Ca 0.25 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.45 3gcj h MET 412 Cb 0.89 0.00 -0.33 0.00 0.06 0.00 0.00 31.60 32.22 3gcj h MET 412 CO 0.42 0.58 -0.79 0.08 1.06 0.00 0.00 176.91 178.26 3gcj s VAL 413 N -2.00 0.78 0.51 -2.22 1.01 -1.02 -4.21 120.40 113.25 3gcj s VAL 413 Ca -0.13 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 3gcj s VAL 413 Cb -0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.58 3gcj s VAL 413 CO 0.41 0.26 1.30 0.28 0.00 0.00 0.00 175.10 177.36 3gcj s THR 414 N 0.59 2.39 0.66 3.92 -1.32 -1.26 -4.58 115.64 116.04 3gcj s THR 414 Ca -0.10 0.30 0.42 0.00 -1.21 0.00 0.00 61.69 61.10 3gcj s THR 414 Cb -0.13 -3.15 0.43 0.00 -1.51 0.00 0.00 72.50 68.13 3gcj s THR 414 CO 0.01 0.00 2.33 0.28 -2.21 0.00 0.00 174.62 175.04 3gcj h SER 415 N 1.71 0.00 0.03 8.08 0.02 -1.95 0.11 113.55 121.56 3gcj h SER 415 Ca -0.50 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 3gcj h SER 415 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3gcj h SER 415 CO 0.58 0.00 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.86 3gcj h GLU 416 N 0.00 0.13 0.00 3.45 4.39 -1.93 0.05 114.58 120.67 3gcj h GLU 416 Ca 0.00 -0.02 -0.34 0.00 0.34 0.00 0.00 59.36 59.34 3gcj h GLU 416 Cb 0.04 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.60 3gcj h GLU 416 CO -0.00 0.23 -2.27 1.28 -1.16 0.00 0.00 179.01 177.09 3gcj n LEU 417 N -4.36 0.07 0.19 1.33 4.77 -0.08 -3.47 117.00 115.45 3gcj n LEU 417 Ca -0.01 -0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.05 3gcj n LEU 417 Cb 0.20 0.42 0.11 0.00 -2.33 0.00 0.00 43.42 41.83 3gcj n LEU 417 CO 0.36 0.47 0.65 -0.09 -1.33 0.00 0.00 177.39 177.45 3gcj h ARG 418 N 0.00 0.00 0.00 3.23 2.43 -0.72 -1.45 114.38 117.87 3gcj h ARG 418 Ca -0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3gcj h ARG 418 Cb 2.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.68 3gcj h ARG 418 CO 0.02 0.15 -0.55 0.09 -1.51 0.00 0.00 179.97 178.18 3gcj n ASN 419 N -3.11 2.74 -0.68 -3.80 3.02 -0.02 -4.08 115.26 109.31 3gcj n ASN 419 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.62 3gcj n ASN 419 Cb 0.60 0.45 0.20 0.00 -0.61 0.00 0.00 39.78 40.41 3gcj n ASN 419 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3gcj n LYS 420 N -1.00 1.80 -2.16 3.52 5.02 -1.04 -3.49 118.16 120.81 3gcj n LYS 420 Ca 0.00 -3.02 -0.41 0.00 -2.02 0.00 0.00 58.31 52.86 3gcj n LYS 420 Cb 0.10 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.40 3gcj n LYS 420 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3gcj s LEU 421 N -3.09 4.43 -0.18 -0.35 2.96 -0.51 -4.31 118.68 117.63 3gcj s LEU 421 Ca 0.39 2.60 -0.07 0.00 -0.22 0.00 0.00 54.13 56.83 3gcj s LEU 421 Cb 0.35 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 3gcj s LEU 421 CO -0.00 -0.51 0.04 0.12 -1.32 0.00 0.00 176.35 174.68 3gcj s PHE 422 N -0.79 3.19 -0.19 5.38 5.36 -1.26 -0.77 117.98 128.90 3gcj s PHE 422 Ca 0.51 -0.05 -0.08 0.00 -0.96 0.00 0.00 56.93 56.35 3gcj s PHE 422 Cb -0.39 -2.07 -0.04 0.00 -0.34 0.00 0.00 43.02 40.18 3gcj s PHE 422 CO 0.48 0.07 0.08 -0.65 -1.46 0.00 0.00 175.22 173.74 3gcj s GLN 423 N 0.49 4.03 0.56 10.12 -1.52 -1.26 -4.98 119.66 127.09 3gcj s GLN 423 Ca 0.02 -0.31 0.33 0.00 -1.95 0.00 0.00 55.36 53.45 3gcj s GLN 423 Cb -0.13 -3.26 1.48 0.00 -0.22 0.00 0.00 33.01 30.87 3gcj s GLN 423 CO 0.01 0.29 1.81 -1.00 -0.25 0.00 0.00 175.29 176.14 3gcj h PRO 424 N 6.67 0.00 0.00 2.91 0.13 -1.98 -1.02 132.00 138.71 3gcj h PRO 424 Ca -0.38 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3gcj h PRO 424 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3gcj h PRO 424 CO 0.72 0.00 -0.82 1.15 -0.23 0.00 0.00 178.00 178.82 3gcj h THR 425 N 0.00 0.01 -0.82 1.56 2.02 -2.01 -3.42 112.91 110.25 3gcj h THR 425 Ca 0.45 -1.02 -0.63 0.00 0.77 0.00 0.00 66.41 65.98 3gcj h THR 425 Cb 1.95 1.60 -0.11 0.00 -1.74 0.00 0.00 68.15 69.85 3gcj h THR 425 CO -0.00 0.01 -0.48 -1.00 0.37 0.00 0.00 175.52 174.41 3gcj s HIS 426 N -3.33 2.05 -0.59 3.16 3.76 -0.39 -5.09 115.29 114.85 3gcj s HIS 426 Ca 0.01 -0.82 0.07 0.00 -0.15 0.00 0.00 55.06 54.16 3gcj s HIS 426 Cb 0.09 -1.76 0.20 0.00 1.11 0.00 0.00 32.58 32.21 3gcj s HIS 426 CO 0.77 0.11 1.16 0.36 -0.85 0.00 0.00 174.74 176.29 3gcj n LYS 427 N -1.32 2.92 -4.21 1.40 2.85 -1.26 -4.58 118.16 113.96 3gcj n LYS 427 Ca -0.10 -1.86 -0.29 0.00 -1.05 0.00 0.00 58.31 55.01 3gcj n LYS 427 Cb 0.66 -1.18 -0.09 0.00 -0.65 0.00 0.00 35.03 33.77 3gcj n LYS 427 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 3gcj s ILE 428 N -1.01 3.48 -1.21 0.58 -4.36 -1.26 -5.01 121.20 112.41 3gcj s ILE 428 Ca 0.15 -1.29 -0.08 0.00 -0.26 0.00 0.00 60.65 59.18 3gcj s ILE 428 Cb 0.08 -2.66 0.21 0.00 1.25 0.00 0.00 42.46 41.34 3gcj s ILE 428 CO 0.10 0.06 1.74 1.41 0.24 0.00 0.00 174.94 178.50 3gcj n HIS 429 N 0.52 2.76 -2.33 1.37 8.25 -1.26 -4.41 115.22 120.11 3gcj n HIS 429 Ca -0.12 -2.73 0.02 0.00 -0.26 0.00 0.00 57.72 54.62 3gcj n HIS 429 Cb 0.53 -1.73 0.00 0.00 1.12 0.00 0.00 29.99 29.92 3gcj n HIS 429 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gcj n GLY 430 N 2.34 0.85 3.97 -1.41 0.00 -1.06 -4.36 105.19 105.52 3gcj n GLY 430 Ca 0.35 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 3gcj n GLY 430 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gcj s PHE 431 N 0.00 3.02 -0.32 1.61 0.40 0.05 -4.76 117.98 117.98 3gcj s PHE 431 Ca 0.22 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 3gcj s PHE 431 Cb 0.26 -2.41 0.09 0.00 0.51 0.00 0.00 43.02 41.47 3gcj s PHE 431 CO -0.11 -0.48 0.04 0.34 0.70 0.00 0.00 175.22 175.71 3gcj s ASP 432 N -4.30 4.48 0.40 1.36 -1.08 -1.26 -1.42 116.67 114.85 3gcj s ASP 432 Ca 0.52 -1.88 0.10 0.00 -0.52 0.00 0.00 52.55 50.77 3gcj s ASP 432 Cb -0.10 -1.40 0.90 0.00 -1.46 0.00 0.00 42.92 40.86 3gcj s ASP 432 CO 0.36 -0.36 1.98 0.25 0.52 0.00 0.00 175.17 177.92 3gcj h LEU 433 N 7.77 0.50 -0.23 -1.34 5.85 -1.50 -1.22 115.31 125.14 3gcj h LEU 433 Ca -0.09 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3gcj h LEU 433 Cb 1.03 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3gcj h LEU 433 CO 0.49 0.31 0.02 0.00 -0.34 0.00 0.00 178.44 178.93 3gcj h ALA 434 N 1.67 0.31 -0.23 1.25 0.00 -1.90 0.05 119.26 120.41 3gcj h ALA 434 Ca 0.28 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3gcj