#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gjx s TRP 24 N 0.00 -0.25 1.00 1.96 -0.11 -1.26 -4.23 118.94 116.05 2gjx s TRP 24 Ca 0.00 0.65 -0.16 0.00 1.22 0.00 0.00 56.10 57.81 2gjx s TRP 24 Cb 0.00 -0.04 0.20 0.00 -1.50 0.00 0.00 33.47 32.13 2gjx s TRP 24 CO 0.00 -0.21 1.24 -1.25 -4.62 0.00 0.00 176.95 172.11 2gjx s PRO 25 N 1.39 0.40 -0.08 5.86 0.04 -1.26 -4.72 135.00 136.63 2gjx s PRO 25 Ca -0.08 -0.21 -0.28 0.00 0.04 0.00 0.00 61.00 60.47 2gjx s PRO 25 Cb -0.11 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2gjx s PRO 25 CO -0.07 -2.60 0.91 -0.46 0.04 0.00 0.00 177.00 174.81 2gjx s TRP 26 N -3.61 3.55 1.05 0.56 -0.11 -1.26 -5.02 118.94 114.11 2gjx s TRP 26 Ca 0.71 1.49 -0.12 0.00 1.22 0.00 0.00 56.10 59.41 2gjx s TRP 26 Cb -0.07 -3.06 0.22 0.00 -1.50 0.00 0.00 33.47 29.06 2gjx s TRP 26 CO 0.53 -0.11 1.08 -2.14 -4.62 0.00 0.00 176.95 171.70 2gjx s PRO 27 N 1.52 -0.08 0.07 5.86 0.02 -1.26 -4.36 135.00 136.78 2gjx s PRO 27 Ca 0.45 1.18 -0.17 0.00 0.02 0.00 0.00 61.00 62.48 2gjx s PRO 27 Cb -0.19 -1.63 -0.12 0.00 0.02 0.00 0.00 34.50 32.59 2gjx s PRO 27 CO 0.20 -3.26 1.36 1.96 -0.33 0.00 0.00 177.00 176.93 2gjx h GLN 28 N -2.30 0.58 -4.13 5.54 1.08 -1.87 -3.43 115.11 110.59 2gjx h GLN 28 Ca -0.53 -0.34 -0.56 0.00 -1.45 0.00 0.00 58.65 55.78 2gjx h GLN 28 Cb 1.30 0.03 -0.38 0.00 -0.05 0.00 0.00 27.48 28.38 2gjx h GLN 28 CO 0.46 0.94 -0.79 -0.80 -0.95 0.00 0.00 178.83 177.69 2gjx s ASN 29 N -6.47 2.96 -0.11 1.46 0.01 -0.99 -4.98 114.94 106.83 2gjx s ASN 29 Ca -0.13 -0.74 0.01 0.00 -0.71 0.00 0.00 52.86 51.29 2gjx s ASN 29 Cb 0.07 -0.91 0.02 0.00 0.41 0.00 0.00 41.25 40.84 2gjx s ASN 29 CO 0.81 -0.20 -0.11 0.12 -1.51 0.00 0.00 177.10 176.21 2gjx s PHE 30 N 1.63 1.64 -0.19 2.20 5.36 -1.26 -2.42 117.98 124.93 2gjx s PHE 30 Ca -0.00 -0.78 0.00 0.00 -0.96 0.00 0.00 56.93 55.19 2gjx s PHE 30 Cb -0.16 -1.27 0.05 0.00 -0.34 0.00 0.00 43.02 41.30 2gjx s PHE 30 CO -0.07 -0.48 -0.07 -0.65 -1.46 0.00 0.00 175.22 172.49 2gjx s GLN 31 N 1.34 1.66 0.06 10.12 -1.52 -0.75 -5.01 119.66 125.56 2gjx s GLN 31 Ca -0.01 -0.74 0.07 0.00 -1.95 0.00 0.00 55.36 52.73 2gjx s GLN 31 Cb -0.14 -2.29 -0.04 0.00 -0.22 0.00 0.00 33.01 30.33 2gjx s GLN 31 CO -0.05 -0.47 -0.15 -0.08 -0.25 0.00 0.00 175.29 174.29 2gjx s THR 32 N 1.50 3.03 0.34 -0.19 -1.32 -1.26 -1.22 115.64 116.52 2gjx s THR 32 Ca -0.02 -1.20 0.05 0.00 -1.21 0.00 0.00 61.69 59.32 2gjx s THR 32 Cb -0.16 -2.33 -0.07 0.00 -1.51 0.00 0.00 72.50 68.43 2gjx s THR 32 CO -0.08 0.26 0.01 -0.55 -2.21 0.00 0.00 174.62 172.06 2gjx s SER 33 N -1.70 2.92 0.00 8.08 0.15 -0.62 -5.03 113.70 117.51 2gjx s SER 33 Ca 0.17 -1.33 0.27 0.00 0.70 0.00 0.00 55.95 55.76 2gjx s SER 33 Cb -0.11 -0.20 0.81 0.00 -1.71 0.00 0.00 66.02 64.81 2gjx s SER 33 CO 0.08 -0.49 1.60 0.47 1.20 0.00 0.00 173.24 176.10 2gjx n ASP 34 N -0.74 1.34 -4.71 5.45 10.43 -1.26 -4.30 116.55 122.75 2gjx n ASP 34 Ca -0.04 -1.20 -0.42 0.00 2.57 0.00 0.00 54.79 55.70 2gjx n ASP 34 Cb 0.66 0.09 -0.03 0.00 1.84 0.00 0.00 41.12 43.68 2gjx n ASP 34 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 2gjx s GLN 35 N -2.29 4.20 0.11 -1.24 -0.21 -1.26 -4.94 119.66 114.04 2gjx s GLN 35 Ca 0.29 2.40 0.04 0.00 0.02 0.00 0.00 55.36 58.11 2gjx s GLN 35 Cb 0.20 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.96 2gjx s GLN 35 CO 0.44 -0.65 0.09 1.03 -2.12 0.00 0.00 175.29 174.08 2gjx s ARG 36 N 1.36 2.84 -0.04 2.91 0.52 -1.26 -2.08 118.95 123.20 2gjx s ARG 36 Ca 0.71 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 2gjx s ARG 36 Cb -0.44 -2.67 0.02 0.00 0.52 0.00 0.00 34.95 32.38 2gjx s ARG 36 CO 0.32 0.53 -0.04 0.71 0.02 0.00 0.00 175.30 176.83 2gjx s TYR 37 N -1.52 0.75 0.21 -0.53 1.51 -0.84 -4.50 117.35 112.43 2gjx s TYR 37 Ca 0.29 -0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 55.85 2gjx s TYR 37 Cb -0.11 -0.67 -0.08 0.00 -0.11 0.00 0.00 41.96 40.99 2gjx s TYR 37 CO 0.22 -0.19 1.12 0.08 -1.11 0.00 0.00 175.55 175.66 2gjx s VAL 38 N 0.93 3.70 0.16 0.71 1.01 -0.81 -2.12 120.40 123.98 2gjx s VAL 38 Ca -0.11 1.53 0.07 0.00 0.00 0.00 0.00 61.98 63.47 2gjx s VAL 38 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2gjx s VAL 38 CO 0.00 0.29 -0.01 -0.76 0.00 0.00 0.00 175.10 174.62 2gjx s LEU 39 N -0.68 3.31 -0.47 3.92 1.43 -0.96 -1.81 118.68 123.41 2gjx s LEU 39 Ca 0.48 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2gjx s LEU 39 Cb -0.31 -1.97 0.13 0.00 0.03 0.00 0.00 46.19 44.07 2gjx s LEU 39 CO 0.37 0.10 0.24 -0.31 0.23 0.00 0.00 176.35 176.99 2gjx s TYR 40 N -1.67 2.46 0.22 0.29 2.02 -1.26 -4.68 117.35 114.74 2gjx s TYR 40 Ca 0.27 -2.72 -0.13 0.00 -0.37 0.00 0.00 57.07 54.12 2gjx s TYR 40 Cb -0.10 -2.26 0.28 0.00 -0.40 0.00 0.00 41.96 39.48 2gjx s TYR 40 CO 0.18 -0.77 1.39 -2.30 -1.57 0.00 0.00 175.55 172.49 2gjx n PRO 41 N 3.38 -0.17 0.21 -1.71 -0.02 -1.26 -0.14 135.00 135.29 2gjx n PRO 41 Ca 0.07 1.39 0.14 0.00 -2.02 0.00 0.00 63.50 63.08 2gjx n PRO 41 Cb 0.33 -2.06 0.44 0.00 -0.02 0.00 0.00 33.50 32.19 2gjx n PRO 41 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2gjx h ASN 42 N 0.00 0.00 0.00 2.55 2.35 -1.95 -3.28 115.58 115.25 2gjx h ASN 42 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 2gjx h ASN 42 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2gjx h ASN 42 CO -0.90 0.00 -0.52 0.59 -1.65 0.00 0.00 177.43 174.95 2gjx n ASN 43 N -2.82 1.05 -4.69 5.81 5.03 -0.31 -5.01 115.26 114.32 2gjx n ASN 43 Ca 0.03 -0.49 -0.42 0.00 0.87 0.00 0.00 54.58 54.56 2gjx n ASN 43 Cb 0.39 1.07 -0.03 0.00 -1.02 0.00 0.00 39.78 40.18 2gjx n ASN 43 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2gjx s PHE 44 N -1.77 2.20 0.04 3.10 5.36 0.80 -4.96 117.98 122.75 2gjx s PHE 44 Ca 0.01 0.00 0.03 0.00 -0.96 0.00 0.00 56.93 56.01 2gjx s PHE 44 Cb 0.04 -4.18 -0.02 0.00 -0.34 0.00 0.00 43.02 38.53 2gjx s PHE 44 CO 0.25 -4.83 -0.10 1.14 -1.46 0.00 0.00 175.22 170.23 2gjx s GLN 45 N 2.63 0.63 -0.04 10.12 -2.07 -1.21 -5.00 119.66 124.72 2gjx s GLN 45 Ca 0.80 -0.73 -0.13 0.00 -1.82 0.00 0.00 55.36 53.49 2gjx s GLN 45 Cb -0.46 -0.50 -0.05 0.00 -1.09 0.00 0.00 33.01 30.91 2gjx s GLN 45 CO 0.36 0.11 0.34 -0.06 -1.32 0.00 0.00 175.29 174.72 2gjx s PHE 46 N -1.13 3.68 0.03 9.60 0.40 -1.26 -3.23 117.98 126.07 2gjx s PHE 46 Ca -0.05 0.85 -0.00 0.00 -0.60 0.00 0.00 56.93 57.13 2gjx s PHE 46 Cb -0.09 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 2gjx s PHE 46 CO 0.01 0.64 -0.03 1.14 0.70 0.00 0.00 175.22 177.67 2gjx s GLN 47 N -0.94 0.42 0.30 0.44 -2.07 -1.17 -5.00 119.66 111.64 2gjx s GLN 47 Ca 0.21 -0.84 -0.12 0.00 -1.82 0.00 0.00 55.36 52.79 2gjx s GLN 47 Cb -0.15 0.14 -0.08 0.00 -1.09 0.00 0.00 33.01 31.83 2gjx s GLN 47 CO 0.10 -0.07 0.67 0.71 -1.32 0.00 0.00 175.29 175.38 2gjx s TYR 48 N -2.37 3.40 0.38 9.60 1.51 -1.26 -1.61 117.35 127.01 2gjx s TYR 48 Ca -0.07 1.07 -0.24 0.00 -1.01 0.00 0.00 57.07 56.81 2gjx s TYR 48 Cb -0.03 -2.42 -0.10 0.00 -0.11 0.00 0.00 41.96 39.30 2gjx s TYR 48 CO -0.04 0.14 1.00 0.34 -1.11 0.00 0.00 175.55 175.88 2gjx s ASP 49 N -2.42 6.95 0.40 2.29 -1.08 -0.90 -4.84 116.67 117.09 2gjx s ASP 49 Ca 0.51 1.92 0.07 0.00 -0.52 0.00 0.00 52.55 54.54 2gjx s ASP 49 Cb -0.11 -2.58 0.83 0.00 -1.46 0.00 0.00 42.92 39.61 2gjx s ASP 49 CO 0.20 -0.35 2.03 1.62 0.52 0.00 0.00 175.17 179.20 2gjx h VAL 50 N 2.26 1.12 -2.23 1.11 3.04 -1.95 -2.87 116.25 116.73 2gjx h VAL 50 Ca -0.48 -0.28 -0.78 0.00 -1.01 0.00 0.00 66.70 64.15 2gjx h VAL 50 Cb 1.20 0.58 -0.29 0.00 -2.01 0.00 0.00 31.29 30.78 2gjx h VAL 50 CO 0.63 0.13 0.85 -1.54 -1.01 0.00 0.00 177.57 176.62 2gjx n SER 51 N -4.45 7.06 -4.16 3.17 3.41 -1.26 -4.97 113.62 112.42 2gjx n SER 51 Ca 0.03 -3.70 -0.20 0.00 -0.26 0.00 0.00 58.87 54.74 2gjx n SER 51 Cb 0.09 -1.09 -0.13 0.00 -0.26 0.00 0.00 64.21 62.82 2gjx n SER 51 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2gjx s SER 52 N -1.57 1.74 0.12 4.04 0.15 -1.09 -4.95 113.70 112.15 2gjx s SER 52 Ca 0.41 -0.53 -0.14 0.00 0.70 0.00 0.00 55.95 56.39 2gjx s SER 52 Cb 0.22 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.41 2gjx s SER 52 CO -0.15 -0.00 1.53 0.00 1.20 0.00 0.00 173.24 175.81 2gjx h ALA 53 N 4.65 0.52 -2.41 5.45 0.00 -1.36 -3.42 119.26 122.70 2gjx h ALA 53 Ca -0.40 -0.31 -0.54 0.00 0.00 0.00 0.00 54.91 53.66 2gjx h ALA 53 Cb 1.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2gjx h ALA 53 CO 0.42 0.38 0.46 0.00 0.00 0.00 0.00 179.25 180.52 2gjx s ALA 54 N -4.79 3.27 0.06 0.00 0.00 -1.25 -4.86 121.76 114.18 2gjx s ALA 54 Ca -0.13 0.60 -0.09 0.00 0.00 0.00 0.00 51.96 52.34 2gjx s ALA 54 Cb 0.10 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2gjx s ALA 54 CO 0.81 -0.36 0.20 -1.14 0.00 0.00 0.00 175.76 175.27 2gjx s GLN 55 N 1.21 0.77 0.14 0.00 2.00 -1.26 -4.72 119.66 117.80 2gjx s GLN 55 Ca 0.54 -0.76 -0.27 0.00 -2.00 0.00 0.00 55.36 52.87 2gjx s GLN 55 Cb -0.23 0.32 -0.15 0.00 0.80 0.00 0.00 33.01 33.74 2gjx s GLN 55 CO 0.27 -0.23 0.55 -2.30 -0.50 0.00 0.00 175.29 173.07 2gjx n PRO 56 N 0.36 0.00 -0.16 1.67 -0.02 -1.26 -2.18 135.00 133.40 2gjx n PRO 56 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2gjx n PRO 56 Cb 0.60 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 2gjx n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gjx n GLY 57 N 1.68 0.90 3.35 -1.23 0.00 -1.26 -5.03 105.19 103.61 2gjx n GLY 57 Ca 0.16 -0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 2gjx n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gjx n SER 59 N 3.66 -0.70 0.13 0.00 3.41 -1.26 0.60 113.62 119.46 2gjx n SER 59 Ca 0.21 1.41 -0.16 0.00 -0.26 0.00 0.00 58.87 60.07 2gjx n SER 59 Cb 0.43 -0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 64.02 2gjx n SER 59 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2gjx h VAL 60 N 0.00 0.06 0.11 -3.33 2.07 -1.91 -2.96 116.25 110.29 2gjx h VAL 60 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2gjx h VAL 60 Cb 0.27 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2gjx h VAL 60 CO -0.62 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 176.85 2gjx h LEU 61 N -0.74 -0.12 -2.20 2.57 4.07 -1.68 -2.73 115.31 114.47 2gjx h LEU 61 Ca 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.80 2gjx h LEU 61 Cb 0.75 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.52 2gjx h LEU 61 CO -0.25 0.09 0.25 -2.24 -1.08 0.00 0.00 178.44 175.20 2gjx h ASP 62 N -0.33 0.00 0.01 -0.43 3.04 0.17 0.22 116.42 119.09 2gjx h ASP 62 Ca -0.02 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.63 2gjx h ASP 62 Cb 0.28 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.55 2gjx h ASP 62 CO 0.02 0.00 -0.79 -0.33 -2.04 0.00 0.00 179.24 176.11 2gjx h GLU 63 N 0.00 0.01 -0.71 4.15 4.39 -1.46 -3.27 114.58 117.70 2gjx h GLU 63 Ca 0.00 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.80 2gjx h GLU 63 Cb 0.50 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.08 2gjx h GLU 63 CO 0.00 1.01 0.28 0.00 -1.16 0.00 0.00 179.01 179.14 2gjx h ALA 64 N -0.28 0.96 -0.54 3.43 0.00 -0.83 0.81 119.26 122.82 2gjx h ALA 64 Ca -0.21 0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2gjx h ALA 64 Cb 1.21 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 2gjx h ALA 64 CO -0.12 -0.19 -0.35 0.74 0.00 0.00 0.00 179.25 179.33 2gjx h PHE 65 N 0.45 -0.98 -0.13 0.00 -1.00 -0.78 0.46 116.94 114.95 2gjx h PHE 65 Ca 0.37 0.07 -0.19 0.00 2.81 0.00 0.00 57.97 61.03 2gjx h PHE 65 Cb 0.52 0.51 0.00 0.00 3.61 0.00 0.00 35.95 40.59 2gjx h PHE 65 CO -0.16 -0.39 -0.71 1.96 -1.61 0.00 0.00 178.31 177.40 2gjx h GLN 66 N -0.20 0.58 -0.33 1.51 1.08 -1.17 -2.46 115.11 114.12 2gjx h GLN 66 Ca 0.21 -0.45 -0.01 0.00 -1.45 0.00 0.00 58.65 56.94 2gjx h GLN 66 Cb 0.55 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 2gjx h GLN 66 CO -0.64 1.07 0.16 -0.09 -0.95 0.00 0.00 178.83 178.38 2gjx h ARG 67 N 0.41 0.48 0.00 1.46 2.43 0.14 -2.75 114.38 116.55 2gjx h ARG 67 Ca -0.03 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 58.95 2gjx h ARG 67 Cb 1.30 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 2gjx h ARG 67 CO 0.13 0.44 -0.58 1.88 -1.51 0.00 0.00 179.97 180.33 2gjx h TYR 68 N 0.40 0.00 0.00 2.20 0.05 -0.16 -2.95 116.97 116.51 2gjx h TYR 68 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2gjx h TYR 68 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 2gjx h TYR 68 CO -0.02 0.58 0.00 0.07 -1.05 0.00 0.00 178.16 177.74 2gjx h ARG 69 N 0.00 0.00 0.13 4.88 0.11 -1.35 -2.52 114.38 115.64 2gjx h ARG 69 Ca -0.01 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.83 2gjx h ARG 69 Cb 1.25 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.34 2gjx h ARG 69 CO 0.08 0.00 -1.19 0.22 0.10 0.00 0.00 179.97 179.18 2gjx h ASP 70 N 0.00 0.44 -0.50 0.08 3.58 -1.33 -1.84 116.42 116.84 2gjx h ASP 70 Ca 0.00 -0.89 -0.02 0.00 0.42 0.00 0.00 57.03 56.54 2gjx h ASP 70 Cb 0.58 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 2gjx h ASP 70 CO 0.00 1.54 0.25 -0.07 -2.88 0.00 0.00 179.24 178.08 2gjx h LEU 71 N -0.30 0.68 0.01 2.28 4.07 -1.44 -1.86 115.31 118.75 2gjx h LEU 71 Ca -0.24 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.63 2gjx h LEU 71 Cb 1.74 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 43.31 2gjx h LEU 71 CO 0.11 0.59 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.87 2gjx h LEU 72 N 0.76 0.03 -6.58 1.67 4.07 -1.57 -3.42 115.31 110.26 2gjx h LEU 72 Ca 0.19 -0.97 -0.60 0.00 0.08 0.00 0.00 57.88 56.58 2gjx h LEU 72 Cb 0.09 -0.01 -0.40 0.00 1.08 0.00 0.00 40.66 41.42 2gjx h LEU 72 CO -0.02 1.05 -0.78 0.49 -1.08 0.00 0.00 178.44 178.10 2gjx n PHE 73 N -4.57 1.44 -1.90 1.13 3.72 -0.69 -5.11 117.46 111.48 