h ALA 434 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3gcj h ALA 434 CO -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 179.25 178.89 3gcj h ALA 435 N 0.83 1.10 -0.45 0.00 0.00 -1.73 -1.83 119.26 117.18 3gcj h ALA 435 Ca 0.07 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3gcj h ALA 435 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3gcj h ALA 435 CO 0.01 0.56 -0.02 0.82 0.00 0.00 0.00 179.25 180.61 3gcj h ILE 436 N 0.39 1.26 -0.32 0.00 5.03 -1.02 -0.54 117.51 122.33 3gcj h ILE 436 Ca 0.05 -1.09 0.00 0.00 -0.12 0.00 0.00 64.86 63.71 3gcj h ILE 436 Cb 0.69 1.06 -0.02 0.00 -3.03 0.00 0.00 36.82 35.53 3gcj h ILE 436 CO 0.05 0.37 0.20 0.78 -0.68 0.00 0.00 178.15 178.88 3gcj h ASN 437 N 0.66 0.37 -0.35 1.72 -0.26 -0.68 0.19 115.58 117.23 3gcj h ASN 437 Ca 0.13 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 3gcj h ASN 437 Cb 0.53 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.68 3gcj h ASN 437 CO 0.03 0.29 0.18 -0.07 -1.06 0.00 0.00 177.43 176.79 3gcj h LEU 438 N 0.42 0.45 -0.85 1.61 3.38 -1.23 -1.13 115.31 117.95 3gcj h LEU 438 Ca 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gcj h LEU 438 Cb -0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3gcj h LEU 438 CO -0.02 0.43 0.43 -0.61 0.09 0.00 0.00 178.44 178.76 3gcj h GLN 439 N 0.43 1.20 -0.21 1.13 5.75 -0.88 -2.50 115.11 120.04 3gcj h GLN 439 Ca 0.12 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 3gcj h GLN 439 Cb 0.09 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 3gcj h GLN 439 CO -0.02 0.91 -0.19 -0.09 -2.65 0.00 0.00 178.83 176.79 3gcj h ARG 440 N 1.20 0.37 -0.56 1.69 9.65 -0.27 -0.55 114.38 125.91 3gcj h ARG 440 Ca 0.29 -0.11 0.03 0.00 -1.10 0.00 0.00 59.98 59.09 3gcj h ARG 440 Cb 0.08 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.58 3gcj h ARG 440 CO -0.04 0.55 0.32 0.00 2.80 0.00 0.00 179.97 183.61 3gcj h ARG 442 N 0.63 0.70 -0.88 0.00 3.08 -1.31 -2.18 114.38 114.42 3gcj h ARG 442 Ca 0.23 -0.37 0.08 0.00 0.07 0.00 0.00 59.98 59.99 3gcj h ARG 442 Cb 0.06 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 3gcj h ARG 442 CO -0.12 0.99 0.54 0.22 -1.07 0.00 0.00 179.97 180.53 3gcj h ASP 443 N 0.45 0.83 -0.08 7.04 3.58 -0.69 -1.09 116.42 126.46 3gcj h ASP 443 Ca 0.05 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3gcj h ASP 443 Cb 0.86 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.77 3gcj h ASP 443 CO 0.07 0.51 0.00 1.41 -2.88 0.00 0.00 179.24 178.35 3gcj n HIS 444 N -4.64 0.10 -3.51 0.28 8.25 0.48 -4.85 115.22 111.33 3gcj n HIS 444 Ca 0.14 -0.05 -0.22 0.00 -0.26 0.00 0.00 57.72 57.33 3gcj n HIS 444 Cb 0.22 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.41 3gcj n HIS 444 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gcj n GLY 445 N 0.75 -0.44 3.75 -1.41 0.00 -0.41 -4.86 105.19 102.58 3gcj n GLY 445 Ca 0.08 0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 3gcj n GLY 445 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gcj s MET 446 N -6.11 4.60 0.77 1.61 -1.94 -0.84 -0.25 119.30 117.14 3gcj s MET 446 Ca 0.48 1.83 -0.11 0.00 -1.71 0.00 0.00 55.69 56.18 3gcj s MET 446 Cb -0.21 -3.20 0.05 0.00 2.01 0.00 0.00 34.83 33.48 3gcj s MET 446 CO 0.69 0.14 1.09 -2.14 -0.01 0.00 0.00 175.02 174.78 3gcj s PRO 447 N -1.18 2.29 1.13 2.03 0.02 -1.26 -4.68 135.00 133.35 3gcj s PRO 447 Ca 0.46 1.17 -0.17 0.00 0.02 0.00 0.00 61.00 62.48 3gcj s PRO 447 Cb -0.32 -1.90 0.26 0.00 0.02 0.00 0.00 34.50 32.55 3gcj s PRO 447 CO 0.40 -1.62 1.13 0.20 -0.33 0.00 0.00 177.00 176.79 3gcj s GLY 448 N -3.37 1.60 0.24 0.52 0.00 -1.26 -4.53 107.32 100.52 3gcj s GLY 448 Ca 0.61 -0.86 -0.05 0.00 0.00 0.00 0.00 44.72 44.43 3gcj s GLY 448 CO 0.55 -0.05 1.77 -1.82 0.00 0.00 0.00 173.10 173.55 3gcj h TYR 449 N -2.33 0.65 0.00 1.90 3.20 -1.07 -2.52 116.97 116.80 3gcj h TYR 449 Ca -0.47 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.36 3gcj h TYR 449 Cb 1.30 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 3gcj h TYR 449 CO -1.52 0.19 -0.33 -0.91 -1.64 0.00 0.00 178.16 173.95 3gcj h ASN 450 N 0.58 0.00 -0.54 -2.11 2.35 -1.80 -1.67 115.58 112.39 3gcj h ASN 450 Ca 0.39 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.06 3gcj h ASN 450 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 3gcj h ASN 450 CO -0.32 0.33 0.01 0.28 -1.65 0.00 0.00 177.43 176.09 3gcj h SER 451 N 0.00 0.93 0.35 5.81 0.02 -1.79 -1.86 113.55 117.01 3gcj h SER 451 Ca -0.00 -0.30 -0.18 0.00 -0.84 0.00 0.00 61.79 60.47 3gcj h SER 451 Cb 0.93 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3gcj h SER 451 CO 0.04 1.00 -0.73 -0.50 -1.14 0.00 0.00 176.83 175.50 3gcj h TRP 452 N 0.83 0.44 -0.37 3.45 4.06 -1.40 -1.70 115.95 121.26 3gcj h TRP 452 Ca 0.16 -0.20 0.01 0.00 2.06 0.00 0.00 58.89 60.91 3gcj h TRP 452 Cb 0.52 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.59 3gcj h TRP 452 CO 0.04 0.95 0.24 0.00 -3.56 0.00 0.00 178.44 176.10 3gcj h ARG 453 N 0.22 0.47 -0.36 0.49 2.47 -1.19 -1.96 114.38 114.52 3gcj h ARG 453 Ca -0.03 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3gcj h ARG 453 Cb 1.30 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 3gcj h ARG 453 CO 0.12 0.31 0.21 0.78 0.56 0.00 0.00 179.97 181.95 3gcj h GLY 454 N 0.48 0.52 0.44 0.04 0.00 -1.24 0.25 103.07 103.56 3gcj h GLY 454 Ca 0.14 -0.22 0.18 0.00 0.00 0.00 0.00 47.33 47.43 3gcj h GLY 454 CO -0.04 0.21 0.57 -2.75 0.00 0.00 0.00 176.54 174.53 3gcj h PHE 455 N 0.46 0.51 -0.46 5.60 3.57 -1.02 1.00 116.94 126.60 3gcj h PHE 455 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3gcj h PHE 455 Cb 0.02 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3gcj h PHE 455 CO -0.04 0.16 0.00 0.00 -2.23 0.00 0.00 178.31 176.20 3gcj n GLY 457 N 1.40 -0.11 3.64 0.00 0.00 0.35 -5.02 105.19 105.44 3gcj n GLY 457 Ca 0.19 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3gcj n GLY 457 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gcj s LEU 458 N -4.45 3.24 0.77 0.99 1.43 0.79 -5.00 118.68 116.46 3gcj s LEU 458 Ca 0.17 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 3gcj s LEU 458 Cb -0.08 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.22 3gcj s LEU 458 CO 0.21 0.12 0.85 -1.54 0.23 0.00 0.00 176.35 176.23 3gcj n SER 459 N 0.19 -0.10 -3.90 2.29 3.41 -1.26 -3.91 113.62 110.33 3gcj n SER 459 Ca -0.11 0.58 -0.30 0.00 -0.26 0.00 0.00 58.87 58.78 3gcj n SER 459 Cb 0.54 -1.36 -0.15 0.00 -0.26 0.00 0.00 64.21 62.98 3gcj n SER 459 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3gcj s GLN 460 N -3.44 1.36 0.26 4.33 -0.21 -1.26 -4.78 119.66 115.92 3gcj s GLN 460 Ca 0.69 -1.84 -0.31 0.00 0.02 0.00 0.00 55.36 53.93 3gcj s GLN 460 Cb -0.31 -2.84 -0.12 0.00 1.00 0.00 0.00 33.01 30.74 3gcj s GLN 460 CO 0.54 -1.01 1.64 -0.35 -2.12 0.00 0.00 175.29 174.00 3gcj n PRO 461 N 4.11 2.73 -0.02 2.91 -0.04 -1.26 -4.91 135.00 138.52 3gcj n PRO 461 Ca 0.03 0.98 0.02 0.00 -0.04 0.00 0.00 63.50 64.49 3gcj n PRO 461 Cb 0.39 -2.78 -0.08 0.00 -0.04 0.00 0.00 33.50 30.98 3gcj n PRO 461 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3gcj n LYS 462 N 2.79 0.98 -4.42 0.54 4.76 -1.26 -4.59 118.16 116.96 3gcj n LYS 462 Ca 0.11 -0.07 -0.27 0.00 -2.87 0.00 0.00 58.31 55.21 3gcj n LYS 462 Cb 0.36 -1.26 -0.09 0.00 -1.84 0.00 0.00 35.03 32.20 3gcj n LYS 462 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3gcj s THR 463 N -2.60 1.97 0.10 -0.18 -4.23 -1.26 -4.61 115.64 104.82 3gcj s THR 463 Ca -0.04 -1.86 -0.23 0.00 -1.18 0.00 0.00 61.69 58.37 3gcj s THR 463 Cb 0.06 -2.83 -0.12 0.00 1.34 0.00 0.00 72.50 70.95 3gcj s THR 463 CO 0.45 0.00 1.72 0.25 -0.54 0.00 0.00 174.62 176.50 3gcj h LEU 464 N 1.53 -0.14 -1.44 4.79 6.46 -1.97 0.59 115.31 125.13 3gcj h LEU 464 Ca -0.43 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.34 3gcj h LEU 464 Cb 1.26 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.22 3gcj h LEU 464 CO 0.75 -0.08 0.29 0.50 -0.62 0.00 0.00 178.44 179.28 3gcj h LYS 465 N -0.10 0.67 -0.36 1.25 1.63 -1.96 0.90 116.57 118.59 3gcj h LYS 465 Ca 0.01 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.67 3gcj h LYS 465 Cb 0.12 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3gcj h LYS 465 CO -0.04 0.48 -0.13 0.78 -3.45 0.00 0.00 179.45 177.09 3gcj h GLY 466 N 0.73 0.78 2.00 5.01 0.00 -1.81 -2.70 103.07 107.08 3gcj h GLY 466 Ca 0.18 -0.67 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 3gcj h GLY 466 CO -0.03 0.61 -0.39 -2.00 0.00 0.00 0.00 176.54 174.73 3gcj h LEU 467 N 0.51 0.00 -0.44 3.11 5.85 0.33 -2.63 115.31 122.04 3gcj h LEU 467 Ca 0.09 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3gcj h LEU 467 Cb 0.65 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3gcj h LEU 467 CO 0.04 0.39 -0.06 1.56 -0.34 0.00 0.00 178.44 180.04 3gcj h GLN 468 N 0.00 0.83 -0.49 1.25 4.20 -0.77 -1.29 115.11 118.83 3gcj h GLN 468 Ca -0.00 -0.29 -0.10 0.00 0.06 0.00 0.00 58.65 58.31 3gcj h GLN 468 Cb 0.74 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3gcj h GLN 468 CO 0.05 0.92 -0.09 1.15 -0.67 0.00 0.00 178.83 180.19 3gcj h THR 469 N 0.66 1.26 -0.05 -0.54 2.02 -1.23 1.12 112.91 116.16 3gcj h THR 469 Ca 0.12 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 3gcj h THR 469 Cb 0.58 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3gcj h THR 469 CO 0.03 0.41 -0.12 0.58 0.37 0.00 0.00 175.52 176.80 3gcj h VAL 470 N 0.80 1.44 0.00 3.16 2.07 -1.42 -3.22 116.25 119.08 3gcj h VAL 470 Ca 0.14 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 3gcj h VAL 470 Cb 0.60 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3gcj h VAL 470 CO 0.04 0.41 -0.05 -0.07 0.02 0.00 0.00 177.57 177.92 3gcj h LEU 471 N -0.37 0.00 0.28 2.57 4.07 -1.21 -3.42 115.31 117.22 3gcj h LEU 471 Ca -0.00 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.55 3gcj h LEU 471 Cb 0.73 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.50 3gcj h LEU 471 CO 0.03 0.05 -0.63 0.29 -1.08 0.00 0.00 178.44 177.09 3gcj n LYS 472 N -3.12 -5.19 -3.50 1.13 5.02 0.38 -4.45 118.16 108.43 3gcj n LYS 472 Ca 0.03 0.75 -0.12 0.00 -2.02 0.00 0.00 58.31 56.95 3gcj n LYS 472 Cb 0.47 -5.62 -0.10 0.00 -0.02 0.00 0.00 35.03 29.76 3gcj n LYS 472 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3gcj s ASN 473 N -2.90 0.43 0.03 4.39 3.84 -1.06 -5.03 114.94 114.64 3gcj s ASN 473 Ca 0.43 0.34 -0.25 0.00 0.21 0.00 0.00 52.86 53.59 3gcj s ASN 473 Cb -0.20 0.90 -0.17 0.00 -0.55 0.00 0.00 41.25 41.22 3gcj s ASN 473 CO 0.53 -0.28 1.41 0.11 -2.79 0.00 0.00 177.10 176.08 3gcj h LYS 474 N 8.23 -0.24 0.00 0.43 1.57 -1.93 -2.78 116.57 121.85 3gcj h LYS 474 Ca -0.17 0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.49 3gcj h LYS 474 Cb 1.14 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3gcj h LYS 474 CO 0.22 0.03 -0.65 -0.84 -0.57 0.00 0.00 179.45 177.64 3gcj h ILE 475 N -0.51 1.40 -0.12 1.86 3.07 -1.98 -3.19 117.51 118.04 3gcj h ILE 475 Ca -0.03 -2.27 -0.03 0.00 1.55 0.00 0.00 64.86 64.08 3gcj h ILE 475 Cb 0.39 2.25 -0.00 0.00 -0.27 0.00 0.00 36.82 39.18 3gcj h ILE 475 CO 0.04 0.64 -0.03 0.25 -1.05 0.00 0.00 178.15 178.00 3gcj h LEU 476 N 0.00 0.23 0.00 0.16 5.85 -1.97 -1.62 115.31 117.96 3gcj h LEU 476 Ca -0.01 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3gcj h LEU 476 Cb 1.20 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3gcj h LEU 476 CO 0.08 0.55 0.02 0.00 -0.34 0.00 0.00 178.44 178.76 3gcj n ALA 477 N -2.34 1.00 0.00 1.25 0.00 -1.05 -1.33 120.51 118.04 3gcj n ALA 477 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3gcj n ALA 477 Cb 0.25 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3gcj n ALA 477 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3gcj n LYS 478 N -1.43 1.92 -0.16 0.00 4.81 -1.11 -2.67 118.16 119.52 3gcj n LYS 478 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 3gcj n LYS 478 Cb 0.02 -0.84 0.01 0.00 0.02 0.00 0.00 35.03 34.24 3gcj n LYS 478 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3gcj h LYS 479 N 0.00 0.64 -0.54 1.64 1.57 -1.01 -2.90 116.57 115.96 3gcj h LYS 479 Ca 0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3gcj h LYS 479 Cb 0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3gcj h LYS 479 CO 0.00 0.48 0.29 -0.07 -0.57 0.00 0.00 179.45 179.57 3gcj h LEU 480 N 0.62 0.68 -0.59 2.94 4.07 -1.33 -2.44 115.31 119.25 3gcj h LEU 480 Ca 0.17 -0.10 -0.09 0.00 0.08 0.00 0.00 57.88 57.94 3gcj h LEU 480 Cb 0.01 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 3gcj h LEU 480 CO -0.03 0.58 0.02 0.24 -1.08 0.00 0.00 178.44 178.18 3gcj h MET 481 N 0.72 1.03 -0.05 1.13 2.86 -1.60 -0.82 