2gjx n PHE 73 Ca -0.11 -3.86 -0.01 0.00 -0.05 0.00 0.00 57.45 53.42 2gjx n PHE 73 Cb 0.51 -0.28 -0.01 0.00 -0.94 0.00 0.00 39.48 38.77 2gjx n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gjx n GLY 74 N 2.04 0.83 0.00 1.37 0.00 -0.70 -4.54 105.19 104.17 2gjx n GLY 74 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2gjx n GLY 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gjx n THR 89 N 0.00 0.00 -4.16 2.61 -1.04 -1.26 -5.04 114.28 105.39 2gjx n THR 89 Ca -0.04 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.82 2gjx n THR 89 Cb 0.48 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.86 2gjx n THR 89 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2gjx s LEU 90 N 0.00 2.13 -0.28 -4.42 2.34 -1.26 -1.93 118.68 115.27 2gjx s LEU 90 Ca 0.00 -0.33 0.03 0.00 0.06 0.00 0.00 54.13 53.89 2gjx s LEU 90 Cb 0.00 -0.28 0.07 0.00 -0.56 0.00 0.00 46.19 45.42 2gjx s LEU 90 CO 0.00 -0.05 -0.07 -1.61 -1.06 0.00 0.00 176.35 173.57 2gjx s GLU 91 N -0.84 2.00 0.00 1.48 0.41 -0.75 -4.88 118.70 116.11 2gjx s GLU 91 Ca -0.03 -1.44 0.22 0.00 -0.41 0.00 0.00 54.97 53.31 2gjx s GLU 91 Cb -0.06 -2.93 0.43 0.00 -1.78 0.00 0.00 34.13 29.79 2gjx s GLU 91 CO 0.00 -0.66 1.39 1.17 -0.49 0.00 0.00 175.26 176.67 2gjx n LYS 92 N 4.41 2.48 -3.57 1.61 4.81 -1.26 -4.56 118.16 122.09 2gjx n LYS 92 Ca -0.10 -2.29 -0.16 0.00 -0.87 0.00 0.00 58.31 54.90 2gjx n LYS 92 Cb 0.42 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.91 2gjx n LYS 92 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2gjx s ASN 93 N -1.40 -0.51 -0.14 3.14 3.84 -1.26 -3.29 114.94 115.32 2gjx s ASN 93 Ca 0.38 0.40 -0.01 0.00 0.21 0.00 0.00 52.86 53.84 2gjx s ASN 93 Cb 0.22 0.49 0.03 0.00 -0.55 0.00 0.00 41.25 41.45 2gjx s ASN 93 CO 0.31 -0.64 -0.05 0.54 -2.79 0.00 0.00 177.10 174.46 2gjx s VAL 94 N -1.78 1.00 0.31 -5.21 0.11 -1.20 -4.82 120.40 108.80 2gjx s VAL 94 Ca -0.09 -0.43 -0.28 0.00 -2.93 0.00 0.00 61.98 58.25 2gjx s VAL 94 Cb -0.01 -1.12 -0.09 0.00 -1.53 0.00 0.00 36.38 33.62 2gjx s VAL 94 CO 0.04 0.22 1.04 -0.76 -3.33 0.00 0.00 175.10 172.30 2gjx s LEU 95 N 1.70 4.44 -0.09 2.54 1.43 0.00 -3.06 118.68 125.65 2gjx s LEU 95 Ca 0.03 2.09 -0.01 0.00 -1.03 0.00 0.00 54.13 55.21 2gjx s LEU 95 Cb -0.14 -3.81 0.03 0.00 0.03 0.00 0.00 46.19 42.30 2gjx s LEU 95 CO -0.08 -0.16 -0.04 -0.69 0.23 0.00 0.00 176.35 175.61 2gjx s VAL 96 N -1.34 0.71 -0.17 -1.59 1.01 -0.63 0.92 120.40 119.30 2gjx s VAL 96 Ca 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 2gjx s VAL 96 Cb -0.27 -0.79 0.05 0.00 0.00 0.00 0.00 36.38 35.37 2gjx s VAL 96 CO 0.34 0.31 -0.02 0.54 0.00 0.00 0.00 175.10 176.27 2gjx s VAL 97 N 1.78 0.90 -0.19 2.92 0.11 -1.03 -2.11 120.40 122.79 2gjx s VAL 97 Ca 0.04 -0.58 -0.17 0.00 -2.93 0.00 0.00 61.98 58.33 2gjx s VAL 97 Cb -0.13 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 2gjx s VAL 97 CO -0.06 0.02 0.47 -0.55 -3.33 0.00 0.00 175.10 171.65 2gjx s SER 98 N 1.71 6.54 -0.04 3.54 0.15 -1.26 -2.32 113.70 122.02 2gjx s SER 98 Ca 0.00 0.64 -0.23 0.00 0.70 0.00 0.00 55.95 57.06 2gjx s SER 98 Cb -0.16 -2.27 -0.26 0.00 -1.71 0.00 0.00 66.02 61.63 2gjx s SER 98 CO -0.07 -0.11 0.99 -0.37 1.20 0.00 0.00 173.24 174.88 2gjx h VAL 99 N 5.02 1.53 -2.70 4.45 -1.51 -1.22 -0.67 116.25 121.14 2gjx h VAL 99 Ca -0.36 -2.17 -0.55 0.00 -1.23 0.00 0.00 66.70 62.39 2gjx h VAL 99 Cb 1.16 2.89 -0.02 0.00 -2.13 0.00 0.00 31.29 33.19 2gjx h VAL 99 CO 0.73 0.61 1.03 -0.69 -1.23 0.00 0.00 177.57 178.02 2gjx s VAL 100 N -2.89 3.77 0.14 7.19 1.01 0.66 -4.60 120.40 125.69 2gjx s VAL 100 Ca -0.15 0.94 -0.23 0.00 0.00 0.00 0.00 61.98 62.54 2gjx s VAL 100 Cb 0.01 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2gjx s VAL 100 CO 0.78 -0.08 1.63 0.74 0.00 0.00 0.00 175.10 178.17 2gjx h THR 101 N 5.52 0.39 0.00 3.92 2.02 -1.88 -3.43 112.91 119.44 2gjx h THR 101 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2gjx h THR 101 Cb 1.16 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2gjx h THR 101 CO 0.96 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 176.04 2gjx n PRO 102 N -5.38 0.00 0.00 6.66 -0.04 -1.26 -4.31 135.00 130.67 2gjx n PRO 102 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2gjx n PRO 102 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 2gjx n PRO 102 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gjx n GLY 103 N 2.33 1.61 0.81 0.55 0.00 -1.26 -4.77 105.19 104.46 2gjx n GLY 103 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2gjx n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gjx n ASN 105 N 0.87 0.00 -4.59 0.00 0.23 -1.26 -4.03 115.26 106.48 2gjx n ASN 105 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.76 2gjx n ASN 105 Cb 0.00 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 37.91 2gjx n ASN 105 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 2gjx s GLN 106 N 0.00 0.02 -0.12 -3.83 -1.52 -1.06 -5.04 119.66 108.11 2gjx s GLN 106 Ca 0.00 1.00 -0.03 0.00 -1.95 0.00 0.00 55.36 54.37 2gjx s GLN 106 Cb 0.00 -1.65 -0.03 0.00 -0.22 0.00 0.00 33.01 31.11 2gjx s GLN 106 CO 0.00 -3.14 0.00 -0.51 -0.25 0.00 0.00 175.29 171.39 2gjx s LEU 107 N -6.85 3.52 0.43 2.90 2.01 -1.26 -5.01 118.68 114.43 2gjx s LEU 107 Ca 0.67 0.05 -0.25 0.00 0.01 0.00 0.00 54.13 54.61 2gjx s LEU 107 Cb -0.23 -1.83 -0.08 0.00 0.01 0.00 0.00 46.19 44.06 2gjx s LEU 107 CO 0.61 0.28 1.33 -2.16 1.01 0.00 0.00 176.35 177.42 2gjx s PRO 108 N -0.28 3.82 0.43 1.29 0.04 -1.26 -5.02 135.00 134.01 2gjx s PRO 108 Ca 0.06 2.22 0.04 0.00 0.04 0.00 0.00 61.00 63.35 2gjx s PRO 108 Cb -0.12 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.73 2gjx s PRO 108 CO 0.02 -0.63 0.13 0.25 0.04 0.00 0.00 177.00 176.81 2gjx n THR 109 N -0.07 0.00 0.06 1.26 -2.24 -1.26 -4.82 114.28 107.21 2gjx n THR 109 Ca 0.05 -2.43 -0.05 0.00 -2.27 0.00 0.00 64.05 59.35 2gjx n THR 109 Cb 0.43 0.84 0.15 0.00 -2.10 0.00 0.00 70.33 69.65 2gjx n THR 109 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2gjx h LEU 110 N 0.00 0.36 -3.68 3.22 5.85 -1.95 -3.08 115.31 116.03 2gjx h LEU 110 Ca -0.34 -0.17 -0.33 0.00 0.84 0.00 0.00 57.88 57.88 2gjx h LEU 110 Cb 1.25 -0.10 -0.20 0.00 0.37 0.00 0.00 40.66 41.98 2gjx h LEU 110 CO 0.53 0.79 0.42 -0.62 -0.34 0.00 0.00 178.44 179.22 2gjx n GLU 111 N -3.97 2.90 -3.10 1.25 4.71 -1.26 -4.86 120.64 116.30 2gjx n GLU 111 Ca -0.02 -2.80 -0.41 0.00 -0.01 0.00 0.00 57.16 53.92 2gjx n GLU 111 Cb 0.54 -2.12 -0.06 0.00 -1.01 0.00 0.00 31.44 28.79 2gjx n GLU 111 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2gjx s SER 112 N -0.98 6.49 -0.01 1.62 0.15 -1.17 -5.03 113.70 114.78 2gjx s SER 112 Ca 0.52 0.39 -0.30 0.00 0.70 0.00 0.00 55.95 57.25 2gjx s SER 112 Cb 0.42 -2.34 -0.06 0.00 -1.71 0.00 0.00 66.02 62.34 2gjx s SER 112 CO 0.11 -0.51 1.49 -0.69 1.20 0.00 0.00 173.24 174.85 2gjx s VAL 113 N 2.66 3.59 -0.23 4.45 1.01 -1.26 -4.92 120.40 125.69 2gjx s VAL 113 Ca 0.26 0.92 0.14 0.00 0.00 0.00 0.00 61.98 63.30 2gjx s VAL 113 Cb -0.15 -3.59 0.62 0.00 0.00 0.00 0.00 36.38 33.26 2gjx s VAL 113 CO 0.12 -0.02 1.56 -0.62 0.00 0.00 0.00 175.10 176.14 2gjx n GLU 114 N 5.87 3.27 -1.82 2.72 1.02 -1.26 -4.27 120.64 126.17 2gjx n GLU 114 Ca 0.15 -2.99 -0.40 0.00 -0.02 0.00 0.00 57.16 53.90 2gjx n GLU 114 Cb 0.43 -1.99 0.02 0.00 -0.02 0.00 0.00 31.44 29.88 2gjx n GLU 114 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2gjx s ASN 115 N -1.65 5.81 0.03 1.62 -0.87 -1.26 -4.46 114.94 114.15 2gjx s ASN 115 Ca 0.47 2.87 -0.28 0.00 -1.57 0.00 0.00 52.86 54.35 2gjx s ASN 115 Cb 0.38 -2.65 0.08 0.00 -0.02 0.00 0.00 41.25 39.04 2gjx s ASN 115 CO 0.10 -1.21 0.69 -0.72 -2.57 0.00 0.00 177.10 173.38 2gjx s TYR 116 N -1.23 -0.57 -0.04 2.20 1.13 -0.97 -2.04 117.35 115.83 2gjx s TYR 116 Ca 0.62 0.72 0.02 0.00 -1.41 0.00 0.00 57.07 57.02 2gjx s TYR 116 Cb -0.43 0.48 0.01 0.00 -1.10 0.00 0.00 41.96 40.92 2gjx s TYR 116 CO 0.54 -0.68 -0.08 0.95 -2.51 0.00 0.00 175.55 173.77 2gjx s THR 117 N -2.32 0.77 -0.33 -3.49 -4.23 0.17 -1.57 115.64 104.64 2gjx s THR 117 Ca -0.05 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.14 2gjx s THR 117 Cb -0.00 -0.71 0.07 0.00 1.34 0.00 0.00 72.50 73.20 2gjx s THR 117 CO -0.01 0.26 0.05 -0.22 -0.54 0.00 0.00 174.62 174.15 2gjx s LEU 118 N 0.45 4.31 -0.21 4.79 2.96 0.15 -1.36 118.68 129.77 2gjx s LEU 118 Ca -0.07 -1.60 -0.02 0.00 -0.22 0.00 0.00 54.13 52.22 2gjx s LEU 118 Cb -0.11 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.87 2gjx s LEU 118 CO 0.01 -0.34 -0.10 0.28 -1.32 0.00 0.00 176.35 174.88 2gjx s THR 119 N 1.16 2.86 -0.15 3.68 -1.32 -1.00 -0.06 115.64 120.80 2gjx s THR 119 Ca -0.00 -0.71 -0.00 0.00 -1.21 0.00 0.00 61.69 59.76 2gjx s THR 119 Cb -0.20 -2.29 0.04 0.00 -1.51 0.00 0.00 72.50 68.53 2gjx s THR 119 CO -0.03 0.44 -0.06 -0.63 -2.21 0.00 0.00 174.62 172.12 2gjx s ILE 120 N 1.39 1.08 0.00 5.08 1.01 0.32 -1.66 121.20 128.42 2gjx s ILE 120 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2gjx s ILE 120 Cb -0.14 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.13 2gjx s ILE 120 CO -0.07 0.22 0.00 -0.46 0.00 0.00 0.00 174.94 174.63 2gjx n ASN 121 N 4.90 0.00 -0.19 3.58 6.94 0.15 -1.78 115.26 128.86 2gjx n ASN 121 Ca -0.12 -0.56 0.05 0.00 -0.02 0.00 0.00 54.58 53.93 2gjx n ASN 121 Cb 0.49 0.00 0.33 0.00 -2.36 0.00 0.00 39.78 38.24 2gjx n ASN 121 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2gjx h ASP 122 N 0.00 0.70 0.00 0.53 5.19 -2.01 -3.21 116.42 117.62 2gjx h ASP 122 Ca 0.00 -0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 2gjx h ASP 122 Cb 0.00 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.33 2gjx h ASP 122 CO 0.00 0.47 -1.77 0.47 -3.12 0.00 0.00 179.24 175.28 2gjx n ASP 123 N -4.47 1.86 -4.37 6.45 10.43 -1.26 -5.02 116.55 120.16 2gjx n ASP 123 Ca 0.10 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.17 2gjx n ASP 123 Cb 0.19 1.15 -0.13 0.00 1.84 0.00 0.00 41.12 44.16 2gjx n ASP 123 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 2gjx s GLN 124 N -2.57 1.46 -0.41 -1.24 -0.21 -1.21 -5.03 119.66 110.44 2gjx s GLN 124 Ca -0.06 -1.28 0.09 0.00 0.02 0.00 0.00 55.36 54.13 2gjx s GLN 124 Cb 0.06 -1.88 0.32 0.00 1.00 0.00 0.00 33.01 32.51 2gjx s GLN 124 CO 0.54 0.45 0.86 0.00 -2.12 0.00 0.00 175.29 175.02 2gjx s LEU 126 N -2.07 3.45 -0.70 0.00 2.96 -0.67 -0.82 118.68 120.84 2gjx s LEU 126 Ca 0.32 -0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 54.07 2gjx s LEU 126 Cb 0.30 -1.84 0.18 0.00 0.50 0.00 0.00 46.19 45.33 2gjx s LEU 126 CO -0.09 0.20 0.62 -0.22 -1.32 0.00 0.00 176.35 175.54 2gjx s LEU 127 N 0.19 6.34 -0.39 -0.68 1.98 0.26 -2.38 118.68 124.00 2gjx s LEU 127 Ca 0.00 -2.41 -0.18 0.00 -2.89 0.00 0.00 54.13 48.65 2gjx s LEU 127 Cb -0.13 -2.15 0.01 0.00 0.66 0.00 0.00 46.19 44.58 2gjx s LEU 127 CO 0.02 -0.63 0.52 -0.22 -1.89 0.00 0.00 176.35 174.15 2gjx s LEU 128 N 0.61 4.50 0.19 -0.68 2.96 -0.46 -2.48 118.68 123.32 2gjx s LEU 128 Ca 0.13 -0.25 0.11 0.00 -0.22 0.00 0.00 54.13 53.90 2gjx s LEU 128 Cb -0.18 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 2gjx s LEU 128 CO -0.04 -0.56 -0.24 -0.94 -1.32 0.00 0.00 176.35 173.24 2gjx s SER 129 N 1.83 3.42 -0.08 3.68 1.04 -0.98 0.44 113.70 123.04 2gjx s SER 129 Ca 0.18 -0.86 -0.19 0.00 0.48 0.00 0.00 55.95 55.56 2gjx s SER 129 Cb -0.16 -0.25 -0.15 0.00 0.10 0.00 0.00 66.02 65.56 2gjx s SER 129 CO 0.15 0.13 0.69 -0.08 0.98 0.00 0.00 173.24 175.10 2gjx h GLU 130 N 3.27 -0.11 -5.67 4.02 4.57 -1.70 -2.30 114.58 116.66 2gjx h GLU 130 Ca -0.47 0.01 -0.62 0.00 -1.18 0.00 0.00 59.36 57.10 2gjx h GLU 130 Cb 1.20 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 29.71 2gjx h GLU 130 CO 0.47 0.39 -0.55 0.99 -1.18 0.00 0.00 179.01 179.13 2gjx s THR 131 N -2.76 1.95 0.45 0.32 2.01 -1.26 -0.24 115.64 116.10 2gjx s THR 131 Ca -0.12 -1.90 0.13 0.00 0.31 0.00 0.00 61.69 60.11 2gjx s THR 131 Cb -0.01 -2.85 0.20 0.00 0.01 0.00 0.00 72.50 69.86 2gjx s THR 131 CO 0.44 0.00 2.01 0.58 -0.69 0.00 0.00 174.62 176.97 2gjx h VAL 132 N 1.58 1.11 0.00 3.82 2.07 -1.90 -1.58 116.25 121.35 2gjx h VAL 132 Ca -0.43 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.49 2gjx h VAL 132 Cb 1.26 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2gjx h VAL 132 CO 0.76 0.15 -0.49 -0.50 0.02 0.00 0.00 177.57 177.51 2gjx h TRP 133 N 0.10 0.00 0.00 1.57 4.06 -1.96 -2.74 115.95 116.97 2gjx h TRP 133 Ca 0.02 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.90 2gjx h TRP 133 Cb 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 2gjx h TRP 133 CO 0.00 0.49 -0.33 0.78 -3.56 0.00 0.00 178.44 175.82 2gjx h GLY 134 N 2.47 0.00 1.10 1.49 0.00 -1.52 -2.80 103.07 103.82 2gjx h GLY 134 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 2gjx h GLY 134 CO 0.06 0.00 -0.49 0.00 0.00 0.00 0.00 176.54 176.11 2gjx h ALA 135 N 1.67 0.44 -0.47 3.60 0.00 -1.16 -1.94 119.26 121.40 2gjx h ALA 135 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2gjx h ALA 135 Cb 0.96 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2gjx h ALA 135 CO 0.04 0.62 0.27 -0.07 0.00 0.00 0.00 179.25 180.12 2gjx h LEU 136 N 0.61 0.58 -1.08 0.00 3.38 -1.40 0.23 115.31 117.63 2gjx h LEU 136 Ca 0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2gjx h LEU 136 Cb 1.