114.93 118.19 3gcj h MET 481 Ca 0.19 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3gcj h MET 481 Cb 0.06 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3gcj h MET 481 CO -0.03 1.00 -0.18 -0.44 1.06 0.00 0.00 176.91 178.33 3gcj h ASP 482 N 0.92 0.07 0.24 1.22 3.32 -1.28 0.64 116.42 121.54 3gcj h ASP 482 Ca 0.17 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 56.86 3gcj h ASP 482 Cb 0.53 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3gcj h ASP 482 CO 0.03 0.26 -1.85 -0.07 -1.72 0.00 0.00 179.24 175.88 3gcj h LEU 483 N 0.07 0.39 0.00 1.55 3.38 -1.31 -3.41 115.31 115.97 3gcj h LEU 483 Ca 0.01 -0.75 -0.20 0.00 0.09 0.00 0.00 57.88 57.03 3gcj h LEU 483 Cb 0.36 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3gcj h LEU 483 CO 0.02 1.66 -2.19 -1.22 0.09 0.00 0.00 178.44 176.80 3gcj n TYR 484 N -3.43 0.00 -0.66 1.13 4.01 -0.33 -4.14 117.16 113.74 3gcj n TYR 484 Ca -0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 3gcj n TYR 484 Cb 1.05 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 3gcj n TYR 484 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3gcj n LYS 485 N -2.52 0.00 -3.65 -0.72 4.76 0.22 -4.80 118.16 111.46 3gcj n LYS 485 Ca -0.20 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.24 3gcj n LYS 485 Cb 0.89 -3.71 -0.06 0.00 -1.84 0.00 0.00 35.03 30.30 3gcj n LYS 485 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3gcj s THR 486 N -2.13 0.00 -0.03 -0.18 -1.32 -1.26 -5.02 115.64 105.70 3gcj s THR 486 Ca 0.00 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.74 3gcj s THR 486 Cb 0.00 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.25 3gcj s THR 486 CO 0.00 0.00 1.78 -0.65 -2.21 0.00 0.00 174.62 173.54 3gcj h PRO 487 N 4.75 0.00 0.00 7.08 0.11 -1.81 -1.34 132.00 140.78 3gcj h PRO 487 Ca -0.27 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 3gcj h PRO 487 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3gcj h PRO 487 CO 0.20 0.00 -0.42 -0.44 -0.21 0.00 0.00 178.00 177.13 3gcj h ASP 488 N 0.00 0.00 0.25 -2.05 3.32 -1.94 -3.08 116.42 112.92 3gcj h ASP 488 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gcj h ASP 488 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3gcj h ASP 488 CO 0.00 0.42 -0.25 0.59 -1.72 0.00 0.00 179.24 178.29 3gcj n ASN 489 N -3.76 0.97 -4.67 6.45 4.13 -0.51 -3.93 115.26 113.94 3gcj n ASN 489 Ca -0.01 -0.85 -0.42 0.00 1.68 0.00 0.00 54.58 54.98 3gcj n ASN 489 Cb 0.49 0.12 -0.03 0.00 -1.54 0.00 0.00 39.78 38.82 3gcj n ASN 489 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gcj s ILE 490 N -2.51 3.38 0.33 2.41 1.09 -1.16 -4.85 121.20 119.90 3gcj s ILE 490 Ca 0.24 0.59 -0.29 0.00 -1.10 0.00 0.00 60.65 60.10 3gcj s ILE 490 Cb 0.19 -3.38 -0.12 0.00 -1.06 0.00 0.00 42.46 38.09 3gcj s ILE 490 CO 0.52 -0.04 1.41 0.47 -0.10 0.00 0.00 174.94 177.20 3gcj n ASP 491 N 6.71 3.24 -0.32 3.58 8.00 -1.26 -0.77 116.55 135.72 3gcj n ASP 491 Ca 0.17 1.20 0.00 0.00 0.71 0.00 0.00 54.79 56.87 3gcj n ASP 491 Cb 0.42 -1.54 0.13 0.00 -0.02 0.00 0.00 41.12 40.12 3gcj n ASP 491 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3gcj h ILE 492 N 2.85 1.10 -0.31 0.53 6.09 -1.88 0.25 117.51 126.14 3gcj h ILE 492 Ca -0.47 -0.36 0.04 0.00 -1.37 0.00 0.00 64.86 62.69 3gcj h ILE 492 Cb 1.26 -0.06 -0.04 0.00 0.47 0.00 0.00 36.82 38.45 3gcj h ILE 492 CO 0.67 0.19 0.08 -0.25 -3.07 0.00 0.00 178.15 175.77 3gcj h TRP 493 N 1.06 0.14 0.10 2.19 7.01 -1.90 0.48 115.95 125.03 3gcj h TRP 493 Ca 0.37 0.02 -0.29 0.00 2.11 0.00 0.00 58.89 61.10 3gcj h TRP 493 Cb 0.09 -0.02 0.03 0.00 -2.10 0.00 0.00 29.16 27.16 3gcj h TRP 493 CO -0.02 0.05 -1.21 0.97 -2.79 0.00 0.00 178.44 175.43 3gcj h ILE 494 N 0.20 1.30 -0.08 2.65 -0.00 -1.90 -2.94 117.51 116.74 3gcj h ILE 494 Ca 0.14 -2.47 0.00 0.00 -0.00 0.00 0.00 64.86 62.53 3gcj h ILE 494 Cb 0.14 2.66 -0.00 0.00 -0.00 0.00 0.00 36.82 39.61 3gcj h ILE 494 CO -0.17 0.75 0.05 1.23 -0.00 0.00 0.00 178.15 180.01 3gcj h GLY 495 N 0.43 0.11 1.00 8.18 0.00 -0.74 -1.27 103.07 110.78 3gcj h GLY 495 Ca -0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3gcj h GLY 495 CO 0.23 0.04 0.40 -1.33 0.00 0.00 0.00 176.54 175.89 3gcj h GLY 496 N 0.09 0.99 2.00 4.60 0.00 -0.13 -2.81 103.07 107.81 3gcj h GLY 496 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3gcj h GLY 496 CO -0.01 0.40 0.00 3.43 0.00 0.00 0.00 176.54 180.37 3gcj h ASN 497 N 0.92 0.00 1.26 0.19 4.21 -1.42 -3.18 115.58 117.56 3gcj h ASN 497 Ca 0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.75 3gcj h ASN 497 Cb -0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 3gcj h ASN 497 CO -0.04 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.10 3gcj n ALA 498 N -1.83 2.29 -1.78 -0.83 0.00 -0.49 -4.86 120.51 113.00 3gcj n ALA 498 Ca 0.04 -0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 3gcj n ALA 498 Cb 0.37 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.31 3gcj n ALA 498 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gcj s GLU 499 N -3.06 4.31 0.55 0.00 2.02 -1.20 -4.89 118.70 116.43 3gcj s GLU 499 Ca 0.12 1.47 -0.21 0.00 0.02 0.00 0.00 54.97 56.37 3gcj s GLU 499 Cb 0.15 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 3gcj s GLU 499 CO 0.56 -0.00 1.31 -2.14 0.02 0.00 0.00 175.26 175.01 3gcj s PRO 500 N -2.34 3.12 0.38 0.39 0.02 -1.26 -4.39 135.00 130.92 3gcj s PRO 500 Ca 0.55 2.12 -0.26 0.00 0.02 0.00 0.00 61.00 63.43 3gcj s PRO 500 Cb -0.21 -2.19 -0.09 0.00 0.02 0.00 0.00 34.50 32.03 3gcj s PRO 500 CO 0.27 -1.17 1.19 -1.64 -0.33 0.00 0.00 177.00 175.32 3gcj s MET 501 N -2.98 4.13 0.76 5.54 -1.94 -1.26 -3.97 119.30 119.59 3gcj s MET 501 Ca 0.73 1.92 -0.11 0.00 -1.71 0.00 0.00 55.69 56.52 3gcj s MET 501 Cb -0.38 -2.78 0.05 0.00 2.01 0.00 0.00 34.83 33.73 3gcj s MET 501 CO 0.44 -0.27 1.08 0.14 -0.01 0.00 0.00 175.02 176.40 3gcj s VAL 502 N -1.34 3.47 0.19 -6.03 -7.23 -0.14 -4.89 120.40 104.42 3gcj s VAL 502 Ca 0.55 0.48 -0.33 0.00 -1.81 0.00 0.00 61.98 60.87 3gcj s VAL 502 Cb -0.33 -3.07 -0.13 0.00 0.56 0.00 0.00 36.38 33.41 3gcj s VAL 502 CO 0.42 -0.63 1.57 1.21 -0.31 0.00 0.00 175.10 177.36 3gcj n GLU 503 N -3.42 2.23 -1.06 4.82 2.13 -1.26 -1.88 120.64 122.20 3gcj n GLU 503 Ca 0.08 0.80 -0.02 0.00 0.66 0.00 0.00 57.16 58.68 3gcj n GLU 503 Cb 0.54 -2.56 -0.01 0.00 0.27 0.00 0.00 31.44 29.68 3gcj n GLU 503 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3gcj n ARG 504 N 3.19 -1.68 -1.39 5.31 5.12 -1.26 -1.90 116.66 124.05 3gcj n ARG 504 Ca 0.16 0.51 0.00 0.00 -1.93 0.00 0.00 57.85 56.58 3gcj n ARG 504 Cb 0.30 -4.80 0.00 0.00 -1.16 0.00 0.00 32.46 26.80 3gcj n ARG 504 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gcj n GLY 505 N 0.34 5.14 0.18 -0.13 0.00 -0.79 -3.91 105.19 106.03 3gcj n GLY 505 Ca -0.02 -2.16 0.01 0.00 0.00 0.00 0.00 46.02 43.86 3gcj n GLY 505 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gcj n ARG 506 N -0.03 0.61 -4.07 1.61 5.12 -0.68 -4.73 116.66 114.50 3gcj n ARG 506 Ca 0.00 -1.11 -0.09 0.00 -1.93 0.00 0.00 57.85 54.73 3gcj n ARG 506 Cb 0.00 -0.71 -0.09 0.00 -1.16 0.00 0.00 32.46 30.50 3gcj n ARG 506 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3gcj s VAL 507 N -0.54 0.13 0.42 1.55 -7.23 -1.22 -4.96 120.40 108.55 3gcj s VAL 507 Ca 0.04 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.47 3gcj s VAL 507 Cb 0.04 -1.78 0.09 0.00 0.56 0.00 0.00 36.38 35.29 3gcj s VAL 507 CO 0.00 -0.61 0.58 0.61 -0.31 0.00 0.00 175.10 175.37 3gcj n GLY 508 N -0.05 0.06 0.41 2.32 0.00 -1.25 -0.97 105.19 105.70 3gcj n GLY 508 Ca -0.09 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 3gcj n GLY 508 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gcj h PRO 509 N 0.00 -0.56 -0.12 1.61 0.11 -1.92 -0.04 132.00 131.08 3gcj h PRO 509 Ca -0.19 0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.00 3gcj h PRO 509 Cb 0.63 0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.83 3gcj h PRO 509 CO 0.18 -0.37 -0.14 1.25 -0.21 0.00 0.00 178.00 178.71 3gcj h LEU 510 N -0.58 -0.42 -0.71 2.35 5.85 -1.95 -1.48 115.31 118.36 3gcj h LEU 510 Ca 0.05 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3gcj h LEU 510 Cb 0.66 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 3gcj h LEU 510 CO -0.32 -0.18 0.27 -0.07 -0.34 0.00 0.00 178.44 177.80 3gcj h LEU 511 N -0.17 0.99 -0.89 2.25 4.07 -1.81 -1.50 115.31 118.25 3gcj h LEU 511 Ca 0.09 -0.18 0.04 0.00 0.08 0.00 0.00 57.88 57.91 3gcj h LEU 511 Cb 0.30 -0.26 -0.06 0.00 1.08 0.00 0.00 40.66 41.72 3gcj h LEU 511 CO -0.22 0.90 0.57 0.00 -1.08 0.00 0.00 178.44 178.61 3gcj h ALA 512 N 1.13 1.19 0.07 1.53 0.00 -0.70 0.42 119.26 122.90 3gcj h ALA 512 Ca 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gcj h ALA 512 Cb 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gcj h ALA 512 CO -0.02 0.40 -0.03 0.00 0.00 0.00 0.00 179.25 179.60 3gcj h LEU 514 N -0.40 0.50 0.02 0.00 3.38 -0.87 -2.02 115.31 115.91 3gcj h LEU 514 Ca -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3gcj h LEU 514 Cb 0.35 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3gcj h LEU 514 CO 0.02 0.53 -0.01 -0.07 0.09 0.00 0.00 178.44 178.99 3gcj h LEU 515 N 0.44 -0.02 -0.51 1.67 3.38 -0.21 -3.03 115.31 117.02 3gcj h LEU 515 Ca 0.12 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3gcj h LEU 515 Cb 0.19 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3gcj h LEU 515 CO -0.01 0.32 0.15 1.23 0.09 0.00 0.00 178.44 180.22 3gcj h GLY 516 N -0.37 0.66 0.47 0.83 0.00 -0.72 -1.90 103.07 102.04 3gcj h GLY 516 Ca -0.00 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.31 3gcj h GLY 516 CO 0.00 -0.03 -0.10 3.21 0.00 0.00 0.00 176.54 179.62 3gcj h ARG 517 N 0.31 -0.08 -0.08 4.80 3.08 -1.44 -1.64 114.38 119.32 3gcj h ARG 517 Ca 0.25 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.33 3gcj h ARG 517 Cb 0.30 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3gcj h ARG 517 CO -0.29 -0.05 -0.04 0.37 -1.07 0.00 0.00 179.97 178.89 3gcj h GLN 518 N -0.09 -0.03 -0.45 0.04 5.75 -1.34 -0.91 115.11 118.08 3gcj h GLN 518 Ca 0.11 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 3gcj h GLN 518 Cb 0.25 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 3gcj h GLN 518 CO -0.25 -0.02 0.07 0.74 -2.65 0.00 0.00 178.83 176.72 3gcj h PHE 519 N -0.04 0.71 -0.55 3.99 0.04 -1.31 -1.40 116.94 118.38 3gcj h PHE 519 Ca 0.05 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 3gcj h PHE 519 Cb 0.11 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 3gcj h PHE 519 CO -0.16 0.63 0.28 0.37 -0.60 0.00 0.00 178.31 178.83 3gcj h GLN 520 N 0.67 0.79 -0.53 1.51 -0.00 -0.93 -2.53 115.11 114.09 3gcj h GLN 520 Ca 0.15 -0.11 -0.10 0.00 -0.00 0.00 0.00 58.65 58.59 3gcj h GLN 520 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.62 3gcj h GLN 520 CO 0.00 0.64 -0.05 1.96 0.00 0.00 0.00 178.83 181.38 3gcj h GLN 521 N 0.75 0.97 0.00 1.69 4.20 -0.63 -0.51 115.11 121.57 3gcj h GLN 521 Ca 0.19 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3gcj h GLN 521 Cb 0.10 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3gcj h GLN 521 CO -0.03 1.00 0.00 -0.84 -0.67 0.00 0.00 178.83 178.29 3gcj h ILE 522 N 0.84 0.00 0.00 2.54 3.07 -1.19 -0.54 117.51 122.23 3gcj h ILE 522 Ca 0.14 -0.40 -0.11 0.00 1.55 0.00 0.00 64.86 66.05 3gcj h ILE 522 Cb 0.59 1.27 -0.02 0.00 -0.27 0.00 0.00 36.82 38.40 3gcj h ILE 522 CO 0.04 0.00 -0.65 -0.09 -1.05 0.00 0.00 178.15 176.39 3gcj h ARG 523 N 0.00 0.00 0.00 0.16 2.43 -1.25 -3.32 114.38 112.41 3gcj h ARG 523 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3gcj h ARG 523 Cb 0.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3gcj h ARG 523 CO 0.00 0.79 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.46 3gcj h ASP 524 N -1.00 0.00 -0.62 -3.80 5.19 -1.07 -3.03 116.42 112.09 3gcj h ASP 524 Ca -0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 3gcj h ASP 524 Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 3gcj h ASP 524 CO -0.10 0.34 0.00 0.61 -3.12 0.00 0.00 179.24 176.97 3gcj n GLY 525 N -0.41 2.51 3.45 2.75 0.00 -0.21 -1.31 105.19 111.97 3gcj n GLY 525 Ca -0.02 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 3gcj n GLY 525 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gcj s ASP 526 N -0.88 5.93 0.56 1.61 2.15 -1.14 -4.73 116.67 120.17 3gcj s ASP 526 Ca 0.48 -0.75 0.34 0.00 0.43 0.00 0.00 52.55 53.05 3gcj s ASP 526 Cb 0.30 -2.10 1.57 0.00 -0.30 0.00 0.00 42.92 42.39 3gcj s ASP 526 CO 0.24 -0.35 2.07 -0.09 -0.17 0.00 0.00 175.17 176.87 3gcj h ARG 527 N 8.51 0.00 -0.55 4.34 2.43 -1.89 -2.56 114.38 124.66 3gcj h ARG 527 Ca -0.28 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.81 3gcj h ARG 527 Cb 1.