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2gjx h LEU 136 CO 0.11 0.49 0.28 0.03 0.09 0.00 0.00 178.44 179.44 2gjx h ARG 137 N 0.63 0.94 -0.30 1.13 2.47 -1.49 -2.40 114.38 115.35 2gjx h ARG 137 Ca 0.17 -0.14 -0.12 0.00 -1.26 0.00 0.00 59.98 58.63 2gjx h ARG 137 Cb 0.02 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 2gjx h ARG 137 CO -0.03 0.74 -0.27 0.78 0.56 0.00 0.00 179.97 181.75 2gjx h GLY 138 N 1.01 0.79 1.12 0.04 0.00 -0.68 -2.66 103.07 102.69 2gjx h GLY 138 Ca 0.22 -0.79 0.02 0.00 0.00 0.00 0.00 47.33 46.78 2gjx h GLY 138 CO -0.02 0.71 0.56 1.41 0.00 0.00 0.00 176.54 179.20 2gjx h LEU 139 N 0.48 0.95 -0.24 3.11 3.38 -0.35 0.63 115.31 123.27 2gjx h LEU 139 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2gjx h LEU 139 Cb 0.84 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2gjx h LEU 139 CO 0.07 0.68 0.05 -0.08 0.09 0.00 0.00 178.44 179.24 2gjx h GLU 140 N 1.11 0.39 -0.68 1.13 4.57 -1.38 -0.60 114.58 119.13 2gjx h GLU 140 Ca 0.32 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 2gjx h GLU 140 Cb -0.07 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 2gjx h GLU 140 CO -0.08 0.51 0.38 1.15 -1.18 0.00 0.00 179.01 179.79 2gjx h THR 141 N 0.20 1.21 -0.84 0.32 2.02 -1.08 -2.23 112.91 112.51 2gjx h THR 141 Ca 0.07 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 2gjx h THR 141 Cb 0.30 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 2gjx h THR 141 CO 0.00 0.23 0.53 0.15 0.37 0.00 0.00 175.52 176.80 2gjx h PHE 142 N 0.93 1.09 -0.21 3.16 3.57 -0.74 -2.65 116.94 122.10 2gjx h PHE 142 Ca 0.24 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 2gjx h PHE 142 Cb 0.03 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 2gjx h PHE 142 CO -0.01 0.72 -0.11 0.66 -2.23 0.00 0.00 178.31 177.34 2gjx h SER 143 N 1.15 0.32 0.38 0.41 4.64 -0.58 -2.34 113.55 117.53 2gjx h SER 143 Ca 0.30 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2gjx h SER 143 Cb -0.08 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2gjx h SER 143 CO -0.06 0.47 -0.06 0.00 -0.87 0.00 0.00 176.83 176.31 2gjx n GLN 144 N -4.25 0.66 0.00 4.77 6.02 -0.89 -3.44 117.38 120.25 2gjx n GLN 144 Ca -0.00 -0.15 0.11 0.00 -0.01 0.00 0.00 57.00 56.95 2gjx n GLN 144 Cb 0.28 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.00 2gjx n GLN 144 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gjx n LEU 145 N -1.04 1.58 -4.73 1.08 4.77 -0.88 -4.67 117.00 113.10 2gjx n LEU 145 Ca 0.16 -0.64 -0.41 0.00 -0.03 0.00 0.00 56.01 55.09 2gjx n LEU 145 Cb 0.25 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2gjx n LEU 145 CO 0.23 0.32 0.62 -0.69 -1.33 0.00 0.00 177.39 176.54 2gjx s VAL 146 N -2.70 4.55 0.06 4.08 1.01 -1.22 -4.53 120.40 121.64 2gjx s VAL 146 Ca 0.14 1.98 -0.04 0.00 0.00 0.00 0.00 61.98 64.06 2gjx s VAL 146 Cb 0.17 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2gjx s VAL 146 CO 0.70 0.33 0.06 -1.66 0.00 0.00 0.00 175.10 174.53 2gjx s TRP 147 N -0.03 0.35 -0.05 5.22 1.48 -0.97 -5.00 118.94 119.94 2gjx s TRP 147 Ca 0.45 -0.82 0.04 0.00 -1.06 0.00 0.00 56.10 54.71 2gjx s TRP 147 Cb -0.23 -0.24 -0.03 0.00 -1.16 0.00 0.00 33.47 31.82 2gjx s TRP 147 CO 0.28 -0.43 -0.15 0.15 -4.06 0.00 0.00 176.95 172.75 2gjx s LYS 148 N -3.66 2.50 0.84 3.25 1.02 -1.26 -1.27 119.74 121.17 2gjx s LYS 148 Ca 0.04 -0.71 -0.14 0.00 0.02 0.00 0.00 55.97 55.18 2gjx s LYS 148 Cb 0.05 -2.36 0.19 0.00 -0.52 0.00 0.00 37.83 35.20 2gjx s LYS 148 CO -0.09 0.61 1.12 -1.13 -0.92 0.00 0.00 175.35 174.93 2gjx n SER 149 N 2.36 -0.02 0.25 2.83 3.41 -0.54 -4.83 113.62 117.08 2gjx n SER 149 Ca -0.17 -1.39 0.09 0.00 -0.26 0.00 0.00 58.87 57.13 2gjx n SER 149 Cb 0.52 -0.86 0.64 0.00 -0.26 0.00 0.00 64.21 64.25 2gjx n SER 149 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gjx h ALA 150 N -1.87 1.72 0.00 7.33 0.00 -2.00 0.56 119.26 125.00 2gjx h ALA 150 Ca -0.36 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2gjx h ALA 150 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2gjx h ALA 150 CO 0.26 0.11 0.00 0.93 0.00 0.00 0.00 179.25 180.55 2gjx h GLU 151 N 0.00 0.00 0.00 0.00 3.07 -2.05 -3.47 114.58 112.14 2gjx h GLU 151 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2gjx h GLU 151 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2gjx h GLU 151 CO 0.01 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 2gjx n GLY 152 N 0.82 0.77 3.74 -3.84 0.00 0.19 -5.07 105.19 101.80 2gjx n GLY 152 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2gjx n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gjx s THR 153 N -2.01 3.35 0.13 2.61 2.01 -1.26 -4.58 115.64 115.89 2gjx s THR 153 Ca 0.00 1.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.84 2gjx s THR 153 Cb 0.00 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 2gjx s THR 153 CO 0.00 0.18 0.91 -0.36 -0.69 0.00 0.00 174.62 174.66 2gjx s PHE 154 N -0.01 3.85 0.07 4.92 0.08 -1.26 -1.46 117.98 124.17 2gjx s PHE 154 Ca 0.55 1.76 -0.06 0.00 0.12 0.00 0.00 56.93 59.30 2gjx s PHE 154 Cb -0.35 -2.98 -0.01 0.00 -0.57 0.00 0.00 43.02 39.11 2gjx s PHE 154 CO 0.38 0.30 0.11 -0.06 -0.10 0.00 0.00 175.22 175.85 2gjx s PHE 155 N -0.35 0.28 -0.02 0.36 0.08 -0.40 -2.28 117.98 115.65 2gjx s PHE 155 Ca 0.43 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.74 2gjx s PHE 155 Cb -0.23 -0.17 0.02 0.00 -0.57 0.00 0.00 43.02 42.06 2gjx s PHE 155 CO 0.29 -0.49 0.00 0.42 -0.10 0.00 0.00 175.22 175.35 2gjx s ILE 156 N -3.86 0.11 0.46 0.64 1.09 -0.90 -2.28 121.20 116.45 2gjx s ILE 156 Ca 0.05 0.07 -0.10 0.00 -1.10 0.00 0.00 60.65 59.58 2gjx s ILE 156 Cb 0.06 -0.18 -0.05 0.00 -1.06 0.00 0.00 42.46 41.23 2gjx s ILE 156 CO -0.11 0.10 0.83 0.20 -0.10 0.00 0.00 174.94 175.86 2gjx s ASN 157 N 0.70 6.42 -0.12 3.58 -0.87 -1.26 -1.99 114.94 121.41 2gjx s ASN 157 Ca -0.06 1.15 -0.29 0.00 -1.57 0.00 0.00 52.86 52.09 2gjx s ASN 157 Cb -0.09 -2.34 -0.07 0.00 -0.02 0.00 0.00 41.25 38.73 2gjx s ASN 157 CO -0.02 -0.52 2.12 1.17 -2.57 0.00 0.00 177.10 177.29 2gjx n LYS 158 N -1.77 2.33 -4.35 -0.60 4.81 -0.88 -4.89 118.16 112.81 2gjx n LYS 158 Ca 0.03 0.74 -0.22 0.00 -0.87 0.00 0.00 58.31 57.99 2gjx n LYS 158 Cb 0.54 -3.14 -0.13 0.00 0.02 0.00 0.00 35.03 32.32 2gjx n LYS 158 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2gjx s THR 159 N 6.75 1.42 -0.26 3.15 -4.23 -0.73 -1.59 115.64 120.15 2gjx s THR 159 Ca 0.96 -1.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.17 2gjx s THR 159 Cb -0.38 -1.29 0.08 0.00 1.34 0.00 0.00 72.50 72.25 2gjx s THR 159 CO 0.38 -0.03 0.05 -0.70 -0.54 0.00 0.00 174.62 173.78 2gjx s GLU 160 N -1.53 0.89 -0.06 3.99 2.56 -0.36 -0.52 118.70 123.67 2gjx s GLU 160 Ca 0.04 -0.87 0.05 0.00 0.00 0.00 0.00 54.97 54.19 2gjx s GLU 160 Cb -0.09 -2.18 -0.00 0.00 2.00 0.00 0.00 34.13 33.86 2gjx s GLU 160 CO 0.03 -0.80 -0.21 0.42 -0.56 0.00 0.00 175.26 174.14 2gjx s ILE 161 N 1.63 1.73 -0.27 -3.70 1.09 0.91 -1.82 121.20 120.78 2gjx s ILE 161 Ca 0.03 -0.87 -0.01 0.00 -1.10 0.00 0.00 60.65 58.70 2gjx s ILE 161 Cb -0.18 -1.48 0.08 0.00 -1.06 0.00 0.00 42.46 39.83 2gjx s ILE 161 CO -0.15 0.49 0.06 -0.70 -0.10 0.00 0.00 174.94 174.53 2gjx s GLU 162 N 0.04 0.89 0.13 2.79 2.12 -1.02 -0.67 118.70 122.97 2gjx s GLU 162 Ca -0.06 -0.95 0.09 0.00 0.36 0.00 0.00 54.97 54.40 2gjx s GLU 162 Cb -0.13 -2.18 -0.04 0.00 0.26 0.00 0.00 34.13 32.03 2gjx s GLU 162 CO 0.04 -0.84 -0.21 0.34 -0.54 0.00 0.00 175.26 174.05 2gjx s ASP 163 N 1.60 2.67 -0.17 -1.70 2.15 -0.61 -2.35 116.67 118.25 2gjx s ASP 163 Ca 0.05 -0.75 -0.28 0.00 0.43 0.00 0.00 52.55 52.00 2gjx s ASP 163 Cb -0.18 -0.15 0.08 0.00 -0.30 0.00 0.00 42.92 42.37 2gjx s ASP 163 CO -0.17 0.04 0.74 0.72 -0.17 0.00 0.00 175.17 176.32 2gjx s PHE 164 N -1.45 -0.69 0.28 -5.34 -0.71 -1.26 -2.30 117.98 106.50 2gjx s PHE 164 Ca 0.10 1.47 -0.29 0.00 -1.04 0.00 0.00 56.93 57.17 2gjx s PHE 164 Cb -0.09 0.34 -0.10 0.00 -1.21 0.00 0.00 43.02 41.97 2gjx s PHE 164 CO 0.05 -0.47 1.39 -1.25 -1.34 0.00 0.00 175.22 173.60 2gjx s PRO 165 N -0.38 4.30 -0.02 1.99 0.04 -1.26 -4.78 135.00 134.89 2gjx s PRO 165 Ca -0.05 2.27 -0.24 0.00 0.04 0.00 0.00 61.00 63.03 2gjx s PRO 165 Cb -0.03 -3.09 -0.20 0.00 0.04 0.00 0.00 34.50 31.22 2gjx s PRO 165 CO 0.04 -0.33 1.19 -0.09 0.04 0.00 0.00 177.00 177.85 2gjx h ARG 166 N 4.36 0.18 -6.01 4.56 2.43 -1.35 -3.44 114.38 115.11 2gjx h ARG 166 Ca -0.47 -0.13 -0.68 0.00 -0.81 0.00 0.00 59.98 57.89 2gjx h ARG 166 Cb 1.22 0.02 -0.25 0.00 -0.42 0.00 0.00 29.97 30.54 2gjx h ARG 166 CO 0.73 0.74 -0.77 -0.06 -1.51 0.00 0.00 179.97 179.09 2gjx s PHE 167 N -3.80 2.72 -0.01 2.20 0.08 -0.72 -5.02 117.98 113.43 2gjx s PHE 167 Ca -0.15 -0.33 0.27 0.00 0.12 0.00 0.00 56.93 56.84 2gjx s PHE 167 Cb 0.02 -1.69 0.92 0.00 -0.57 0.00 0.00 43.02 41.70 2gjx s PHE 167 CO 0.72 0.05 1.82 -1.00 -0.10 0.00 0.00 175.22 176.71 2gjx h PRO 168 N 5.78 0.00 -4.60 0.24 0.13 -1.85 -3.42 132.00 128.29 2gjx h PRO 168 Ca -0.40 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.04 2gjx h PRO 168 Cb 1.17 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.97 2gjx h PRO 168 CO 0.52 0.12 -0.60 -1.58 -0.23 0.00 0.00 178.00 176.22 2gjx s HIS 169 N -3.52 3.43 -0.28 1.56 2.46 -0.64 -4.95 115.29 113.35 2gjx s HIS 169 Ca 0.02 -2.07 -0.01 0.00 0.47 0.00 0.00 55.06 53.47 2gjx s HIS 169 Cb 0.09 -2.74 0.09 0.00 -0.13 0.00 0.00 32.58 29.88 2gjx s HIS 169 CO 0.62 -0.88 0.06 1.03 -2.47 0.00 0.00 174.74 173.10 2gjx s ARG 170 N 1.22 0.83 0.47 2.88 0.52 -1.26 -1.56 118.95 122.04 2gjx s ARG 170 Ca 0.02 -0.94 0.03 0.00 -0.52 0.00 0.00 55.73 54.32 2gjx s ARG 170 Cb -0.21 -2.12 -0.01 0.00 0.52 0.00 0.00 34.95 33.12 2gjx s ARG 170 CO -0.02 -0.86 0.08 0.20 0.02 0.00 0.00 175.30 174.72 2gjx s GLY 171 N 1.62 2.86 -0.04 -3.53 0.00 -0.80 0.21 107.32 107.64 2gjx s GLY 171 Ca 0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 44.72 44.03 2gjx s GLY 171 CO -0.19 -2.00 0.08 -2.27 0.00 0.00 0.00 173.10 168.73 2gjx s LEU 172 N -3.74 0.79 -0.20 0.66 0.20 -0.13 -1.87 118.68 114.38 2gjx s LEU 172 Ca 0.14 0.15 -0.12 0.00 0.69 0.00 0.00 54.13 54.99 2gjx s LEU 172 Cb 0.01 0.10 -0.05 0.00 -0.43 0.00 0.00 46.19 45.82 2gjx s LEU 172 CO 0.09 -0.16 0.20 -0.22 -0.29 0.00 0.00 176.35 175.98 2gjx s LEU 173 N 1.29 4.18 -0.16 -0.68 0.20 0.12 -0.97 118.68 122.67 2gjx s LEU 173 Ca -0.07 0.29 0.01 0.00 0.69 0.00 0.00 54.13 55.05 2gjx s LEU 173 Cb -0.12 -2.20 0.01 0.00 -0.43 0.00 0.00 46.19 43.45 2gjx s LEU 173 CO -0.04 0.10 -0.20 -0.76 -0.29 0.00 0.00 176.35 175.16 2gjx s LEU 174 N 0.69 2.17 -0.33 -0.68 1.02 -1.10 -0.65 118.68 119.80 2gjx s LEU 174 Ca 0.11 -0.61 -0.19 0.00 0.02 0.00 0.00 54.13 53.45 2gjx s LEU 174 Cb -0.13 -1.48 -0.01 0.00 0.02 0.00 0.00 46.19 44.60 2gjx s LEU 174 CO 0.02 0.03 0.59 -0.62 0.02 0.00 0.00 176.35 176.39 2gjx s ASP 175 N 1.09 6.41 -0.22 2.29 -1.08 -1.05 -2.70 116.67 121.41 2gjx s ASP 175 Ca -0.00 0.22 0.13 0.00 -0.52 0.00 0.00 52.55 52.38 2gjx s ASP 175 Cb -0.14 -2.31 0.45 0.00 -1.46 0.00 0.00 42.92 39.47 2gjx s ASP 175 CO -0.08 -0.50 1.35 0.35 0.52 0.00 0.00 175.17 176.81 2gjx n THR 176 N 5.44 2.30 -0.09 1.71 -2.24 -1.15 -4.19 114.28 116.06 2gjx n THR 176 Ca -0.02 -2.56 -0.17 0.00 -2.27 0.00 0.00 64.05 59.03 2gjx n THR 176 Cb 0.49 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.37 2gjx n THR 176 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2gjx n SER 177 N -1.05 1.92 0.11 3.42 2.88 -1.25 -4.11 113.62 115.55 2gjx n SER 177 Ca 0.24 0.08 0.01 0.00 -1.33 0.00 0.00 58.87 57.88 2gjx n SER 177 Cb 0.86 -0.43 0.35 0.00 -0.75 0.00 0.00 64.21 64.24 2gjx n SER 177 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2gjx h ARG 178 N -0.37 0.24 -2.87 -1.46 -0.00 -1.84 -3.29 114.38 104.79 2gjx h ARG 178 Ca -0.44 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.98 58.80 2gjx h ARG 178 Cb 1.51 -0.03 -0.29 0.00 0.00 0.00 0.00 29.97 31.16 2gjx h ARG 178 CO -0.19 0.44 -0.43 -1.01 0.00 0.00 0.00 179.97 178.78 2gjx s HIS 179 N -4.58 -0.44 0.21 3.04 3.76 -1.26 -4.87 115.29 111.15 2gjx s HIS 179 Ca -0.05 0.99 -0.30 0.00 -0.15 0.00 0.00 55.06 55.55 2gjx s HIS 179 Cb 0.15 0.11 -0.08 0.00 1.11 0.00 0.00 32.58 33.87 2gjx s HIS 179 CO 0.74 -0.29 1.20 -0.47 -0.85 0.00 0.00 174.74 175.07 2gjx s TYR 180 N 1.49 3.41 -0.15 1.40 5.04 -1.26 -4.12 117.35 123.15 2gjx s TYR 180 Ca -0.08 1.44 -0.01 0.00 -2.44 0.00 0.00 57.07 55.98 2gjx s TYR 180 Cb -0.10 -3.44 -0.01 0.00 0.35 0.00 0.00 41.96 38.76 2gjx s TYR 180 CO -0.10 -1.22 -0.12 -0.51 -1.34 0.00 0.00 175.55 172.25 2gjx s LEU 181 N -0.47 2.66 0.91 6.97 1.43 -1.26 -4.54 118.68 124.39 2gjx s LEU 181 Ca 0.52 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 2gjx s LEU 181 Cb -0.33 -1.62 0.09 0.00 0.03 0.00 0.00 46.19 44.36 2gjx s LEU 181 CO 0.38 0.10 0.81 -2.65 0.23 0.00 0.00 176.35 175.23 2gjx n PRO 182 N 3.94 -0.29 -0.18 1.29 -0.02 -1.26 -4.83 135.00 133.65 2gjx n PRO 182 Ca -0.18 -0.03 -0.06 0.00 -2.02 0.00 0.00 63.50 61.21 2gjx n PRO 182 Cb 0.52 -2.14 0.04 0.00 -0.02 0.00 0.00 33.50 31.90 2gjx n PRO 182 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2gjx h LEU 183 N -1.59 0.52 -0.90 2.45 5.85 -1.99 -2.52 115.31 117.13 2gjx h LEU 183 Ca -0.44 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.33 2gjx h LEU 183 Cb 1.28 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 2gjx h LEU 183 CO 0.39 0.37 0.58 0.77 -0.34 0.00 0.00 178.44 180.20 2gjx h SER 184 N 0.64 0.95 -1.00 1.25 4.64 -1.99 -1.40 113.55 116.63 2gjx h SER 184 Ca 0.21 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.55 2gjx h SER 184 Cb 0.01 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 61.83 2gjx h SER 184 CO -0.09 0.64 0.66 0.28 -0.87 0.00 0.00 176.83 177.45 2gjx h SER 185 N 1.10 1.12 -0.10 4.97 0.02 -1.81 -0.19 113.55 118.67 2gjx h SER 185 Ca 0.37 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.18 2gjx h SER 185 Cb 0.04 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2gjx h SER 185 CO -0.13 0.78 -0.39 0.40 -1.14 0.00 0.00 176.83 176.35 2gjx h ILE 186 N 1.30 1.39 -0.89 3.27 2.04 -1.23 -2.61 117.51 120.79 2gjx h ILE 186 Ca 0.39 -1.74 0.04 0.00 1.00 0.00 0.00 64.86 64.54 2gjx h ILE 186 Cb -0.06 2.22 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 2gjx h ILE 186 CO -0.11 0.51 0.57 -0.07 0.00 0.00 0.00 178.15 179.06 2gjx h LEU 187 N -0.01 0.94 -0.94 1.44 3.38 -1.00 -1.42 115.31 117.70 2gjx h LEU 187 Ca -0.02 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2gjx h LEU 187 Cb 1.