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 3gcj h ARG 527 CO 0.68 0.05 0.08 1.19 -1.51 0.00 0.00 179.97 180.45 3gcj n PHE 528 N -3.23 1.93 -1.76 2.20 3.01 -1.26 -4.91 117.46 113.44 3gcj n PHE 528 Ca -0.01 -0.94 -0.41 0.00 1.01 0.00 0.00 57.45 57.10 3gcj n PHE 528 Cb 0.26 -0.53 -0.01 0.00 -0.01 0.00 0.00 39.48 39.19 3gcj n PHE 528 CO 0.00 0.00 0.00 -0.46 1.01 0.00 0.00 176.76 177.31 3gcj s TRP 529 N -2.88 2.69 0.58 1.38 -0.11 -0.97 -4.84 118.94 114.79 3gcj s TRP 529 Ca 0.52 0.84 0.28 0.00 1.22 0.00 0.00 56.10 58.96 3gcj s TRP 529 Cb 0.41 -4.08 1.53 0.00 -1.50 0.00 0.00 33.47 29.82 3gcj s TRP 529 CO 0.13 -3.55 1.98 0.11 -4.62 0.00 0.00 176.95 171.01 3gcj h TRP 530 N 4.43 0.00 -0.01 5.86 5.08 -1.93 -0.86 115.95 128.52 3gcj h TRP 530 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.49 3gcj h TRP 530 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3gcj h TRP 530 CO 0.57 0.00 -0.29 0.39 -1.28 0.00 0.00 178.44 177.83 3gcj n GLU 531 N -3.86 0.91 -2.22 0.12 1.02 -1.26 -4.48 120.64 110.87 3gcj n GLU 531 Ca 0.06 -0.58 -0.43 0.00 -0.02 0.00 0.00 57.16 56.19 3gcj n GLU 531 Cb 0.54 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.45 3gcj n GLU 531 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3gcj s ASN 532 N -2.49 6.77 0.01 1.62 2.47 -0.33 -4.91 114.94 118.08 3gcj s ASN 532 Ca 0.24 1.90 -0.39 0.00 0.42 0.00 0.00 52.86 55.03 3gcj s ASN 532 Cb 0.19 -2.54 -0.19 0.00 -1.45 0.00 0.00 41.25 37.27 3gcj s ASN 532 CO 0.53 -0.88 1.22 -2.65 -3.72 0.00 0.00 177.10 171.59 3gcj n PRO 533 N 6.94 0.48 0.00 0.43 -0.02 -1.26 -1.72 135.00 139.85 3gcj n PRO 533 Ca 0.16 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3gcj n PRO 533 Cb 0.44 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3gcj n PRO 533 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gcj n GLY 534 N 2.07 3.13 0.08 -1.23 0.00 -1.26 -4.90 105.19 103.08 3gcj n GLY 534 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 3gcj n GLY 534 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gcj h VAL 535 N 0.00 1.49 -2.85 1.61 2.07 -1.66 -3.45 116.25 113.45 3gcj h VAL 535 Ca 0.00 -1.54 -0.46 0.00 0.82 0.00 0.00 66.70 65.52 3gcj h VAL 535 Cb 0.00 2.46 -0.15 0.00 -1.52 0.00 0.00 31.29 32.08 3gcj h VAL 535 CO 0.00 0.41 -0.74 -0.36 0.02 0.00 0.00 177.57 176.90 3gcj s PHE 536 N -3.69 1.75 0.72 1.57 0.40 -1.26 -5.12 117.98 112.36 3gcj s PHE 536 Ca -0.16 -0.55 -0.10 0.00 -0.60 0.00 0.00 56.93 55.51 3gcj s PHE 536 Cb 0.01 -0.81 0.03 0.00 0.51 0.00 0.00 43.02 42.76 3gcj s PHE 536 CO 0.70 0.38 1.08 0.95 0.70 0.00 0.00 175.22 179.04 3gcj s THR 537 N -2.89 3.06 0.22 0.64 -4.23 -1.26 -4.88 115.64 106.30 3gcj s THR 537 Ca 0.23 0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 60.89 3gcj s THR 537 Cb -0.01 -3.32 0.17 0.00 1.34 0.00 0.00 72.50 70.68 3gcj s THR 537 CO 0.07 -0.41 1.86 -0.08 -0.54 0.00 0.00 174.62 175.52 3gcj h GLU 538 N -0.68 0.92 -0.06 3.99 4.81 -2.01 -1.36 114.58 120.18 3gcj h GLU 538 Ca -0.45 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.63 3gcj h GLU 538 Cb 1.28 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3gcj h GLU 538 CO 0.64 0.61 -0.41 0.87 -0.73 0.00 0.00 179.01 179.99 3gcj h LYS 539 N 0.94 0.14 -0.09 1.92 1.57 -1.96 -1.95 116.57 117.14 3gcj h LYS 539 Ca 0.31 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.90 3gcj h LYS 539 Cb 0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3gcj h LYS 539 CO -0.12 0.53 -0.53 1.96 -0.57 0.00 0.00 179.45 180.72 3gcj h GLN 540 N 0.12 0.25 -0.39 3.15 4.20 -1.71 -2.80 115.11 117.94 3gcj h GLN 540 Ca 0.01 -0.15 -0.15 0.00 0.06 0.00 0.00 58.65 58.42 3gcj h GLN 540 Cb 0.77 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 3gcj h GLN 540 CO 0.06 0.72 -0.33 0.00 -0.67 0.00 0.00 178.83 178.61 3gcj h ARG 541 N 0.20 0.91 -0.42 1.46 3.08 -0.79 -1.10 114.38 117.72 3gcj h ARG 541 Ca 0.00 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 3gcj h ARG 541 Cb 1.00 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 3gcj h ARG 541 CO 0.08 1.12 0.21 -0.44 -1.07 0.00 0.00 179.97 179.86 3gcj h ASP 542 N 0.73 0.52 0.11 7.04 3.45 -1.29 -2.56 116.42 124.42 3gcj h ASP 542 Ca 0.07 -0.04 -0.25 0.00 0.43 0.00 0.00 57.03 57.24 3gcj h ASP 542 Cb 0.92 -0.13 0.01 0.00 -0.56 0.00 0.00 39.33 39.57 3gcj h ASP 542 CO 0.09 0.45 -1.00 -1.28 -1.57 0.00 0.00 179.24 175.92 3gcj h SER 543 N 0.59 0.79 0.09 6.45 0.87 -1.25 -3.34 113.55 117.76 3gcj h SER 543 Ca 0.15 -0.63 -0.08 0.00 -1.23 0.00 0.00 61.79 60.01 3gcj h SER 543 Cb 0.06 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3gcj h SER 543 CO -0.02 1.43 -0.25 -0.07 -0.53 0.00 0.00 176.83 177.38 3gcj h LEU 544 N 0.35 0.27 -0.07 2.23 3.38 -0.82 -3.03 115.31 117.61 3gcj h LEU 544 Ca -0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3gcj h LEU 544 Cb 1.64 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3gcj h LEU 544 CO 0.19 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.25 3gcj n GLN 545 N -4.16 0.86 0.00 1.13 10.64 -1.02 -2.38 117.38 122.46 3gcj n GLN 545 Ca -0.01 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.26 3gcj n GLN 545 Cb 0.37 -1.03 0.04 0.00 -0.86 0.00 0.00 30.24 28.75 3gcj n GLN 545 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3gcj n LYS 546 N -0.46 1.63 -1.50 2.61 5.02 -1.15 -4.98 118.16 119.34 3gcj n LYS 546 Ca 0.00 -1.28 -0.33 0.00 -2.02 0.00 0.00 58.31 54.68 3gcj n LYS 546 Cb 0.02 -1.38 0.08 0.00 -0.02 0.00 0.00 35.03 33.73 3gcj n LYS 546 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3gcj s VAL 547 N -1.94 2.78 0.02 -0.18 -7.23 -1.00 -4.75 120.40 108.09 3gcj s VAL 547 Ca 0.19 0.35 -0.26 0.00 -1.81 0.00 0.00 61.98 60.46 3gcj s VAL 547 Cb 0.16 -2.84 0.06 0.00 0.56 0.00 0.00 36.38 34.32 3gcj s VAL 547 CO 0.38 -0.24 0.59 -0.94 -0.31 0.00 0.00 175.10 174.58 3gcj s SER 548 N -2.44 -0.54 0.41 4.85 1.04 -1.26 -5.00 113.70 110.76 3gcj s SER 548 Ca 0.69 0.38 0.16 0.00 0.48 0.00 0.00 55.95 57.67 3gcj s SER 548 Cb -0.24 0.52 0.88 0.00 0.10 0.00 0.00 66.02 67.28 3gcj s SER 548 CO 0.46 -0.69 1.88 0.15 0.98 0.00 0.00 173.24 176.02 3gcj h PHE 549 N 2.83 0.00 -0.03 5.02 3.57 -1.96 -2.78 116.94 123.60 3gcj h PHE 549 Ca -0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.20 3gcj h PHE 549 Cb 1.19 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 3gcj h PHE 549 CO 0.36 0.30 0.02 0.77 -2.23 0.00 0.00 178.31 177.53 3gcj h SER 550 N 0.00 0.03 -0.78 0.41 0.02 -1.88 -2.30 113.55 109.05 3gcj h SER 550 Ca -0.00 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3gcj h SER 550 Cb 0.58 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 3gcj h SER 550 CO 0.04 0.04 0.52 -0.09 -1.14 0.00 0.00 176.83 176.20 3gcj h ARG 551 N 0.02 1.03 -0.98 3.45 9.65 -1.80 -1.59 114.38 124.16 3gcj h ARG 551 Ca 0.01 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 58.87 3gcj h ARG 551 Cb 0.02 -0.23 -0.06 0.00 -1.39 0.00 0.00 29.97 28.30 3gcj h ARG 551 CO -0.00 0.68 0.64 1.25 2.80 0.00 0.00 179.97 185.34 3gcj h LEU 552 N 1.06 1.05 -0.02 3.80 5.85 -1.21 -1.21 115.31 124.64 3gcj h LEU 552 Ca 0.29 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3gcj h LEU 552 Cb -0.12 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.67 3gcj h LEU 552 CO -0.06 0.71 0.00 0.40 -0.34 0.00 0.00 178.44 179.14 3gcj h ILE 553 N 1.21 1.24 -0.35 4.05 1.08 -0.77 -2.58 117.51 121.39 3gcj h ILE 553 Ca 0.40 -0.71 0.07 0.00 -0.39 0.00 0.00 64.86 64.23 3gcj h ILE 553 Cb 0.05 1.69 -0.07 0.00 -3.07 0.00 0.00 36.82 35.42 3gcj h ILE 553 CO -0.14 0.19 -0.11 0.00 -0.69 0.00 0.00 178.15 177.40 3gcj h ASP 555 N -0.03 0.00 0.00 0.00 3.32 -1.26 -3.33 116.42 115.12 3gcj h ASP 555 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3gcj h ASP 555 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3gcj h ASP 555 CO -0.38 0.00 -0.08 0.59 -1.72 0.00 0.00 179.24 177.65 3gcj n ASN 556 N -2.36 1.60 -3.85 6.45 3.02 -0.81 -5.05 115.26 114.27 3gcj n ASN 556 Ca 0.03 -2.34 -0.12 0.00 -0.03 0.00 0.00 54.58 52.13 3gcj n ASN 556 Cb 0.31 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 3gcj n ASN 556 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3gcj s THR 557 N -1.51 0.00 -0.39 3.41 -4.23 -0.57 -4.99 115.64 107.36 3gcj s THR 557 Ca 0.13 -1.64 0.11 0.00 -1.18 0.00 0.00 61.69 59.12 3gcj s THR 557 Cb 0.12 -2.41 0.66 0.00 1.34 0.00 0.00 72.50 72.21 3gcj s THR 557 CO 0.01 0.00 1.51 1.41 -0.54 0.00 0.00 174.62 177.01 3gcj n HIS 558 N -0.40 1.69 -2.91 3.99 8.25 -1.26 -4.80 115.22 119.77 3gcj n HIS 558 Ca 0.00 -0.59 -0.40 0.00 -0.26 0.00 0.00 57.72 56.47 3gcj n HIS 558 Cb 0.63 -0.44 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 3gcj n HIS 558 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gcj s ILE 559 N -2.42 4.72 -0.45 1.59 1.09 -1.26 -4.96 121.20 119.52 3gcj s ILE 559 Ca 0.44 1.75 0.07 0.00 -1.10 0.00 0.00 60.65 61.80 3gcj s ILE 559 Cb 0.34 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.52 3gcj s ILE 559 CO 0.13 0.33 0.38 0.35 -0.10 0.00 0.00 174.94 176.02 3gcj n THR 560 N 2.99 0.00 -4.32 2.92 -2.24 -1.26 -4.60 114.28 107.77 3gcj n THR 560 Ca -0.01 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.09 3gcj n THR 560 Cb 0.50 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.60 3gcj n THR 560 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3gcj s LYS 561 N -1.39 2.56 0.04 -0.78 -0.14 -1.26 -0.60 119.74 118.17 3gcj s LYS 561 Ca 0.04 -0.67 -0.03 0.00 -1.36 0.00 0.00 55.97 53.95 3gcj s LYS 561 Cb 0.05 -2.19 -0.02 0.00 -1.68 0.00 0.00 37.83 33.99 3gcj s LYS 561 CO 0.23 -0.13 0.03 0.14 -0.76 0.00 0.00 175.35 174.86 3gcj s VAL 562 N 1.15 0.16 0.73 3.17 -7.23 -0.53 -4.88 120.40 112.98 3gcj s VAL 562 Ca -0.01 -1.34 -0.11 0.00 -1.81 0.00 0.00 61.98 58.70 3gcj s VAL 562 Cb -0.14 -1.05 0.03 0.00 0.56 0.00 0.00 36.38 35.78 3gcj s VAL 562 CO -0.06 -0.74 1.09 -2.16 -0.31 0.00 0.00 175.10 172.92 3gcj s PRO 563 N -3.00 2.63 0.01 4.82 0.04 -1.26 -0.93 135.00 137.32 3gcj s PRO 563 Ca -0.02 0.56 -0.02 0.00 0.04 0.00 0.00 61.00 61.56 3gcj s PRO 563 Cb 0.01 -1.99 -0.27 0.00 0.04 0.00 0.00 34.50 32.29 3gcj s PRO 563 CO -0.06 -1.22 0.89 -0.07 0.04 0.00 0.00 177.00 176.57 3gcj h LEU 564 N -0.79 0.37 -7.40 -3.56 4.07 -1.98 -3.40 115.31 102.62 3gcj h LEU 564 Ca -0.46 -0.50 -0.66 0.00 0.08 0.00 0.00 57.88 56.34 3gcj h LEU 564 Cb 1.25 -0.12 -0.39 0.00 1.08 0.00 0.00 40.66 42.48 3gcj h LEU 564 CO 0.62 1.42 -0.49 -1.00 -1.08 0.00 0.00 178.44 177.90 3gcj s HIS 565 N -2.62 3.36 0.63 1.13 3.76 -1.26 -4.83 115.29 115.45 3gcj s HIS 565 Ca -0.08 -3.04 0.36 0.00 -0.15 0.00 0.00 55.06 52.15 3gcj s HIS 565 Cb 0.07 -2.96 2.06 0.00 1.11 0.00 0.00 32.58 32.85 3gcj s HIS 565 CO 0.85 -0.75 2.27 0.00 -0.85 0.00 0.00 174.74 176.27 3gcj h ALA 566 N 6.48 1.33 0.00 -1.40 0.00 -1.99 -3.06 119.26 120.62 3gcj h ALA 566 Ca -0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3gcj h ALA 566 Cb 0.89 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3gcj h ALA 566 CO 0.71 -0.05 -0.63 0.74 0.00 0.00 0.00 179.25 180.03 3gcj h PHE 567 N 0.00 0.00 -3.49 0.00 0.04 -1.95 -3.42 116.94 108.12 3gcj h PHE 567 Ca 0.01 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.31 3gcj h PHE 567 Cb 0.09 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.30 3gcj h PHE 567 CO 0.00 0.38 0.14 1.14 -0.60 0.00 0.00 178.31 179.37 3gcj s GLN 568 N -3.03 2.77 -0.03 1.51 -2.07 -1.16 -1.16 119.66 116.49 3gcj s GLN 568 Ca 0.03 -0.16 -0.30 0.00 -1.82 0.00 0.00 55.36 53.10 3gcj s GLN 568 Cb 0.07 -2.30 -0.05 0.00 -1.09 0.00 0.00 33.01 29.64 3gcj s GLN 568 CO 0.75 -0.76 1.48 0.00 -1.32 0.00 0.00 175.29 175.44 3gcj s ALA 569 N -2.98 3.61 -0.08 2.60 0.00 -1.24 -3.84 121.76 119.85 3gcj s ALA 569 Ca 0.55 0.87 0.04 0.00 0.00 0.00 0.00 51.96 53.42 3gcj s ALA 569 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3gcj s ALA 569 CO 0.44 -1.10 -0.20 -0.80 0.00 0.00 0.00 175.76 174.09 3gcj s ASN 570 N 2.35 2.60 -0.19 0.00 -0.87 -1.26 -4.93 114.94 112.63 3gcj s ASN 570 Ca 0.66 -0.45 -0.11 0.00 -1.57 0.00 0.00 52.86 51.39 3gcj s ASN 570 Cb -0.31 -1.04 -0.05 0.00 -0.02 0.00 0.00 41.25 39.83 3gcj s ASN 570 CO 0.26 0.14 0.18 0.20 -2.57 0.00 0.00 177.10 175.31 3gcj s ASN 571 N 0.29 6.27 0.12 -1.22 0.01 -1.26 -4.69 114.94 114.46 3gcj s ASN 571 Ca -0.13 0.30 -0.20 0.00 -0.71 0.00 0.00 52.86 52.13 3gcj s ASN 571 Cb -0.16 -2.12 -0.07 0.00 0.41 0.00 0.00 41.25 39.31 3gcj s ASN 571 CO 0.06 0.15 0.62 -0.47 -1.51 0.00 0.00 177.10 175.95 3gcj s TYR 572 N 0.45 3.77 -0.40 2.20 5.04 -1.26 -0.73 117.35 126.41 3gcj s TYR 572 Ca 0.10 1.32 0.23 