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2gjx h LEU 187 CO 0.08 0.64 0.27 0.44 0.09 0.00 0.00 178.44 179.97 2gjx h ASP 188 N 1.10 0.96 -0.83 -0.43 3.45 -1.05 -2.02 116.42 117.59 2gjx h ASP 188 Ca 0.36 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.66 2gjx h ASP 188 Cb 0.03 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 38.51 2gjx h ASP 188 CO -0.13 0.86 0.47 0.74 -1.57 0.00 0.00 179.24 179.61 2gjx h THR 189 N 1.02 1.24 -0.84 0.35 2.02 -0.89 -2.11 112.91 113.70 2gjx h THR 189 Ca 0.24 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2gjx h THR 189 Cb 0.20 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.69 2gjx h THR 189 CO -0.02 0.26 0.46 -0.07 0.37 0.00 0.00 175.52 176.53 2gjx h LEU 190 N 1.15 1.05 -0.44 2.58 3.38 -0.78 0.23 115.31 122.48 2gjx h LEU 190 Ca 0.29 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.20 2gjx h LEU 190 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 2gjx h LEU 190 CO -0.05 0.85 0.23 0.44 0.09 0.00 0.00 178.44 180.00 2gjx h ASP 191 N 1.18 0.33 0.34 -0.43 3.32 -0.82 -1.53 116.42 118.80 2gjx h ASP 191 Ca 0.30 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.21 2gjx h ASP 191 Cb 0.03 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2gjx h ASP 191 CO -0.05 0.24 -0.64 0.58 -1.72 0.00 0.00 179.24 177.65 2gjx h VAL 192 N 0.45 1.39 -0.51 -1.35 2.07 -1.00 -2.12 116.25 115.18 2gjx h VAL 192 Ca 0.19 -2.03 -0.00 0.00 0.82 0.00 0.00 66.70 65.67 2gjx h VAL 192 Cb 0.09 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2gjx h VAL 192 CO -0.13 0.60 0.30 0.24 0.02 0.00 0.00 177.57 178.60 2gjx h MET 193 N 0.21 0.68 0.00 1.57 2.86 -0.63 -1.61 114.93 118.01 2gjx h MET 193 Ca -0.01 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 2gjx h MET 193 Cb 1.16 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 2gjx h MET 193 CO 0.10 0.49 -0.62 0.00 1.06 0.00 0.00 176.91 177.94 2gjx h ALA 194 N 1.63 0.83 -0.30 6.32 0.00 -0.89 -2.54 119.26 124.32 2gjx h ALA 194 Ca 0.18 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2gjx h ALA 194 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2gjx h ALA 194 CO -0.03 0.77 -0.01 1.88 0.00 0.00 0.00 179.25 181.86 2gjx h TYR 195 N 0.00 0.59 -0.67 0.00 0.05 -0.66 -3.41 116.97 112.87 2gjx h TYR 195 Ca -0.01 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.67 2gjx h TYR 195 Cb 1.20 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.79 2gjx h TYR 195 CO 0.00 0.68 0.00 0.09 -1.05 0.00 0.00 178.16 177.88 2gjx n ASN 196 N -4.56 0.00 -2.29 3.88 5.03 -0.74 -4.81 115.26 111.77 2gjx n ASN 196 Ca -0.03 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.32 2gjx n ASN 196 Cb 0.26 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.07 2gjx n ASN 196 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2gjx n LYS 197 N 0.00 2.51 -2.60 3.52 5.02 -1.18 -4.88 118.16 120.55 2gjx n LYS 197 Ca 0.00 -3.73 -0.42 0.00 -2.02 0.00 0.00 58.31 52.14 2gjx n LYS 197 Cb 0.00 -1.84 -0.04 0.00 -0.02 0.00 0.00 35.03 33.13 2gjx n LYS 197 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gjx s LEU 198 N -3.51 4.43 0.00 -0.35 2.01 -0.96 -4.89 118.68 115.41 2gjx s LEU 198 Ca 0.39 1.88 0.00 0.00 0.01 0.00 0.00 54.13 56.41 2gjx s LEU 198 Cb 0.37 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.98 2gjx s LEU 198 CO -0.01 -0.25 0.86 -0.46 1.01 0.00 0.00 176.35 177.49 2gjx n ASN 199 N 3.26 1.70 -3.90 2.29 0.23 0.13 -4.47 115.26 114.50 2gjx n ASN 199 Ca 0.05 -1.72 -0.29 0.00 -0.53 0.00 0.00 54.58 52.09 2gjx n ASN 199 Cb 0.48 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 38.02 2gjx n ASN 199 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2gjx s VAL 200 N -0.72 1.20 -0.65 3.53 1.01 -0.74 -0.14 120.40 123.89 2gjx s VAL 200 Ca 0.00 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 2gjx s VAL 200 Cb 0.00 -1.38 0.12 0.00 0.00 0.00 0.00 36.38 35.12 2gjx s VAL 200 CO 0.00 0.10 0.74 0.12 0.00 0.00 0.00 175.10 176.06 2gjx s PHE 201 N 1.59 3.12 -1.09 5.22 5.36 0.36 -0.96 117.98 131.58 2gjx s PHE 201 Ca -0.00 -1.15 -0.23 0.00 -0.96 0.00 0.00 56.93 54.58 2gjx s PHE 201 Cb -0.16 -4.01 -0.08 0.00 -0.34 0.00 0.00 43.02 38.44 2gjx s PHE 201 CO -0.08 -1.26 1.94 -1.58 -1.46 0.00 0.00 175.22 172.78 2gjx s HIS 202 N 2.31 1.89 -0.02 10.12 5.65 -0.14 -1.89 115.29 133.22 2gjx s HIS 202 Ca 0.14 0.55 -0.30 0.00 0.25 0.00 0.00 55.06 55.70 2gjx s HIS 202 Cb -0.21 -4.00 -0.06 0.00 -1.18 0.00 0.00 32.58 27.13 2gjx s HIS 202 CO 0.03 -1.37 1.67 -0.46 -0.65 0.00 0.00 174.74 173.96 2gjx s TRP 203 N 10.82 2.02 -0.65 3.88 -0.00 0.84 -2.70 118.94 133.16 2gjx s TRP 203 Ca 0.69 0.18 0.06 0.00 -0.00 0.00 0.00 56.10 57.03 2gjx s TRP 203 Cb -0.03 -3.95 0.25 0.00 -0.00 0.00 0.00 33.47 29.75 2gjx s TRP 203 CO 0.09 -3.96 0.76 1.58 -0.00 0.00 0.00 176.95 175.41 2gjx n HIS 204 N 6.84 3.65 -0.00 5.86 -0.00 -1.10 -0.73 115.22 129.73 2gjx n HIS 204 Ca 0.17 -4.14 -0.10 0.00 0.46 0.00 0.00 57.72 54.11 2gjx n HIS 204 Cb 0.42 -0.57 -0.03 0.00 -0.12 0.00 0.00 29.99 29.69 2gjx n HIS 204 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2gjx h LEU 205 N 4.20 -0.85 -9.37 0.27 4.07 -1.83 -3.04 115.31 108.76 2gjx h LEU 205 Ca 0.20 0.13 -0.59 0.00 0.08 0.00 0.00 57.88 57.70 2gjx h LEU 205 Cb 0.66 0.37 -0.14 0.00 1.08 0.00 0.00 40.66 42.64 2gjx h LEU 205 CO 0.84 -0.32 -0.68 0.68 -1.08 0.00 0.00 178.44 177.88 2gjx s VAL 206 N -6.05 2.13 0.01 1.22 -7.23 -1.26 -3.80 120.40 105.42 2gjx s VAL 206 Ca -0.15 -2.20 -0.15 0.00 -1.81 0.00 0.00 61.98 57.67 2gjx s VAL 206 Cb 0.11 -2.60 0.05 0.00 0.56 0.00 0.00 36.38 34.50 2gjx s VAL 206 CO 0.67 -0.22 0.70 -0.67 -0.31 0.00 0.00 175.10 175.26 2gjx n ASP 207 N -0.75 -0.73 -0.26 4.85 4.64 -1.13 -4.60 116.55 118.58 2gjx n ASP 207 Ca -0.05 -1.20 -0.07 0.00 -1.38 0.00 0.00 54.79 52.09 2gjx n ASP 207 Cb 0.63 1.14 -0.06 0.00 -1.04 0.00 0.00 41.12 41.79 2gjx n ASP 207 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2gjx n ASP 208 N -0.73 -0.65 -0.02 1.67 8.00 -1.11 -2.92 116.55 120.79 2gjx n ASP 208 Ca 0.02 1.32 -0.11 0.00 0.71 0.00 0.00 54.79 56.73 2gjx n ASP 208 Cb 0.33 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.12 2gjx n ASP 208 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2gjx h PRO 209 N 0.00 0.19 -4.16 -0.24 0.13 -1.92 -1.05 132.00 124.95 2gjx h PRO 209 Ca 0.10 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 2gjx h PRO 209 Cb 0.25 -0.04 -0.15 0.00 0.13 0.00 0.00 31.00 31.20 2gjx h PRO 209 CO -0.57 0.21 -0.61 -1.54 -0.23 0.00 0.00 178.00 175.26 2gjx s SER 210 N -5.42 0.40 -0.51 1.44 1.04 -1.15 -4.72 113.70 104.78 2gjx s SER 210 Ca -0.13 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 55.39 2gjx s SER 210 Cb 0.07 0.24 0.16 0.00 0.10 0.00 0.00 66.02 66.59 2gjx s SER 210 CO 0.69 -0.64 0.35 0.12 0.98 0.00 0.00 173.24 174.74 2gjx s PHE 211 N -3.92 2.13 -0.45 5.02 5.36 0.10 -2.82 117.98 123.40 2gjx s PHE 211 Ca 0.08 -2.64 0.25 0.00 -0.96 0.00 0.00 56.93 53.65 2gjx s PHE 211 Cb 0.07 -1.79 0.58 0.00 -0.34 0.00 0.00 43.02 41.54 2gjx s PHE 211 CO -0.09 -0.73 1.69 -1.00 -1.46 0.00 0.00 175.22 173.63 2gjx h PRO 212 N 5.99 0.00 -6.63 10.12 0.13 -1.84 -3.19 132.00 136.58 2gjx h PRO 212 Ca 0.13 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.73 2gjx h PRO 212 Cb 0.87 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.02 2gjx h PRO 212 CO 0.51 0.00 0.63 -0.47 -0.23 0.00 0.00 178.00 178.44 2gjx s TYR 213 N -3.24 3.32 -0.22 1.56 5.04 -1.26 -1.22 117.35 121.34 2gjx s TYR 213 Ca 0.07 1.24 -0.16 0.00 -2.44 0.00 0.00 57.07 55.78 2gjx s TYR 213 Cb 0.07 -3.55 -0.04 0.00 0.35 0.00 0.00 41.96 38.80 2gjx s TYR 213 CO 0.63 -1.71 0.40 -2.00 -1.34 0.00 0.00 175.55 171.53 2gjx s GLU 214 N 0.20 4.14 -0.04 4.97 2.12 -0.90 -4.20 118.70 125.00 2gjx s GLU 214 Ca 0.57 0.18 0.02 0.00 0.36 0.00 0.00 54.97 56.10 2gjx s GLU 214 Cb -0.35 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.45 2gjx s GLU 214 CO 0.35 -0.09 -0.06 0.45 -0.54 0.00 0.00 175.26 175.37 2gjx s SER 215 N 1.16 4.67 0.09 -1.70 0.15 -1.26 -4.73 113.70 112.08 2gjx s SER 215 Ca 0.18 -0.06 0.23 0.00 0.70 0.00 0.00 55.95 57.00 2gjx s SER 215 Cb -0.15 -1.15 -0.07 0.00 -1.71 0.00 0.00 66.02 62.94 2gjx s SER 215 CO 0.08 0.33 0.89 2.22 1.20 0.00 0.00 173.24 177.96 2gjx n PHE 216 N 1.93 0.46 0.07 3.44 1.16 -1.26 -2.93 117.46 120.33 2gjx n PHE 216 Ca -0.17 0.13 -0.11 0.00 -1.87 0.00 0.00 57.45 55.44 2gjx n PHE 216 Cb 0.53 -0.65 -0.13 0.00 -1.61 0.00 0.00 39.48 37.62 2gjx n PHE 216 CO 0.00 0.00 0.00 1.79 -1.87 0.00 0.00 176.76 176.68 2gjx h THR 217 N 0.00 1.57 -2.54 1.97 1.35 -1.95 -3.40 112.91 109.90 2gjx h THR 217 Ca 0.00 -3.23 -0.58 0.00 -0.55 0.00 0.00 66.41 62.04 2gjx h THR 217 Cb 0.90 2.86 -0.39 0.00 -1.73 0.00 0.00 68.15 69.79 2gjx h THR 217 CO 0.00 0.92 -0.88 -0.36 -0.25 0.00 0.00 175.52 174.95 2gjx s PHE 218 N -2.68 0.88 -0.48 4.73 0.08 -1.26 -5.00 117.98 114.26 2gjx s PHE 218 Ca -0.02 -1.86 0.24 0.00 0.12 0.00 0.00 56.93 55.42 2gjx s PHE 218 Cb 0.09 -0.96 0.98 0.00 -0.57 0.00 0.00 43.02 42.56 2gjx s PHE 218 CO 0.84 -0.83 1.72 -2.30 -0.10 0.00 0.00 175.22 174.56 2gjx n PRO 219 N 3.68 0.20 0.02 0.24 -0.02 -1.15 -2.93 135.00 135.05 2gjx n PRO 219 Ca 0.17 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 2gjx n PRO 219 Cb 0.40 -1.88 0.46 0.00 -0.02 0.00 0.00 33.50 32.46 2gjx n PRO 219 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gjx n GLU 220 N -2.25 0.06 -0.07 -0.52 -0.58 -1.26 -2.74 120.64 113.27 2gjx n GLU 220 Ca 0.02 0.04 -0.11 0.00 -0.42 0.00 0.00 57.16 56.69 2gjx n GLU 220 Cb 0.24 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.50 2gjx n GLU 220 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2gjx h LEU 221 N 0.00 0.39 -0.04 -4.62 3.38 -1.80 -1.87 115.31 110.75 2gjx h LEU 221 Ca 0.00 -0.32 -0.26 0.00 0.09 0.00 0.00 57.88 57.39 2gjx h LEU 221 Cb 0.56 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.22 2gjx h LEU 221 CO 0.00 0.61 -1.05 -0.03 0.09 0.00 0.00 178.44 178.07 2gjx h MET 222 N 0.16 0.59 -0.81 1.13 4.05 -1.73 -0.99 114.93 117.33 2gjx h MET 222 Ca 0.06 -0.66 0.02 0.00 -0.28 0.00 0.00 59.70 58.84 2gjx h MET 222 Cb 0.42 0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 31.37 2gjx h MET 222 CO 0.01 1.26 0.54 0.00 0.23 0.00 0.00 176.91 178.95 2gjx h ARG 223 N 0.32 1.03 0.00 0.39 2.47 -1.50 -2.96 114.38 114.13 2gjx h ARG 223 Ca -0.12 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 2gjx h ARG 223 Cb 1.70 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.79 2gjx h ARG 223 CO 0.20 0.68 -1.22 1.63 0.56 0.00 0.00 179.97 181.82 2gjx n LYS 224 N -4.43 1.30 0.01 0.04 4.01 -0.71 -4.68 118.16 113.70 2gjx n LYS 224 Ca 0.10 -0.07 0.11 0.00 -0.51 0.00 0.00 58.31 57.93 2gjx n LYS 224 Cb 0.06 -1.21 -0.09 0.00 -0.51 0.00 0.00 35.03 33.28 2gjx n LYS 224 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2gjx n GLY 225 N 1.62 -1.08 3.89 0.72 0.00 -0.38 -4.86 105.19 105.10 2gjx n GLY 225 Ca -0.01 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 2gjx n GLY 225 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gjx s SER 226 N -3.85 6.47 0.17 1.61 1.04 -1.12 0.02 113.70 118.04 2gjx s SER 226 Ca 0.01 1.01 -0.14 0.00 0.48 0.00 0.00 55.95 57.31 2gjx s SER 226 Cb 0.15 -2.27 0.12 0.00 0.10 0.00 0.00 66.02 64.11 2gjx s SER 226 CO 0.86 -0.38 1.77 1.88 0.98 0.00 0.00 173.24 178.35 2gjx h TYR 227 N 1.20 0.38 -2.58 5.02 0.05 -1.88 -3.41 116.97 115.75 2gjx h TYR 227 Ca -0.47 0.02 -0.20 0.00 0.05 0.00 0.00 58.73 58.13 2gjx h TYR 227 Cb 1.19 -0.10 -0.32 0.00 1.01 0.00 0.00 36.73 38.51 2gjx h TYR 227 CO 0.60 0.17 -0.51 1.21 -1.05 0.00 0.00 178.16 178.58 2gjx s ASN 228 N -5.44 0.40 0.00 3.88 3.04 -1.26 -5.05 114.94 110.51 2gjx s ASN 228 Ca -0.13 0.46 0.00 0.00 0.04 0.00 0.00 52.86 53.23 2gjx s ASN 228 Cb 0.13 0.83 0.00 0.00 -1.54 0.00 0.00 41.25 40.67 2gjx s ASN 228 CO 0.73 -0.26 0.34 -0.81 -3.04 0.00 0.00 177.10 174.05 2gjx n PRO 229 N 5.36 0.59 0.00 0.43 -0.04 -1.26 -2.81 135.00 137.27 2gjx n PRO 229 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2gjx n PRO 229 Cb 0.50 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 2gjx n PRO 229 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2gjx n VAL 230 N 0.28 0.00 -0.08 0.52 3.14 -1.26 -4.98 118.33 115.95 2gjx n VAL 230 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 2gjx n VAL 230 Cb 0.17 -0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.92 2gjx n VAL 230 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2gjx n THR 231 N -1.41 1.45 -1.77 1.55 -2.24 -1.22 -4.60 114.28 106.04 2gjx n THR 231 Ca 0.00 0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.54 2gjx n THR 231 Cb 0.00 -2.35 -0.01 0.00 -2.10 0.00 0.00 70.33 65.88 2gjx n THR 231 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2gjx n HIS 232 N -4.56 3.00 -4.20 4.78 8.25 -1.12 -4.91 115.22 116.47 2gjx n HIS 232 Ca -0.12 -2.95 -0.16 0.00 -0.26 0.00 0.00 57.72 54.23 2gjx n HIS 232 Cb 0.37 -2.34 -0.13 0.00 1.12 0.00 0.00 29.99 29.01 2gjx n HIS 232 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2gjx s ILE 233 N 1.85 0.63 -0.44 1.59 -1.09 -1.26 -4.60 121.20 117.88 2gjx s ILE 233 Ca 0.52 -0.67 -0.07 0.00 -2.23 0.00 0.00 60.65 58.21 2gjx s ILE 233 Cb 0.15 -0.60 0.11 0.00 -1.58 0.00 0.00 42.46 40.54 2gjx s ILE 233 CO -0.06 -0.05 0.28 -0.31 -1.23 0.00 0.00 174.94 173.57 2gjx s TYR 234 N -0.67 3.46 0.90 3.97 1.51 -0.35 -5.02 117.35 121.14 2gjx s TYR 234 Ca -0.02 -1.99 -0.14 0.00 -1.01 0.00 0.00 57.07 53.91 2gjx s TYR 234 Cb -0.06 -3.30 0.14 0.00 -0.11 0.00 0.00 41.96 38.63 2gjx s TYR 234 CO 0.00 -0.96 1.22 0.95 -1.11 0.00 0.00 175.55 175.65 2gjx s THR 235 N 1.30 1.98 0.18 -0.71 -4.23 -1.26 -2.11 115.64 110.78 2gjx s THR 235 Ca 0.06 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.44 2gjx s THR 235 Cb -0.25 -2.93 0.08 0.00 1.34 0.00 0.00 72.50 70.75 2gjx s THR 235 CO -0.01 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.87 2gjx h ALA 236 N -1.41 0.70 -0.22 3.99 0.00 -1.99 -1.38 119.26 118.95 2gjx h ALA 236 Ca -0.46 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.51 2gjx h ALA 236 Cb 1.30 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2gjx h ALA 236 CO 0.54 -0.00 -0.20 0.37 0.00 0.00 0.00 179.25 179.97 2gjx h GLN 237 N 0.60 -0.20 -0.37 0.00 5.75 -1.99 -0.36 115.11 118.55 2gjx h GLN 237 Ca 0.23 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.80 2gjx h GLN 237 Cb 0.07 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.61 2gjx h GLN 237 CO -0.12 -0.13 0.07 -0.44 -2.65 0.00 0.00 178.83 175.56 2gjx h ASP 238 N -0.20 -0.00 -0.66 -0.69 3.32 -1.78 -0.49 116.42 115.92 2gjx h ASP 238 Ca 0.13 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2gjx h ASP 238 Cb 0.40 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 2gjx h ASP 238 CO -0.34 0.04 0.39 0.58 -1.72 0.00 0.00 179.24 178.19 2gjx h VAL 239 N 0.19 1.19 -0.18 -1.35 2.07 -0.83 -1.23 116.25 116.11 2gjx h VAL 239 Ca 0.18 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2gjx h VAL 239 Cb 0.21 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2gjx h VAL 239 CO -0.24 0.20 0.12 0.11 0.02 0.00 0.00 177.57 177.78 2gjx h LYS 240 N 0.89 0.24 -0.80 1.57 1.79 -0.46 -2.15 116.57 117.65 2gjx h LYS 240 Ca 0.24 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.65 2gjx h LYS 240 Cb -0.02 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 2gjx h LYS 240 CO -0.04 0.16 0.34 1.49 -1.08 0.00 0.00 179.45 180.31 2gjx h GLU 241 N 0.25 1.19 -0.52 3.15 4.81 -0.83 -1.32 114.58 121.31 2gjx h GLU 241 Ca 0.07 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2gjx h GLU 241 Cb -0.03 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 2gjx h GLU 241 CO -0.02 0.95 0.33 0.28 -0.73 0.00 0.00 179.01 179.82 2gjx h VAL 242 N 1.16 1.15 -0.24 0.32 2.07 -1.05 0.30 116.25 119.97 2gjx h VAL 242 Ca 0.27 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 2gjx h VAL 242 Cb 0.19 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2gjx h VAL 242 CO -0.03 0.15 -0.33 0.40 0.02 0.00 0.00 177.57 177.78 2gjx h ILE 243 N 0.70 1.29 0.21 4.57 2.04 -1.05 -1.65 117.51 123.62 2gjx h ILE 243 Ca 0.19 -1.43 -0.32 0.00 1.00 0.00 0.00 64.86 64.30 2gjx h ILE 243 Cb -0.04 1.47 0.04 0.00 -0.74 0.00 0.00 36.82 37.54 2gjx h ILE 243 CO -0.04 0.45 -1.38 -0.08 0.00 0.00 0.00 178.15 177.10 2gjx h GLU 244 N 0.42 0.57 -0.86 2.37 4.57 -1.03 -1.92 114.58 118.70 2gjx h GLU 244 Ca 0.05 -0.89 -0.00 0.00 -1.18 0.00 0.00 59.36 57.34 2gjx h GLU 244 Cb 0.79 0.32 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 2gjx h GLU 244 CO 0.06 1.42 0.53 -0.92 -1.18 0.00 0.00 179.01 178.92 2gjx h TYR 245 N 0.17 1.13 -0.31 0.92 3.20 -0.36 -1.34 116.97 120.38 2gjx h TYR 245 Ca -0.23 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.47 2gjx h TYR 245 Cb 2.07 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.96 2gjx h TYR 245 CO 0.13 0.75 -0.45 0.00 -1.64 0.00 0.00 178.16 176.94 2gjx h ALA 246 N 1.29 0.61 -0.60 1.82 0.00 -1.36 -3.16 119.26 117.85 2gjx h ALA 246 Ca 0.31 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2gjx h ALA 246 Cb -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2gjx h ALA 246 CO -0.06 0.68 0.35 -0.09 0.00 0.00 0.00 179.25 180.13 2gjx h ARG 247 N 0.65 0.67 0.00 0.00 2.43 -0.72 0.26 114.38 117.66 2gjx h ARG 247 Ca 0.04 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2gjx h ARG 247 Cb 1.03 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2gjx h ARG 247 CO 0.10 0.44 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.93 2gjx h LEU 248 N 0.69 0.00 -3.08 3.80 3.38 -1.23 -1.18 115.31 117.69 2gjx h LEU 248 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2gjx h LEU 248 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2gjx h LEU 248 CO -0.12 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.95 2gjx n ARG 249 N -3.13 3.06 -2.90 1.13 1.74 -0.60 -4.89 116.66 111.08 2gjx n ARG 249 Ca -0.02 -2.51 -0.12 0.00 -0.77 0.00 0.00 57.85 54.42 2gjx n ARG 249 Cb 0.12 -1.61 0.03 0.00 -1.02 0.00 0.00 32.46 29.99 2gjx n ARG 249 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gjx n GLY 250 N 0.23 0.10 3.21 -0.13 0.00 -0.44 -4.86 105.19 103.30 2gjx n GLY 250 Ca 0.18 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2gjx n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gjx s ILE 251 N -3.04 2.13 0.23 -0.61 1.01 0.82 -4.64 121.20 117.10 2gjx s ILE 251 Ca 0.25 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.74 2gjx s ILE 251 Cb -0.11 -1.83 -0.08 0.00 0.01 0.00 0.00 42.46 40.45 2gjx s ILE 251 CO 0.31 0.55 0.70 -0.13 0.00 0.00 0.00 174.94 176.37 2gjx s ARG 252 N 0.55 4.15 -0.44 2.79 0.52 0.80 -3.34 118.95 123.98 2gjx s ARG 252 Ca -0.13 0.76 -0.14 0.00 -0.52 0.00 0.00 55.73 55.70 2gjx s ARG 252 Cb -0.17 -2.78 0.06 0.00 0.52 0.00 0.00 34.95 32.58 2gjx s ARG 252 CO 0.04 0.35 0.34 0.08 0.02 0.00 0.00 175.30 176.13 2gjx s VAL 253 N -1.62 4.96 -0.46 3.52 1.01 -1.26 -0.48 120.40 126.06 2gjx s VAL 253 Ca 0.45 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 2gjx s VAL 253 Cb -0.15 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.39 2gjx s VAL 253 CO 0.20 -0.50 0.34 -0.22 0.00 0.00 0.00 175.10 174.92 2gjx s LEU 254 N 1.59 5.51 0.40 3.92 0.20 -0.79 -4.59 118.68 124.91 2gjx s LEU 254 Ca 0.04 -1.58 -0.19 0.00 0.69 0.00 0.00 54.13 53.09 2gjx s LEU 254 Cb -0.23 -2.07 -0.10 0.00 -0.43 0.00 0.00 46.19 43.36 2gjx s LEU 254 CO 0.06 -0.63 0.88 0.00 -0.29 0.00 0.00 176.35 176.37 2gjx s ALA 255 N 1.49 3.13 -0.14 5.97 0.00 -1.26 -0.11 121.76 130.83 2gjx s ALA 255 Ca 0.04 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 2gjx s ALA 255 Cb -0.25 -3.03 0.05 0.00 0.00 0.00 0.00 23.12 19.89 2gjx s ALA 255 CO 0.03 0.19 0.03 -2.00 0.00 0.00 0.00 175.76 174.00 2gjx s GLU 256 N -3.13 0.56 -0.66 0.00 2.12 0.10 -1.32 118.70 116.36 2gjx s GLU 256 Ca 0.59 -0.16 -0.01 0.00 0.36 0.00 0.00 54.97 55.76 2gjx s GLU 256 Cb -0.09 -1.60 0.17 0.00 0.26 0.00 0.00 34.13 32.87 2gjx s GLU 256 CO 0.15 -0.50 0.47 -0.06 -0.54 0.00 0.00 175.26 174.78 2gjx s PHE 257 N 1.94 3.46 0.10 5.30 0.08 -1.16 -3.89 117.98 123.80 2gjx s PHE 257 Ca 0.02 -2.91 -0.36 0.00 0.12 0.00 0.00 56.93 53.80 2gjx s PHE 257 Cb -0.15 -3.09 -0.17 0.00 -0.57 0.00 0.00 43.02 39.03 2gjx s PHE 257 CO -0.07 -0.78 1.17 -0.25 -0.10 0.00 0.00 175.22 175.19 2gjx n ASP 258 N 3.07 0.95 -3.63 1.36 10.43 -1.26 -4.70 116.55 122.77 2gjx n ASP 258 Ca 0.11 1.14 -0.15 0.00 2.57 0.00 0.00 54.79 58.45 2gjx n ASP 258 Cb 0.36 -1.11 -0.07 0.00 1.84 0.00 0.00 41.12 42.14 2gjx n ASP 258 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2gjx s THR 259 N 0.07 0.01 -1.08 -3.53 -4.23 -1.16 -4.70 115.64 101.02 2gjx s THR 259 Ca 0.82 -0.05 0.26 0.00 -1.18 0.00 0.00 61.69 61.54 2gjx s THR 259 Cb -1.00 -0.89 0.07 0.00 1.34 0.00 0.00 72.50 72.02 2gjx s THR 259 CO 0.52 -0.03 1.50 -0.81 -0.54 0.00 0.00 174.62 175.26 2gjx n PRO 260 N 2.03 0.08 -2.13 3.99 -0.04 -1.26 -2.37 135.00 135.30 2gjx n PRO 260 Ca -0.16 -0.04 -0.27 0.00 -0.04 0.00 0.00 63.50 62.98 2gjx n PRO 260 Cb 0.56 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.58 2gjx n PRO 260 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2gjx s GLY 261 N -2.95 1.63 -1.25 0.55 0.00 -1.26 -1.52 107.32 102.53 2gjx s GLY 261 Ca 0.13 -0.69 -0.08 0.00 0.00 0.00 0.00 44.72 44.08 2gjx s GLY 261 CO 0.66 -0.31 1.06 1.42 0.00 0.00 0.00 173.10 175.93 2gjx n HIS 262 N -2.93 -2.60 -2.05 1.90 8.25 -1.26 -4.77 115.22 111.76 2gjx n HIS 262 Ca 0.07 0.91 -0.09 0.00 -0.26 0.00 0.00 57.72 58.35 2gjx n HIS 262 Cb 0.59 -4.67 0.08 0.00 1.12 0.00 0.00 29.99 27.12 2gjx n HIS 262 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2gjx n THR 263 N -4.78 2.02 -0.09 1.59 -2.24 -1.26 -2.75 114.28 106.76 2gjx n THR 263 Ca 0.00 -3.44 -0.10 0.00 -2.27 0.00 0.00 64.05 58.25 2gjx n THR 263 Cb 0.56 -0.32 0.04 0.00 -2.10 0.00 0.00 70.33 68.51 2gjx n THR 263 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2gjx h LEU 264 N 1.76 0.86 -1.17 3.22 3.38 -1.82 -2.91 115.31 118.63 2gjx h LEU 264 Ca 0.13 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 2gjx h LEU 264 Cb 1.37 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2gjx h LEU 264 CO 0.38 1.10 -0.39 0.77 0.09 0.00 0.00 178.44 180.40 2gjx h SER 265 N 0.69 0.00 -0.27 -0.43 4.64 -1.33 -2.41 113.55 114.44 2gjx h SER 265 Ca 0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 2gjx h SER 265 Cb 0.86 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 2gjx h SER 265 CO 0.08 0.39 -0.03 -0.50 -0.87 0.00 0.00 176.83 175.89 2gjx h TRP 266 N 0.00 0.65 0.00 4.77 4.06 -1.82 -3.36 115.95 120.25 2gjx h TRP 266 Ca -0.00 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.86 2gjx h TRP 266 Cb 0.75 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.73 2gjx h TRP 266 CO 0.00 0.65 0.00 0.41 -3.56 0.00 0.00 178.44 175.94 2gjx n GLY 267 N -0.73 -3.01 3.70 1.49 0.00 -0.91 -4.12 105.19 101.63 2gjx n GLY 267 Ca 0.02 0.62 -0.34 0.00 0.00 0.00 0.00 46.02 46.32 2gjx n GLY 267 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gjx s PRO 268 N -1.75 1.74 0.00 1.61 0.02 -1.26 -3.41 135.00 131.95 2gjx s PRO 268 Ca 0.00 1.76 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2gjx s PRO 268 Cb 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.73 2gjx s PRO 268 CO 0.00 -2.14 0.00 0.41 -0.33 0.00 0.00 177.00 174.94 2gjx n GLY 269 N 0.46 2.35 3.08 0.52 0.00 -1.26 -4.64 105.19 105.70 2gjx n GLY 269 Ca 0.13 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2gjx n GLY 269 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gjx s ILE 270 N 0.00 3.23 0.60 -0.61 -1.16 -1.22 -4.78 121.20 117.26 2gjx s ILE 270 Ca 0.00 -2.53 -0.17 0.00 -0.51 0.00 0.00 60.65 57.44 2gjx s ILE 270 Cb 0.00 -3.19 -0.03 0.00 0.61 0.00 0.00 42.46 39.85 2gjx s ILE 270 CO 0.00 -0.75 1.10 -2.16 -2.81 0.00 0.00 174.94 170.32 2gjx s PRO 271 N 0.55 3.12 0.00 3.50 0.04 -1.26 -3.56 135.00 137.40 2gjx s PRO 271 Ca 0.12 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2gjx s PRO 271 Cb -0.22 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2gjx s PRO 271 CO -0.04 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.41 2gjx n GLY 272 N -0.34 2.81 0.09 0.56 0.00 -1.26 -4.88 105.19 102.17 2gjx n GLY 272 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2gjx n GLY 272 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2gjx h LEU 273 N 0.00 0.17-10.15 0.99 5.85 -1.87 -3.45 115.31 106.85 2gjx h LEU 273 Ca 0.00 -0.34 -0.48 0.00 0.84 0.00 0.00 57.88 57.90 2gjx h LEU 273 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2gjx h LEU 273 CO 0.00 0.47 0.28 -0.76 -0.34 0.00 0.00 178.44 178.09 2gjx s LEU 274 N -9.47 3.75 -0.33 2.25 1.43 -1.26 -0.17 118.68 114.88 2gjx s LEU 274 Ca -0.15 1.45 -0.22 0.00 -1.03 0.00 0.00 54.13 54.18 2gjx s LEU 274 Cb 0.05 -4.35 0.00 0.00 0.03 0.00 0.00 46.19 41.92 2gjx s LEU 274 CO 0.70 -0.48 0.74 -0.89 0.23 0.00 0.00 176.35 176.65 2gjx s THR 275 N -2.45 4.81 -0.01 5.49 2.01 -0.53 -4.63 115.64 120.33 2gjx s THR 275 Ca 0.57 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 63.22 2gjx s THR 275 Cb -0.10 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 2gjx s THR 275 CO 0.28 -0.29 1.35 -2.16 -0.69 0.00 0.00 174.62 173.11 2gjx s PRO 276 N 2.90 4.30 0.73 4.92 0.04 -1.26 -0.85 135.00 145.78 2gjx s PRO 276 Ca 0.30 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 2gjx s PRO 276 Cb -0.14 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 30.87 2gjx s PRO 276 CO 0.14 -0.54 1.09 0.00 0.04 0.00 0.00 177.00 177.73 2gjx s TYR 278 N -3.27 1.29 -0.06 0.00 1.51 -1.26 -2.58 117.35 112.97 2gjx s TYR 278 Ca 0.59 -0.29 -0.26 0.00 -1.01 0.00 0.00 57.07 56.09 2gjx s TYR 278 Cb -0.12 -0.80 -0.21 0.00 -0.11 0.00 0.00 41.96 40.71 2gjx s TYR 278 CO 0.53 0.01 1.05 0.77 -1.11 0.00 0.00 175.55 176.79 2gjx h SER 279 N 5.39 -0.03 0.00 2.29 0.02 -1.90 -3.45 113.55 115.88 2gjx h SER 279 Ca -0.36 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 59.96 2gjx h SER 279 Cb 1.17 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2gjx h SER 279 CO 0.47 0.63 0.00 0.61 -1.14 0.00 0.00 176.83 177.40 2gjx n GLY 280 N 0.72 -0.61 0.94 -3.77 0.00 -1.26 -4.99 105.19 96.22 2gjx n GLY 280 Ca -0.09 0.09 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2gjx n GLY 280 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gjx n SER 281 N -3.06 -0.10 0.00 1.61 7.64 -1.26 -5.00 113.62 113.44 2gjx n SER 281 Ca 0.00 -1.78 0.00 0.00 1.01 0.00 0.00 58.87 58.10 2gjx n SER 281 Cb 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2gjx n SER 281 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2gjx n GLU 282 N 0.13 0.00 -2.76 1.43 0.00 -1.26 -5.10 120.64 113.08 2gjx n GLU 282 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.98 2gjx n GLU 282 Cb 0.77 0.00 0.07 0.00 0.00 0.00 0.00 31.44 32.28 2gjx n GLU 282 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2gjx n PRO 283 N 0.00 1.12 0.00 5.31 -0.04 -1.26 -4.63 135.00 135.49 2gjx n PRO 283 Ca 0.00 -2.39 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 2gjx n PRO 283 Cb 0.00 -0.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2gjx n PRO 283 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2gjx n SER 284 N -0.15 0.00 0.00 3.54 3.41 -1.07 -4.71 113.62 114.64 2gjx n SER 284 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2gjx n SER 284 Cb 0.79 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 2gjx n SER 284 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gjx n GLY 285 N 0.00 0.13 3.77 5.00 0.00 -1.26 -5.03 105.19 107.81 2gjx n GLY 285 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2gjx n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gjx s THR 286 N 0.00 3.63 -0.07 2.61 -4.23 -1.26 -4.88 115.64 111.44 2gjx s THR 286 Ca 0.00 1.38 -0.02 0.00 -1.18 0.00 0.00 61.69 61.87 2gjx s THR 286 Cb 0.00 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 2gjx s THR 286 CO 0.00 0.13 0.02 -0.36 -0.54 0.00 0.00 174.62 173.88 2gjx s PHE 287 N -1.48 3.20 0.00 3.99 0.08 -1.26 -1.76 117.98 120.75 2gjx s PHE 287 Ca 0.53 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.79 2gjx s PHE 287 Cb -0.26 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 2gjx s PHE 287 CO 0.32 0.50 0.00 0.41 -0.10 0.00 0.00 175.22 176.35 2gjx n GLY 288 N 1.96 1.59 0.00 4.36 0.00 -0.03 -4.95 105.19 108.12 2gjx n GLY 288 Ca -0.18 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2gjx n GLY 288 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gjx n PRO 289 N 0.00 0.26 -2.51 1.61 -0.04 -1.26 -4.38 135.00 128.67 2gjx n PRO 289 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2gjx n PRO 289 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 2gjx n PRO 289 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gjx s VAL 290 N -0.50 4.01 -0.25 0.52 1.01 -0.57 -1.45 120.40 123.16 2gjx s VAL 290 Ca 0.00 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 2gjx s VAL 290 Cb 0.00 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2gjx s VAL 290 CO 0.00 0.22 1.84 0.21 0.00 0.00 0.00 175.10 177.38 2gjx s ASN 291 N 0.30 5.97 -0.04 3.32 3.84 0.77 -4.79 114.94 124.31 2gjx s ASN 291 Ca 0.52 1.59 0.14 0.00 0.21 0.00 0.00 52.86 55.32 2gjx s ASN 291 Cb -0.29 -2.52 0.47 0.00 -0.55 0.00 0.00 41.25 38.36 2gjx s ASN 291 CO 0.33 -1.60 1.37 -0.81 -2.79 0.00 0.00 177.10 173.60 2gjx n PRO 292 N 8.24 2.54 -0.00 0.43 -0.04 -1.26 -4.04 135.00 140.87 2gjx n PRO 292 Ca 0.23 -1.90 0.04 0.00 -0.04 0.00 0.00 63.50 61.83 2gjx n PRO 292 Cb 0.46 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 2gjx n PRO 292 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2gjx n SER 293 N 0.84 2.35 -4.86 3.54 3.41 -1.26 -4.88 113.62 112.76 2gjx n SER 293 Ca 0.17 -0.19 -0.31 0.00 -0.26 0.00 0.00 58.87 58.28 2gjx n SER 293 Cb 0.54 1.27 -0.03 0.00 -0.26 0.00 0.00 64.21 65.74 2gjx n SER 293 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2gjx s LEU 294 N -3.24 3.66 0.04 1.04 1.43 -1.26 -5.01 118.68 115.34 2gjx s LEU 294 Ca -0.01 1.35 -0.14 0.00 -1.03 0.00 0.00 54.13 54.30 2gjx s LEU 294 Cb 0.05 -4.28 -0.34 0.00 0.03 0.00 0.00 46.19 41.65 2gjx s LEU 294 CO 0.34 -0.55 1.03 0.78 0.23 0.00 0.00 176.35 178.18 2gjx h ASN 295 N 0.86 0.78 0.16 2.29 -0.26 -1.96 -3.27 115.58 114.18 2gjx h ASN 295 Ca -0.47 -0.82 -0.00 0.00 -0.56 0.00 0.00 56.30 54.45 2gjx h ASN 295 Cb 1.19 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 38.19 2gjx h ASN 295 CO 0.62 1.64 -0.01 -1.13 -1.06 0.00 0.00 177.43 177.49 2gjx h ASN 296 N 0.14 0.00 -0.87 5.81 -0.00 -1.97 -1.28 115.58 117.42 2gjx h ASN 296 Ca -0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.04 2gjx h ASN 296 Cb 2.13 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 40.41 2gjx h ASN 296 CO 0.26 0.01 0.44 0.74 -0.00 0.00 0.00 177.43 178.88 2gjx h THR 297 N 0.00 1.26 0.00 -3.57 2.02 -1.86 -1.62 112.91 109.14 2gjx h THR 297 Ca -0.00 -0.70 -0.12 0.00 0.77 0.00 0.00 66.41 66.36 2gjx h THR 297 Cb 0.10 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 2gjx h THR 297 CO 0.00 0.31 -1.04 1.88 0.37 0.00 0.00 175.52 177.04 2gjx h TYR 298 N 1.23 0.00 -0.05 3.16 0.05 -1.40 -2.14 116.97 117.82 2gjx h TYR 298 Ca 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.07 2gjx h TYR 298 Cb 0.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 2gjx h TYR 298 CO 0.01 0.46 -0.00 0.93 -1.05 0.00 0.00 178.16 178.51 2gjx h GLU 299 N 0.00 0.09 -0.59 4.88 3.07 -1.36 -0.77 114.58 119.90 2gjx h GLU 299 Ca -0.09 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.76 2gjx h GLU 299 Cb 1.43 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.30 2gjx h GLU 299 CO 0.04 0.40 0.38 0.35 -1.40 0.00 0.00 179.01 178.78 2gjx h PHE 300 N -0.22 0.72 0.00 4.33 3.57 -1.38 0.11 116.94 124.07 2gjx h PHE 300 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2gjx h PHE 300 Cb 0.36 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.86 2gjx h PHE 300 CO 0.04 0.43 0.00 -0.12 -2.23 0.00 0.00 178.31 176.43 2gjx n MET 301 N -4.70 0.21 -0.06 1.11 1.56 -0.80 -0.97 117.12 113.47 2gjx n MET 301 Ca 0.05 0.39 -0.21 0.00 -0.27 0.00 0.00 57.70 57.66 2gjx n MET 301 Cb 0.05 -1.86 -0.13 0.00 2.15 0.00 0.00 33.22 33.43 2gjx n MET 301 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2gjx n SER 302 N -2.24 2.05 0.06 6.12 2.88 -0.30 -3.45 113.62 118.74 2gjx n SER 302 Ca 0.03 0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 57.57 2gjx n SER 302 Cb 0.26 -0.70 0.04 0.00 -0.75 0.00 0.00 64.21 63.06 2gjx n SER 302 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2gjx h THR 303 N -0.06 1.39 0.01 2.46 2.02 -0.71 -2.98 112.91 115.05 2gjx h THR 303 Ca -0.49 -2.18 -0.05 0.00 0.77 0.00 0.00 66.41 64.47 2gjx h THR 303 Cb 1.92 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 70.48 2gjx h THR 303 CO -0.02 0.65 -0.19 0.15 0.37 0.00 0.00 175.52 176.48 2gjx h PHE 304 N 0.24 0.17 0.00 3.16 3.57 -1.26 -3.23 116.94 119.59 2gjx h PHE 304 Ca -0.03 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2gjx h PHE 304 Cb 1.30 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2gjx h PHE 304 CO 0.04 0.96 0.00 0.74 -2.23 0.00 0.00 178.31 177.81 2gjx h PHE 305 N -0.67 0.00 -0.17 0.41 0.04 -1.67 -1.34 116.94 113.55 2gjx h PHE 305 Ca -0.03 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.55 2gjx h PHE 305 Cb 1.02 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.18 2gjx h PHE 305 CO 0.21 0.00 -0.65 1.25 -0.60 0.00 0.00 178.31 178.52 2gjx h LEU 306 N 0.00 0.86 -0.17 1.54 6.46 -1.62 -1.85 115.31 120.53 2gjx h LEU 306 Ca 0.00 -0.61 -0.01 0.00 -0.12 0.00 0.00 57.88 57.14 2gjx h LEU 306 Cb 0.42 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 2gjx h LEU 306 CO 0.00 1.33 0.08 -0.08 -0.62 0.00 0.00 178.44 179.15 2gjx h GLU 307 N 0.45 0.25 -0.83 1.25 4.81 -1.37 -0.98 114.58 118.16 2gjx h GLU 307 Ca -0.03 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2gjx h GLU 307 Cb 1.28 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 2gjx h GLU 307 CO 0.14 0.29 0.51 0.28 -0.73 0.00 0.00 179.01 179.49 2gjx h VAL 308 N 0.15 1.04 0.00 0.32 2.07 -1.28 0.86 116.25 119.41 2gjx h VAL 308 Ca 0.06 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2gjx h VAL 308 Cb 0.12 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2gjx h VAL 308 CO -0.01 0.17 0.00 0.77 0.02 0.00 0.00 177.57 178.52 2gjx h SER 309 N 0.93 0.00 0.71 0.57 4.64 -1.10 -0.65 113.55 118.65 2gjx h SER 309 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2gjx h SER 309 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2gjx h SER 309 CO -0.17 0.00 -1.22 -1.20 -0.87 0.00 0.00 176.83 173.37 2gjx n SER 310 N -2.47 0.63 -0.09 4.97 7.64 -0.16 -4.37 113.62 119.78 2gjx n SER 310 Ca 0.03 0.20 -0.23 0.00 1.01 0.00 0.00 58.87 59.88 2gjx n SER 310 Cb 0.33 0.82 -0.12 0.00 -1.01 0.00 0.00 64.21 64.24 2gjx n SER 310 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gjx n VAL 311 N -2.50 1.59 -3.08 0.44 0.31 0.11 -4.82 118.33 110.38 2gjx n VAL 311 Ca -0.01 -0.30 -0.43 0.00 -0.01 0.00 0.00 64.34 63.60 2gjx n VAL 311 Cb 0.54 -1.88 -0.06 0.00 -0.91 0.00 0.00 33.84 31.52 2gjx n VAL 311 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2gjx s PHE 312 N -2.45 3.07 -0.19 3.52 0.40 -0.27 -4.94 117.98 117.11 2gjx s PHE 312 Ca -0.30 0.11 0.28 0.00 -0.60 0.00 0.00 56.93 56.42 2gjx s PHE 312 Cb 0.08 -3.36 0.91 0.00 0.51 0.00 0.00 43.02 41.16 2gjx s PHE 312 CO 0.61 -0.83 1.81 -1.00 0.70 0.00 0.00 175.22 176.51 2gjx h PRO 313 N 8.79 0.00 -6.92 0.24 0.13 -1.88 -3.43 132.00 128.93 2gjx h PRO 313 Ca -0.25 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.32 2gjx h PRO 313 Cb 1.10 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.35 2gjx h PRO 313 CO 0.89 0.00 0.58 -3.47 -0.23 0.00 0.00 178.00 175.77 2gjx n ASP 314 N -3.00 2.82 0.25 1.44 4.64 -1.26 -4.89 116.55 116.56 2gjx n ASP 314 Ca 0.02 1.09 0.10 0.00 -1.38 0.00 0.00 54.79 54.62 2gjx n ASP 314 Cb 0.40 -1.55 0.67 0.00 -1.04 0.00 0.00 41.12 39.59 2gjx n ASP 314 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 2gjx h PHE 315 N 2.03 0.00 -2.72 -0.67 3.04 -1.92 -3.44 116.94 113.26 2gjx h PHE 315 Ca -0.49 0.00 -0.57 0.00 3.98 0.00 0.00 57.97 60.88 2gjx h PHE 315 Cb 1.29 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.73 2gjx h PHE 315 CO 0.48 0.12 -0.56 0.71 -2.02 0.00 0.00 178.31 177.04 2gjx s TYR 316 N -4.46 3.19 -0.03 0.41 1.51 -1.26 0.29 117.35 116.99 2gjx s TYR 316 Ca -0.04 0.00 -0.03 0.00 -1.01 0.00 0.00 57.07 56.00 2gjx s TYR 316 Cb 0.15 -1.54 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2gjx s TYR 316 CO 0.62 0.52 0.09 -0.51 -1.11 0.00 0.00 175.55 175.17 2gjx s LEU 317 N -3.06 1.63 -0.21 -1.29 1.43 -0.22 -4.72 118.68 112.22 2gjx s LEU 317 Ca 0.31 0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 2gjx s LEU 317 Cb -0.10 0.31 -0.04 0.00 0.03 0.00 0.00 46.19 46.38 2gjx s LEU 317 CO 0.24 -0.04 0.38 -2.28 0.23 0.00 0.00 176.35 174.88 2gjx s HIS 318 N 0.08 3.35 -0.10 0.29 2.46 -0.43 -0.93 115.29 120.02 2gjx s HIS 318 Ca -0.00 0.57 0.22 0.00 0.47 0.00 0.00 55.06 56.31 2gjx s HIS 318 Cb -0.01 -2.52 -0.32 0.00 -0.13 0.00 0.00 32.58 29.60 2gjx s HIS 318 CO -0.00 -0.03 0.53 1.28 -2.47 0.00 0.00 174.74 174.04 2gjx n LEU 319 N 4.57 0.09 0.00 8.88 4.77 -0.65 -3.01 117.00 131.65 2gjx n LEU 319 Ca -0.09 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2gjx n LEU 319 Cb 0.51 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2gjx n LEU 319 CO 0.39 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2gjx n GLY 320 N 1.27 1.13 2.04 -0.72 0.00 -1.26 -3.00 105.19 104.65 2gjx n GLY 320 Ca -0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.08 2gjx n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gjx n GLY 321 N 0.00 0.47 3.82 -0.02 0.00 -1.00 -1.38 105.19 107.08 2gjx n GLY 321 Ca 0.00 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 2gjx n GLY 321 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2gjx s ASP 322 N -2.73 7.02 -0.17 1.61 -4.77 -1.26 -4.34 116.67 112.03 2gjx s ASP 322 Ca 0.00 1.51 -0.15 0.00 -3.30 0.00 0.00 52.55 50.62 2gjx s ASP 322 Cb 0.00 -2.46 0.02 0.00 -1.09 0.00 0.00 42.92 39.39 2gjx s ASP 322 CO 0.00 -0.12 0.25 -1.84 0.70 0.00 0.00 175.17 174.16 2gjx n GLU 323 N 0.15 -0.72 -3.74 2.11 0.28 -1.26 -4.70 120.64 112.76 2gjx n GLU 323 Ca 0.02 0.54 -0.35 0.00 -0.16 0.00 0.00 57.16 57.20 2gjx n GLU 323 Cb 0.52 -0.75 -0.08 0.00 1.43 0.00 0.00 31.44 32.56 2gjx n GLU 323 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2gjx s VAL 324 N -0.55 5.42 -0.17 3.84 1.01 -1.26 -4.76 120.40 123.93 2gjx s VAL 324 Ca 0.14 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 2gjx s VAL 324 Cb -0.01 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2gjx s VAL 324 CO 0.32 0.47 0.70 -0.62 0.00 0.00 0.00 175.10 175.98 2gjx s ASP 325 N 0.13 6.82 0.00 3.32 2.15 -1.26 -4.93 116.67 122.89 2gjx s ASP 325 Ca 0.10 0.99 0.25 0.00 0.43 0.00 0.00 52.55 54.32 2gjx s ASP 325 Cb -0.11 -2.39 0.48 0.00 -0.30 0.00 0.00 42.92 40.60 2gjx s ASP 325 CO -0.01 -0.29 1.39 0.49 -0.17 0.00 0.00 175.17 176.59 2gjx n PHE 326 N 4.90 0.00 -0.20 -5.34 3.72 -1.26 -4.38 117.46 114.90 2gjx n PHE 326 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.33 2gjx n PHE 326 Cb 0.50 -0.15 0.02 0.00 -0.94 0.00 0.00 39.48 38.91 2gjx n PHE 326 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2gjx h THR 327 N 0.71 1.22 -0.16 4.37 2.02 -2.00 -2.41 112.91 116.66 2gjx h THR 327 Ca 0.00 -0.70 -0.15 0.00 0.77 0.00 0.00 66.41 66.33 2gjx h THR 327 Cb 0.53 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2gjx h THR 327 CO 0.00 0.27 -0.55 0.00 0.37 0.00 0.00 175.52 175.61 2gjx h TRP 329 N 0.37 1.03 -0.71 0.00 6.55 -1.79 -2.40 115.95 118.99 2gjx h TRP 329 Ca 0.01 -0.19 -0.05 0.00 0.95 0.00 0.00 58.89 59.61 2gjx h TRP 329 Cb 1.07 -0.26 -0.03 0.00 -0.86 0.00 0.00 29.16 29.08 2gjx h TRP 329 CO 0.04 0.96 0.24 -0.22 -1.05 0.00 0.00 178.44 178.40 2gjx h LYS 330 N 0.80 1.09 -0.02 0.49 3.64 -1.35 -2.74 116.57 118.47 2gjx h LYS 330 Ca 0.14 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 2gjx h LYS 330 Cb 0.57 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2gjx h LYS 330 CO 0.03 0.92 -0.58 0.66 -2.27 0.00 0.00 179.45 178.21 2gjx h SER 331 N 1.05 0.07 -2.87 4.20 4.64 -1.37 -3.43 113.55 115.83 2gjx h SER 331 Ca 0.23 -0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.95 2gjx h SER 331 Cb 0.27 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 2gjx h SER 331 CO -0.01 0.63 0.98 0.21 -0.87 0.00 0.00 176.83 177.76 2gjx s ASN 332 N -6.87 6.79 0.11 4.97 3.84 -0.91 -4.52 114.94 118.35 2gjx s ASN 332 Ca -0.02 1.72 -0.13 0.00 0.21 0.00 0.00 52.86 54.64 2gjx s ASN 332 Cb 0.13 -2.54 -0.09 0.00 -0.55 0.00 0.00 41.25 38.20 2gjx s ASN 332 CO 0.77 -0.90 1.40 1.55 -2.79 0.00 0.00 177.10 177.13 2gjx h PRO 333 N 8.91 0.82 -0.10 0.43 0.13 -1.84 -2.56 132.00 137.79 2gjx h PRO 333 Ca -0.30 -0.50 0.03 0.00 -0.87 0.00 0.00 66.00 64.36 2gjx h PRO 333 Cb 1.12 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2gjx h PRO 333 CO 0.98 1.14 0.13 1.49 -0.23 0.00 0.00 178.00 181.50 2gjx h GLU 334 N 0.59 0.00 0.15 0.86 4.22 -1.94 -1.41 114.58 117.06 2gjx h GLU 334 Ca 0.02 0.00 -0.31 0.00 0.08 0.00 0.00 59.36 59.16 2gjx h GLU 334 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2gjx h GLU 334 CO 0.11 0.00 -1.53 0.82 -2.18 0.00 0.00 179.01 176.23 2gjx h ILE 335 N 0.00 1.02 -0.34 2.32 2.04 -1.83 -3.32 117.51 117.39 2gjx h ILE 335 Ca 0.05 -2.46 0.10 0.00 1.00 0.00 0.00 64.86 63.55 2gjx h ILE 335 Cb 0.30 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 2gjx h ILE 335 CO -0.00 0.78 0.33 1.56 0.00 0.00 0.00 178.15 180.81 2gjx h GLN 336 N -0.12 0.00 -0.08 2.37 1.08 -0.86 0.21 115.11 117.72 2gjx h GLN 336 Ca -0.31 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.88 2gjx h GLN 336 Cb 1.91 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.34 2gjx h GLN 336 CO 0.12 0.00 0.03 0.22 -0.95 0.00 0.00 178.83 178.25 2gjx h ASP 337 N 0.00 0.11 0.82 1.46 3.58 -1.52 -2.97 116.42 117.89 2gjx h ASP 337 Ca 0.16 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 2gjx h ASP 337 Cb 0.82 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.83 2gjx h ASP 337 CO -0.00 0.25 -0.15 0.15 -2.88 0.00 0.00 179.24 176.61 2gjx h PHE 338 N -0.05 0.00 0.17 0.28 3.57 -0.77 -3.03 116.94 117.12 2gjx h PHE 338 Ca 0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2gjx h PHE 338 Cb 0.