0.00 -2.44 0.00 0.00 57.07 56.28 3gcj s TYR 572 Cb -0.12 -2.54 0.07 0.00 0.35 0.00 0.00 41.96 39.73 3gcj s TYR 572 CO 0.00 0.51 1.07 -0.35 -1.34 0.00 0.00 175.55 175.45 3gcj n PRO 573 N 1.41 0.46 -0.26 4.97 -0.04 -1.26 -4.93 135.00 135.35 3gcj n PRO 573 Ca -0.08 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.51 3gcj n PRO 573 Cb 0.51 -1.72 0.17 0.00 -0.04 0.00 0.00 33.50 32.41 3gcj n PRO 573 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3gcj h HIS 574 N 0.00 0.04 -0.09 0.54 2.76 -1.96 -1.82 115.15 114.62 3gcj h HIS 574 Ca 0.00 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3gcj h HIS 574 Cb 0.88 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.94 3gcj h HIS 574 CO 0.00 -0.21 0.00 -0.25 -1.30 0.00 0.00 177.93 176.17 3gcj n ASP 575 N -5.30 1.28 -4.64 3.26 8.00 0.09 -4.86 116.55 114.38 3gcj n ASP 575 Ca 0.14 -1.57 -0.35 0.00 0.71 0.00 0.00 54.79 53.73 3gcj n ASP 575 Cb 0.49 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.44 3gcj n ASP 575 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gcj s PHE 576 N -1.89 3.26 0.45 1.24 0.40 -0.68 -4.18 117.98 116.58 3gcj s PHE 576 Ca 0.34 0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.82 3gcj s PHE 576 Cb 0.18 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 3gcj s PHE 576 CO 0.28 0.15 0.27 0.14 0.70 0.00 0.00 175.22 176.76 3gcj s VAL 577 N 0.40 2.14 0.15 -0.44 -7.23 -0.10 -4.84 120.40 110.49 3gcj s VAL 577 Ca 0.03 -1.59 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 3gcj s VAL 577 Cb -0.12 -2.73 -0.07 0.00 0.56 0.00 0.00 36.38 34.02 3gcj s VAL 577 CO 0.00 0.00 0.91 -0.62 -0.31 0.00 0.00 175.10 175.08 3gcj s ASP 578 N -4.05 7.49 0.55 4.85 -1.08 -1.26 -1.45 116.67 121.72 3gcj s ASP 578 Ca 0.39 1.78 0.34 0.00 -0.52 0.00 0.00 52.55 54.53 3gcj s ASP 578 Cb 0.01 -2.57 1.50 0.00 -1.46 0.00 0.00 42.92 40.40 3gcj s ASP 578 CO 0.22 0.05 1.83 0.00 0.52 0.00 0.00 175.17 177.79 3gcj n SER 580 N -4.12 0.00 -0.08 0.00 7.64 -1.26 -1.69 113.62 114.11 3gcj n SER 580 Ca 0.21 0.06 0.12 0.00 1.01 0.00 0.00 58.87 60.26 3gcj n SER 580 Cb 1.08 -0.33 0.20 0.00 -1.01 0.00 0.00 64.21 64.15 3gcj n SER 580 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3gcj n THR 581 N -1.33 0.00 -3.61 0.44 -1.04 0.12 -4.92 114.28 103.95 3gcj n THR 581 Ca 0.10 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.05 61.70 3gcj n THR 581 Cb 0.20 0.47 -0.06 0.00 -1.82 0.00 0.00 70.33 69.11 3gcj n THR 581 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3gcj s VAL 582 N -2.87 5.27 0.17 12.58 1.01 -0.68 -5.05 120.40 130.83 3gcj s VAL 582 Ca 0.14 0.55 -0.33 0.00 0.00 0.00 0.00 61.98 62.34 3gcj s VAL 582 Cb 0.18 -3.60 -0.15 0.00 0.00 0.00 0.00 36.38 32.81 3gcj s VAL 582 CO 0.68 0.50 1.39 0.47 0.00 0.00 0.00 175.10 178.15 3gcj n ASP 583 N 2.67 2.32 -4.96 3.32 9.92 -1.26 -5.00 116.55 123.56 3gcj n ASP 583 Ca -0.14 1.12 -0.21 0.00 -0.53 0.00 0.00 54.79 55.03 3gcj n ASP 583 Cb 0.53 -1.33 -0.02 0.00 -0.64 0.00 0.00 41.12 39.65 3gcj n ASP 583 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3gcj s LYS 584 N 0.14 3.39 -0.15 -1.24 1.02 -1.26 -4.77 119.74 116.88 3gcj s LYS 584 Ca 0.75 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 55.66 3gcj s LYS 584 Cb -0.76 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 33.66 3gcj s LYS 584 CO 0.46 0.43 1.36 -1.17 -0.92 0.00 0.00 175.35 175.51 3gcj s LEU 585 N -3.97 4.18 -0.53 3.17 2.96 -1.26 -4.86 118.68 118.37 3gcj s LEU 585 Ca 0.34 1.78 -0.23 0.00 -0.22 0.00 0.00 54.13 55.80 3gcj s LEU 585 Cb -0.09 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.11 3gcj s LEU 585 CO 0.29 -0.84 0.84 -0.62 -1.32 0.00 0.00 176.35 174.70 3gcj s ASP 586 N 2.41 6.31 0.00 3.68 2.15 -1.26 -4.92 116.67 125.04 3gcj s ASP 586 Ca 0.59 -0.50 0.14 0.00 0.43 0.00 0.00 52.55 53.21 3gcj s ASP 586 Cb -0.24 -2.39 0.50 0.00 -0.30 0.00 0.00 42.92 40.49 3gcj s ASP 586 CO 0.19 -1.11 1.37 0.18 -0.17 0.00 0.00 175.17 175.63 3gcj n LEU 587 N 7.04 1.46 -0.00 -1.34 4.77 -1.26 -4.27 117.00 123.40 3gcj n LEU 587 Ca -0.01 -0.68 0.02 0.00 -0.03 0.00 0.00 56.01 55.31 3gcj n LEU 587 Cb 0.47 -0.15 0.37 0.00 -2.33 0.00 0.00 43.42 41.78 3gcj n LEU 587 CO 0.60 0.34 1.07 0.77 -1.33 0.00 0.00 177.39 178.85 3gcj h SER 588 N 1.73 0.48 0.08 -1.43 4.64 -2.00 -1.92 113.55 115.14 3gcj h SER 588 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3gcj h SER 588 Cb 0.39 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3gcj h SER 588 CO 0.00 0.43 0.00 -2.65 -0.87 0.00 0.00 176.83 173.74 3gcj n PRO 589 N -4.39 0.08 0.00 4.77 -0.02 -1.26 -0.77 135.00 133.41 3gcj n PRO 589 Ca 0.02 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.84 3gcj n PRO 589 Cb 0.13 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.28 3gcj n PRO 589 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3gcj n TRP 590 N -1.25 0.00 -2.35 6.00 8.01 -0.72 -4.81 117.44 122.32 3gcj n TRP 590 Ca 0.03 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.80 3gcj n TRP 590 Cb 0.04 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.31 29.30 3gcj n TRP 590 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3gcj s ALA 591 N -2.12 3.45 0.31 6.99 0.00 0.05 -4.95 121.76 125.49 3gcj s ALA 591 Ca 0.28 0.95 0.08 0.00 0.00 0.00 0.00 51.96 53.27 3gcj s ALA 591 Cb 0.20 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3gcj s ALA 591 CO 0.37 -0.44 0.14 -1.54 0.00 0.00 0.00 175.76 174.29 3gcj s SER 592 N 0.61 4.82 -0.38 0.00 1.04 -1.26 -5.11 113.70 113.43 3gcj s SER 592 Ca 0.57 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 56.37 3gcj s SER 592 Cb -0.32 -0.86 0.15 0.00 0.10 0.00 0.00 66.02 65.09 3gcj s SER 592 CO 0.33 -0.21 0.30 -0.13 0.98 0.00 0.00 173.24 174.51 3gcj s ARG 593 N -3.83 0.68 -0.04 4.02 0.52 -1.26 -5.01 118.95 114.03 3gcj s ARG 593 Ca 0.36 -1.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.18 3gcj s ARG 593 Cb -0.04 -1.14 0.07 0.00 0.52 0.00 0.00 34.95 34.36 3gcj s ARG 593 CO 0.23 -1.26 0.95 0.39 0.02 0.00 0.00 175.30 175.63 3gcj n GLU 594 N 3.75 1.19 0.00 3.54 -0.58 -1.26 -5.34 120.64 121.95 3gcj n GLU 594 Ca 0.17 -0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 3gcj n GLU 594 Cb 0.42 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 3gcj n GLU 594 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94