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.92 2gjx h PHE 338 CO -0.01 0.15 -0.08 0.52 -2.23 0.00 0.00 178.31 176.66 2gjx h MET 339 N 0.00 -0.22 0.00 1.11 2.86 -1.01 -2.94 114.93 114.74 2gjx h MET 339 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2gjx h MET 339 Cb 0.60 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2gjx h MET 339 CO 0.02 -0.10 0.00 0.00 1.06 0.00 0.00 176.91 177.89 2gjx h ARG 340 N -0.28 0.00 0.19 1.72 3.08 -1.56 0.13 114.38 117.65 2gjx h ARG 340 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2gjx h ARG 340 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2gjx h ARG 340 CO 0.04 0.00 -0.09 0.87 -1.07 0.00 0.00 179.97 179.72 2gjx h LYS 341 N 0.00 -0.25 -0.00 0.04 1.57 -1.39 -2.81 116.57 113.73 2gjx h LYS 341 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2gjx h LYS 341 Cb 0.82 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2gjx h LYS 341 CO 0.00 -0.06 -0.06 1.63 -0.57 0.00 0.00 179.45 180.39 2gjx n LYS 342 N -5.14 0.61 -1.02 3.15 4.76 -1.15 -4.91 118.16 114.46 2gjx n LYS 342 Ca -0.09 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 2gjx n LYS 342 Cb 0.17 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 2gjx n LYS 342 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gjx n GLY 343 N 1.26 0.47 0.12 0.72 0.00 -1.06 -4.97 105.19 101.73 2gjx n GLY 343 Ca 0.15 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 2gjx n GLY 343 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2gjx h PHE 344 N 0.00 0.41 0.00 1.61 0.04 -1.01 -3.48 116.94 114.51 2gjx h PHE 344 Ca 0.00 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.60 2gjx h PHE 344 Cb 0.14 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.22 2gjx h PHE 344 CO 0.00 0.89 0.00 0.41 -0.60 0.00 0.00 178.31 179.01 2gjx n GLY 345 N 0.63 1.47 0.07 -1.45 0.00 -1.04 -3.68 105.19 101.18 2gjx n GLY 345 Ca -0.08 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2gjx n GLY 345 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gjx h GLU 346 N 0.00 0.00 -6.23 1.61 4.39 -1.93 -3.45 114.58 108.97 2gjx h GLU 346 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2gjx h GLU 346 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2gjx h GLU 346 CO 0.00 0.60 1.27 0.34 -1.16 0.00 0.00 179.01 180.06 2gjx s ASP 347 N -6.06 6.18 0.12 1.42 2.15 -1.24 -4.86 116.67 114.38 2gjx s ASP 347 Ca -0.14 2.17 0.24 0.00 0.43 0.00 0.00 52.55 55.25 2gjx s ASP 347 Cb -0.00 -2.53 0.23 0.00 -0.30 0.00 0.00 42.92 40.32 2gjx s ASP 347 CO 0.42 -1.34 1.22 -0.26 -0.17 0.00 0.00 175.17 175.04 2gjx h PHE 348 N 11.75 0.00 0.00 -5.34 0.04 -1.90 -3.34 116.94 118.15 2gjx h PHE 348 Ca -0.43 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.34 2gjx h PHE 348 Cb 1.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 2gjx h PHE 348 CO 0.94 0.00 -0.03 0.87 -0.60 0.00 0.00 178.31 179.49 2gjx h LYS 349 N 0.00 0.00 -0.01 1.51 1.57 -1.97 0.06 116.57 117.73 2gjx h LYS 349 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gjx h LYS 349 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2gjx h LYS 349 CO 0.00 0.03 -0.40 0.00 -0.57 0.00 0.00 179.45 178.51 2gjx n GLN 350 N -3.82 1.04 -0.03 3.15 10.64 -1.25 -3.29 117.38 123.82 2gjx n GLN 350 Ca -0.03 -0.78 -0.15 0.00 -1.83 0.00 0.00 57.00 54.22 2gjx n GLN 350 Cb 0.12 -1.48 -0.11 0.00 -0.86 0.00 0.00 30.24 27.91 2gjx n GLN 350 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2gjx h LEU 351 N 1.90 0.21 -0.97 2.61 5.85 -1.14 -2.97 115.31 120.80 2gjx h LEU 351 Ca 0.00 -0.73 -0.06 0.00 0.84 0.00 0.00 57.88 57.93 2gjx h LEU 351 Cb 0.65 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2gjx h LEU 351 CO 0.00 0.91 -0.27 1.05 -0.34 0.00 0.00 178.44 179.78 2gjx h GLU 352 N -0.47 0.00 -0.80 1.25 4.11 -1.68 -2.83 114.58 114.16 2gjx h GLU 352 Ca -0.02 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.47 2gjx h GLU 352 Cb 0.93 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.12 2gjx h GLU 352 CO 0.04 0.27 0.48 1.03 0.07 0.00 0.00 179.01 180.91 2gjx h SER 353 N 0.00 0.75 -0.74 3.06 0.87 -1.54 0.75 113.55 116.71 2gjx h SER 353 Ca -0.00 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 2gjx h SER 353 Cb 0.83 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 2gjx h SER 353 CO 0.04 0.48 0.28 0.15 -0.53 0.00 0.00 176.83 177.24 2gjx h PHE 354 N 0.89 1.15 -0.06 2.24 3.57 -1.34 -1.70 116.94 121.69 2gjx h PHE 354 Ca 0.35 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2gjx h PHE 354 Cb 0.17 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 2gjx h PHE 354 CO -0.04 0.89 -0.05 -0.92 -2.23 0.00 0.00 178.31 175.95 2gjx h TYR 355 N 1.07 0.16 -0.81 0.41 3.20 -1.09 -2.45 116.97 117.46 2gjx h TYR 355 Ca 0.24 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2gjx h TYR 355 Cb 0.24 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 2gjx h TYR 355 CO 0.02 0.57 0.48 0.82 -1.64 0.00 0.00 178.16 178.41 2gjx h ILE 356 N -0.29 1.23 -0.72 1.81 2.04 0.47 -0.57 117.51 121.49 2gjx h ILE 356 Ca 0.01 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 2gjx h ILE 356 Cb 0.54 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2gjx h ILE 356 CO 0.01 0.24 0.23 1.56 0.00 0.00 0.00 178.15 180.19 2gjx h GLN 357 N 1.11 1.10 -0.19 2.37 4.20 -1.35 -1.08 115.11 121.28 2gjx h GLN 357 Ca 0.29 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2gjx h GLN 357 Cb -0.03 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2gjx h GLN 357 CO -0.05 0.94 0.03 1.15 -0.67 0.00 0.00 178.83 180.23 2gjx h THR 358 N 1.06 1.22 -0.63 -0.54 2.02 -0.92 -1.94 112.91 113.19 2gjx h THR 358 Ca 0.23 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.72 2gjx h THR 358 Cb 0.29 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 2gjx h THR 358 CO -0.01 0.22 0.41 0.25 0.37 0.00 0.00 175.52 176.76 2gjx h LEU 359 N 0.10 0.70 -1.53 2.58 5.85 -0.95 -2.09 115.31 119.97 2gjx h LEU 359 Ca 0.06 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2gjx h LEU 359 Cb 0.30 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2gjx h LEU 359 CO 0.00 0.51 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.30 2gjx h LEU 360 N 0.83 0.00 0.03 2.25 3.38 -1.12 -2.47 115.31 118.22 2gjx h LEU 360 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2gjx h LEU 360 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2gjx h LEU 360 CO -0.06 0.24 -0.02 0.44 0.09 0.00 0.00 178.44 179.13 2gjx h ASP 361 N 0.00 -0.04 -0.65 -0.43 3.32 -0.69 0.25 116.42 118.18 2gjx h ASP 361 Ca -0.00 -0.42 0.11 0.00 0.02 0.00 0.00 57.03 56.74 2gjx h ASP 361 Cb 0.50 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.98 2gjx h ASP 361 CO 0.03 0.41 0.23 0.40 -1.72 0.00 0.00 179.24 178.59 2gjx h ILE 362 N -0.50 0.72 -0.25 0.35 2.04 -1.25 -1.87 117.51 116.74 2gjx h ILE 362 Ca -0.00 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 2gjx h ILE 362 Cb 0.46 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2gjx h ILE 362 CO 0.01 0.07 -0.23 0.58 0.00 0.00 0.00 178.15 178.57 2gjx h VAL 363 N 0.39 1.31 -0.35 1.67 2.07 -1.43 -3.13 116.25 116.79 2gjx h VAL 363 Ca 0.34 -1.39 0.10 0.00 0.82 0.00 0.00 66.70 66.56 2gjx h VAL 363 Cb 0.46 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2gjx h VAL 363 CO -0.35 0.44 0.35 -1.28 0.02 0.00 0.00 177.57 176.74 2gjx h SER 364 N 0.31 0.00 -0.03 0.57 0.87 0.28 0.18 113.55 115.73 2gjx h SER 364 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2gjx h SER 364 Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2gjx h SER 364 CO 0.06 0.00 0.00 -1.54 -0.53 0.00 0.00 176.83 174.82 2gjx n SER 365 N -3.86 1.54 -1.19 6.23 3.41 -0.84 -3.54 113.62 115.37 2gjx n SER 365 Ca 0.06 -1.53 0.11 0.00 -0.26 0.00 0.00 58.87 57.25 2gjx n SER 365 Cb 0.51 -0.01 0.27 0.00 -0.26 0.00 0.00 64.21 64.72 2gjx n SER 365 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2gjx n TYR 366 N 0.21 0.77 -3.20 7.33 0.53 0.64 -4.95 117.16 118.49 2gjx n TYR 366 Ca 0.19 -0.42 -0.18 0.00 -1.02 0.00 0.00 57.90 56.46 2gjx n TYR 366 Cb 0.36 -0.00 0.05 0.00 -1.03 0.00 0.00 39.34 38.71 2gjx n TYR 366 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2gjx n GLY 367 N 1.44 -0.21 3.25 2.72 0.00 -1.23 -5.01 105.19 106.15 2gjx n GLY 367 Ca 0.21 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 2gjx n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gjx s LYS 368 N -5.84 2.72 0.82 1.61 -0.14 -1.24 -4.94 119.74 112.72 2gjx s LYS 368 Ca 0.39 -0.90 -0.12 0.00 -1.36 0.00 0.00 55.97 53.99 2gjx s LYS 368 Cb -0.17 -2.21 0.08 0.00 -1.68 0.00 0.00 37.83 33.85 2gjx s LYS 368 CO 0.48 0.31 1.11 0.20 -0.76 0.00 0.00 175.35 176.69 2gjx s GLY 369 N 0.00 1.61 -0.04 -3.33 0.00 0.84 -4.48 107.32 101.93 2gjx s GLY 369 Ca -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.33 2gjx s GLY 369 CO 0.05 0.16 0.07 -2.52 0.00 0.00 0.00 173.10 170.87 2gjx s TYR 370 N -3.20 -0.03 -0.08 1.90 1.13 -1.26 -1.06 117.35 114.75 2gjx s TYR 370 Ca 0.61 0.26 0.01 0.00 -1.41 0.00 0.00 57.07 56.54 2gjx s TYR 370 Cb -0.14 -0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.48 2gjx s TYR 370 CO 0.54 -0.13 -0.08 0.08 -2.51 0.00 0.00 175.55 173.46 2gjx s VAL 371 N 1.23 3.62 0.02 -3.49 1.01 -0.11 -2.00 120.40 120.68 2gjx s VAL 371 Ca -0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2gjx s VAL 371 Cb -0.12 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2gjx s VAL 371 CO -0.04 0.59 -0.01 0.54 0.00 0.00 0.00 175.10 176.18 2gjx s VAL 372 N -0.64 0.11 1.13 2.92 0.11 -0.44 -1.63 120.40 121.95 2gjx s VAL 372 Ca 0.10 -0.90 -0.13 0.00 -2.93 0.00 0.00 61.98 58.12 2gjx s VAL 372 Cb -0.11 -0.31 0.26 0.00 -1.53 0.00 0.00 36.38 34.69 2gjx s VAL 372 CO 0.02 -0.50 1.04 0.26 -3.33 0.00 0.00 175.10 172.59 2gjx s TRP 373 N -1.51 1.53 0.03 1.54 0.52 -0.48 -0.97 118.94 119.60 2gjx s TRP 373 Ca -0.15 1.12 0.32 0.00 0.02 0.00 0.00 56.10 57.41 2gjx s TRP 373 Cb -0.09 -3.14 1.27 0.00 -1.15 0.00 0.00 33.47 30.36 2gjx s TRP 373 CO -0.01 -3.67 1.94 -0.56 0.02 0.00 0.00 176.95 174.68 2gjx h GLN 374 N -2.47 0.00 -0.98 4.98 3.07 -1.63 -3.14 115.11 114.94 2gjx h GLN 374 Ca -0.60 0.00 0.07 0.00 0.09 0.00 0.00 58.65 58.21 2gjx h GLN 374 Cb 1.33 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.83 2gjx h GLN 374 CO 0.52 0.00 0.63 0.93 0.09 0.00 0.00 178.83 181.01 2gjx h GLU 375 N 0.00 1.10 0.03 0.06 3.07 -1.88 -0.55 114.58 116.41 2gjx h GLU 375 Ca 0.00 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 2gjx h GLU 375 Cb 0.55 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 2gjx h GLU 375 CO 0.00 0.73 -0.10 0.28 -1.40 0.00 0.00 179.01 178.51 2gjx h VAL 376 N 1.13 0.75 -0.19 3.13 2.07 -1.74 0.82 116.25 122.22 2gjx h VAL 376 Ca 0.42 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.87 2gjx h VAL 376 Cb 0.19 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2gjx h VAL 376 CO -0.17 0.00 -0.20 0.15 0.02 0.00 0.00 177.57 177.37 2gjx h PHE 377 N -0.19 0.36 -0.37 1.57 3.04 -1.64 -2.61 116.94 117.10 2gjx h PHE 377 Ca 0.03 -0.06 -0.13 0.00 3.98 0.00 0.00 57.97 61.79 2gjx h PHE 377 Cb 0.22 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 2gjx h PHE 377 CO -0.15 0.52 -0.26 -0.44 -2.02 0.00 0.00 178.31 175.95 2gjx h ASP 378 N 0.30 0.87 0.00 0.41 3.45 -0.65 -1.83 116.42 118.97 2gjx h ASP 378 Ca 0.05 -0.44 0.00 0.00 0.43 0.00 0.00 57.03 57.08 2gjx h ASP 378 Cb 0.53 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 2gjx h ASP 378 CO 0.03 1.12 0.00 0.59 -1.57 0.00 0.00 179.24 179.41 2gjx n ASN 379 N -4.20 0.00 -3.95 6.45 4.13 0.24 -4.90 115.26 113.03 2gjx n ASN 379 Ca -0.02 -1.85 -0.26 0.00 1.68 0.00 0.00 54.58 54.13 2gjx n ASN 379 Cb 0.47 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.63 2gjx n ASN 379 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2gjx n LYS 380 N -0.51 -0.93 -2.55 3.52 2.85 -0.69 -4.89 118.16 114.97 2gjx n LYS 380 Ca 0.00 0.08 -0.43 0.00 -1.05 0.00 0.00 58.31 56.91 2gjx n LYS 380 Cb 0.00 -2.98 -0.02 0.00 -0.65 0.00 0.00 35.03 31.38 2gjx n LYS 380 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2gjx s VAL 381 N -3.92 4.14 0.35 0.58 0.11 -1.16 -4.99 120.40 115.51 2gjx s VAL 381 Ca 0.10 1.16 -0.29 0.00 -2.93 0.00 0.00 61.98 60.02 2gjx s VAL 381 Cb -0.06 -4.52 -0.11 0.00 -1.53 0.00 0.00 36.38 30.16 2gjx s VAL 381 CO 0.80 -0.96 1.52 -1.59 -3.33 0.00 0.00 175.10 171.54 2gjx s LYS 382 N 4.57 4.11 0.23 1.54 0.00 -1.26 -4.87 119.74 124.05 2gjx s LYS 382 Ca 0.51 2.58 -0.22 0.00 0.00 0.00 0.00 55.97 58.84 2gjx s LYS 382 Cb -0.08 -2.98 0.06 0.00 0.00 0.00 0.00 37.83 34.82 2gjx s LYS 382 CO 0.32 -0.57 0.90 -1.50 0.00 0.00 0.00 175.35 174.50 2gjx s ILE 383 N -0.79 0.00 0.08 3.79 1.10 -1.26 -4.91 121.20 119.21 2gjx s ILE 383 Ca 0.56 -0.78 -0.32 0.00 -0.51 0.00 0.00 60.65 59.60 2gjx s ILE 383 Cb -0.47 -2.34 -0.17 0.00 0.15 0.00 0.00 42.46 39.63 2gjx s ILE 383 CO 0.59 0.00 0.77 0.00 -2.11 0.00 0.00 174.94 174.19 2gjx n GLN 384 N -0.53 0.00 0.00 3.50 3.00 -1.26 -4.79 117.38 117.30 2gjx n GLN 384 Ca -0.05 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.96 2gjx n GLN 384 Cb 0.60 -1.18 0.11 0.00 0.00 0.00 0.00 30.24 29.77 2gjx n GLN 384 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2gjx n PRO 385 N 1.18 0.50 0.01 -1.09 -0.04 -1.26 -2.11 135.00 132.18 2gjx n PRO 385 Ca 0.18 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 2gjx n PRO 385 Cb 0.14 -1.12 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 2gjx n PRO 385 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2gjx n ASP 386 N -0.62 0.24 -4.66 3.54 8.00 -1.26 -4.76 116.55 117.03 2gjx n ASP 386 Ca 0.03 -0.09 -0.46 0.00 0.71 0.00 0.00 54.79 54.98 2gjx n ASP 386 Cb 0.01 1.65 -0.03 0.00 -0.02 0.00 0.00 41.12 42.73 2gjx n ASP 386 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2gjx n THR 387 N -2.20 0.53 -3.45 -3.53 -1.04 -0.90 -4.81 114.28 98.88 2gjx n THR 387 Ca -0.02 -0.13 -0.38 0.00 -2.04 0.00 0.00 64.05 61.48 2gjx n THR 387 Cb 0.53 -1.43 -0.08 0.00 -1.82 0.00 0.00 70.33 67.53 2gjx n THR 387 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2gjx s ILE 388 N 0.33 5.23 -0.27 12.58 1.01 -0.85 -4.04 121.20 135.19 2gjx s ILE 388 Ca 0.73 0.57 -0.14 0.00 0.00 0.00 0.00 60.65 61.82 2gjx s ILE 388 Cb -0.69 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 2gjx s ILE 388 CO 0.45 0.26 0.32 -0.63 0.00 0.00 0.00 174.94 175.34 2gjx s ILE 389 N 1.36 5.21 -0.37 2.92 -1.09 -0.81 -1.33 121.20 127.09 2gjx s ILE 389 Ca 0.16 0.47 -0.17 0.00 -2.23 0.00 0.00 60.65 58.88 2gjx s ILE 389 Cb -0.15 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 2gjx s ILE 389 CO 0.07 0.19 0.43 -1.58 -1.23 0.00 0.00 174.94 172.82 2gjx s GLN 390 N 1.95 3.42 -0.18 2.79 0.74 -0.15 -0.96 119.66 127.28 2gjx s GLN 390 Ca 0.13 -0.46 -0.27 0.00 0.05 0.00 0.00 55.36 54.81 2gjx s GLN 390 Cb -0.16 -3.86 -0.01 0.00 1.10 0.00 0.00 33.01 30.08 2gjx s GLN 390 CO 0.10 -0.67 0.91 0.08 -0.55 0.00 0.00 175.29 175.16 2gjx s VAL 391 N 2.17 4.81 0.00 1.34 1.01 -0.42 -1.62 120.40 127.69 2gjx s VAL 391 Ca 0.14 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.92 2gjx s VAL 391 Cb -0.16 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.01 2gjx s VAL 391 CO 0.13 -0.04 0.00 -2.67 0.00 0.00 0.00 175.10 172.52 2gjx n TRP 392 N 5.52 0.00 -2.16 5.22 4.27 -1.26 -1.66 117.44 127.37 2gjx n TRP 392 Ca 0.07 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.28 2gjx n TRP 392 Cb 0.48 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.41 2gjx n TRP 392 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 2gjx s ARG 393 N -1.60 4.34 -0.16 -2.67 0.52 -1.26 -4.33 118.95 113.79 2gjx s ARG 393 Ca 0.00 2.14 -0.19 0.00 -0.52 0.00 0.00 55.73 57.17 2gjx s ARG 393 Cb 0.00 -3.03 -0.16 0.00 0.52 0.00 0.00 34.95 32.28 2gjx s ARG 393 CO 0.00 -0.18 0.30 0.93 0.02 0.00 0.00 175.30 176.38 2gjx h GLU 394 N 3.32 0.00 0.00 3.54 5.08 -1.90 -3.37 114.58 121.25 2gjx h GLU 394 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2gjx h GLU 394 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2gjx h GLU 394 CO 0.65 0.69 -0.93 -0.25 -1.00 0.00 0.00 179.01 178.16 2gjx n ASP 395 N -4.58 4.66 -4.29 1.42 10.43 -1.26 -1.27 116.55 121.67 2gjx n ASP 395 Ca -0.16 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 56.90 2gjx n ASP 395 Cb 0.44 0.71 -0.16 0.00 1.84 0.00 0.00 41.12 43.96 2gjx n ASP 395 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2gjx s ILE 396 N -1.90 2.00 0.38 0.53 -4.36 -1.26 -2.71 121.20 113.89 2gjx s ILE 396 Ca 0.00 -1.08 0.10 0.00 -0.26 0.00 0.00 60.65 59.41 2gjx s ILE 396 Cb 0.00 -1.67 0.15 0.00 1.25 0.00 0.00 42.46 42.20 2gjx s ILE 396 CO 0.00 0.56 1.91 -0.65 0.24 0.00 0.00 174.94 177.00 2gjx h PRO 397 N 5.60 0.22 -4.44 0.37 0.11 -1.96 -3.45 132.00 128.44 2gjx h PRO 397 Ca -0.41 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.46 2gjx h PRO 397 Cb 1.13 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.06 2gjx h PRO 397 CO 0.47 0.38 -0.63 0.54 -0.21 0.00 0.00 178.00 178.55 2gjx s VAL 398 N -4.68 0.08 0.46 3.15 0.11 -1.10 -5.14 120.40 113.29 2gjx s VAL 398 Ca -0.05 -1.91 -0.24 0.00 -2.93 0.00 0.00 61.98 56.85 2gjx s VAL 398 Cb 0.15 -2.13 -0.08 0.00 -1.53 0.00 0.00 36.38 32.79 2gjx s VAL 398 CO 0.73 -0.37 1.25 -3.20 -3.33 0.00 0.00 175.10 170.19 2gjx n ASN 399 N -0.13 2.39 0.27 3.54 2.85 -1.20 -4.12 115.26 118.85 2gjx n ASN 399 Ca -0.04 1.06 0.11 0.00 -0.11 0.00 0.00 54.58 55.60 2gjx n ASN 399 Cb 0.64 -1.50 0.75 0.00 1.24 0.00 0.00 39.78 40.91 2gjx n ASN 399 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 2gjx h TYR 400 N 1.81 0.00 0.02 1.20 -0.00 -1.36 0.72 116.97 119.37 2gjx h TYR 400 Ca -0.48 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.04 2gjx h TYR 400 Cb 1.30 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.02 2gjx h TYR 400 CO 0.46 0.05 -0.94 0.52 -0.00 0.00 0.00 178.16 178.26 2gjx h MET 401 N 0.00 0.12 -0.01 0.10 2.86 -1.90 -1.68 114.93 114.42 2gjx h MET 401 Ca -0.00 -0.16 -0.17 0.00 -2.06 0.00 0.00 59.70 57.32 2gjx h MET 401 Cb 0.11 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2gjx h MET 401 CO 0.01 0.97 -0.77 0.87 1.06 0.00 0.00 176.91 179.04 2gjx h LYS 402 N 0.06 0.08 -0.40 1.72 1.79 -1.34 -2.90 116.57 115.59 2gjx h LYS 402 Ca -0.04 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.24 2gjx h LYS 402 Cb 1.61 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.27 2gjx h LYS 402 CO 0.14 0.81 -0.19 1.49 -1.08 0.00 0.00 179.45 180.62 2gjx h GLU 403 N 0.05 0.83 -0.09 3.15 4.57 0.46 -2.51 114.58 121.04 2gjx h GLU 403 Ca -0.02 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 57.77 2gjx h GLU 403 Cb 1.35 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 2gjx h GLU 403 CO 0.11 0.99 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.77 2gjx h LEU 404 N 0.64 0.12 -0.54 1.64 3.38 -1.30 -1.61 115.31 117.64 2gjx h LEU 404 Ca 0.09 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 2gjx h LEU 404 Cb 0.74 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2gjx h LEU 404 CO 0.06 0.23 -0.62 -0.08 0.09 0.00 0.00 178.44 178.12 2gjx h GLU 405 N 0.13 0.39 -0.01 1.13 4.81 -1.27 -2.54 114.58 117.22 2gjx h GLU 405 Ca 0.03 -0.27 -0.10 0.00 -0.13 0.00 0.00 59.36 58.89 2gjx h GLU 405 Cb 0.24 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.67 2gjx h GLU 405 CO 0.01 0.89 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.72 2gjx h LEU 406 N 0.29 0.36 -0.69 1.64 4.07 -1.03 -2.04 115.31 117.91 2gjx h LEU 406 Ca -0.01 -0.75 0.03 0.00 0.08 0.00 0.00 57.88 57.23 2gjx h LEU 406 Cb 1.16 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.74 2gjx h LEU 406 CO 0.11 1.06 0.43 0.58 -1.08 0.00 0.00 178.44 179.54 2gjx h VAL 407 N -0.31 1.08 0.00 1.22 2.07 -1.36 -1.25 116.25 117.70 2gjx h VAL 407 Ca -0.05 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2gjx h VAL 407 Cb 1.12 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2gjx h VAL 407 CO 0.08 0.15 0.00 0.71 0.02 0.00 0.00 177.57 178.53 2gjx h THR 408 N 0.83 0.00 0.00 2.57 1.35 -1.55 -2.47 112.91 113.64 2gjx h THR 408 Ca 0.28 -0.71 -0.11 0.00 -0.55 0.00 0.00 66.41 65.32 2gjx h THR 408 Cb 0.03 1.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 2gjx h THR 408 CO -0.11 0.00 -0.54 0.50 -0.25 0.00 0.00 175.52 175.12 2gjx h LYS 409 N 0.00 0.00 -0.00 4.72 1.63 -0.54 -3.11 116.57 119.26 2gjx h LYS 409 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2gjx h LYS 409 Cb 0.82 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 2gjx h LYS 409 CO 0.00 0.54 -0.21 0.00 -3.45 0.00 0.00 179.45 176.33 2gjx n ALA 410 N -2.26 2.87 -0.63 5.00 0.00 -0.56 -4.93 120.51 120.00 2gjx n ALA 410 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2gjx n ALA 410 Cb 0.71 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2gjx n ALA 410 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gjx n GLY 411 N 1.45 0.90 3.85 0.00 0.00 -1.18 -5.09 105.19 105.12 2gjx n GLY 411 Ca 0.08 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 2gjx n GLY 411 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gjx s PHE 412 N -2.00 3.24 -0.16 1.61 0.08 -0.95 -4.93 117.98 114.87 2gjx s PHE 412 Ca 0.00 -0.00 -0.26 0.00 0.12 0.00 0.00 56.93 56.79 2gjx s PHE 412 Cb 0.00 -1.53 -0.01 0.00 -0.57 0.00 0.00 43.02 40.90 2gjx s PHE 412 CO 0.00 0.51 0.85 1.03 -0.10 0.00 0.00 175.22 177.52 2gjx s ARG 413 N -3.30 4.31 0.26 0.44 0.52 -1.26 -4.24 118.95 115.69 2gjx s ARG 413 Ca 0.32 1.06 -0.03 0.00 -0.52 0.00 0.00 55.73 56.57 2gjx s ARG 413 Cb -0.10 -3.57 -0.05 0.00 0.52 0.00 0.00 34.95 31.76 2gjx s ARG 413 CO 0.25 -0.32 0.49 0.00 0.02 0.00 0.00 175.30 175.74 2gjx s ALA 414 N 2.13 3.71 -0.32 2.13 0.00 -0.64 -1.93 121.76 126.85 2gjx s ALA 414 Ca 0.39 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 2gjx s ALA 414 Cb -0.17 -2.16 0.11 0.00 0.00 0.00 0.00 23.12 20.91 2gjx s ALA 414 CO 0.13 0.29 0.15 -1.17 0.00 0.00 0.00 175.76 175.16 2gjx s LEU 415 N -3.55 0.97 0.22 0.00 2.96 -0.13 -2.43 118.68 116.72 2gjx s LEU 415 Ca 0.41 -1.64 -0.30 0.00 -0.22 0.00 0.00 54.13 52.38 2gjx s LEU 415 Cb -0.11 -0.46 -0.09 0.00 0.50 0.00 0.00 46.19 46.04 2gjx s LEU 415 CO 0.30 -0.39 1.20 -0.22 -1.32 0.00 0.00 176.35 175.92 2gjx s LEU 416 N 1.68 4.46 0.00 -0.68 2.96 -0.47 -1.30 118.68 125.32 2gjx s LEU 416 Ca 0.12 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.33 2gjx s LEU 416 Cb -0.18 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.89 2gjx s LEU 416 CO -0.23 -0.36 0.08 -0.24 -1.32 0.00 0.00 176.35 174.27 2gjx n SER 417 N 2.12 0.00 0.12 3.68 2.88 -0.66 -1.92 113.62 119.84 2gjx n SER 417 Ca 0.03 -0.86 -0.11 0.00 -1.33 0.00 0.00 58.87 56.60 2gjx n SER 417 Cb 0.44 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.83 2gjx n SER 417 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gjx h ALA 418 N 0.00 -0.38 0.00 -1.46 0.00 -1.58 -3.31 119.26 112.53 2gjx h ALA 418 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2gjx h ALA 418 Cb 0.86 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2gjx h ALA 418 CO 0.00 -0.44 0.00 -0.35 0.00 0.00 0.00 179.25 178.46 2gjx n PRO 419 N -5.05 0.16 -1.77 0.00 -0.04 -1.26 -3.96 135.00 123.09 2gjx n PRO 419 Ca -0.08 0.20 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 2gjx n PRO 419 Cb 0.26 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 31.98 2gjx n PRO 419 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2gjx n TRP 420 N -2.00 2.19 -3.13 0.54 8.01 -1.25 -4.84 117.44 116.96 2gjx n TRP 420 Ca 0.05 -2.22 -0.44 0.00 -1.31 0.00 0.00 57.50 53.58 2gjx n TRP 420 Cb 0.35 -1.39 -0.06 0.00 -2.01 0.00 0.00 31.31 28.20 2gjx n TRP 420 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 2gjx s TYR 421 N -2.42 3.02 -0.14 -5.99 1.51 -1.25 -1.90 117.35 110.18 2gjx s TYR 421 Ca 0.55 -0.58 0.16 0.00 -1.01 0.00 0.00 57.07 56.18 2gjx s TYR 421 Cb 0.35 -3.64 0.12 0.00 -0.11 0.00 0.00 41.96 38.68 2gjx s TYR 421 CO -0.24 -1.09 1.47 -0.07 -1.11 0.00 0.00 175.55 174.50 2gjx h LEU 422 N 9.82 0.00 -1.82 -1.29 3.38 -1.23 -3.05 115.31 121.13 2gjx h LEU 422 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2gjx h LEU 422 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2gjx h LEU 422 CO 0.99 0.48 -0.10 -0.55 0.09 0.00 0.00 178.44 179.35 2gjx h ASN 423 N 0.00 0.00 -1.44 -0.43 -1.07 -1.85 -3.30 115.58 107.50 2gjx h ASN 423 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 56.30 55.88 2gjx h ASN 423 Cb 1.34 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 37.52 2gjx h ASN 423 CO 0.06 0.10 1.18 -0.13 0.07 0.00 0.00 177.43 178.71 2gjx s ARG 424 N -4.79 3.06 0.30 4.14 0.52 -1.15 -4.99 118.95 116.04 2gjx s ARG 424 Ca -0.04 -0.41 -0.05 0.00 -0.52 0.00 0.00 55.73 54.71 2gjx s ARG 424 Cb 0.16 -4.85 -0.05 0.00 0.52 0.00 0.00 34.95 30.73 2gjx s ARG 424 CO 0.68 -2.59 0.57 0.96 0.02 0.00 0.00 175.30 174.94 2gjx s ILE 425 N 7.19 5.00 0.05 1.52 -4.36 -1.24 -4.97 121.20 124.38 2gjx s ILE 425 Ca 0.53 0.11 -0.18 0.00 -0.26 0.00 0.00 60.65 60.85 2gjx s ILE 425 Cb -0.06 -3.73 0.04 0.00 1.25 0.00 0.00 42.46 39.96 2gjx s ILE 425 CO 0.03 -0.33 0.42 -0.94 0.24 0.00 0.00 174.94 174.36 2gjx s SER 426 N -3.14 -0.29 0.47 4.36 1.04 -1.26 -5.15 113.70 109.72 2gjx s SER 426 Ca 0.45 -0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.62 2gjx s SER 426 Cb -0.11 0.43 -0.07 0.00 0.10 0.00 0.00 66.02 66.37 2gjx s SER 426 CO 0.30 -0.68 1.36 -0.47 0.98 0.00 0.00 173.24 174.73 2gjx s TYR 427 N -2.57 2.52 0.00 5.02 5.04 -1.26 -4.71 117.35 121.39 2gjx s TYR 427 Ca -0.05 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.93 2gjx s TYR 427 Cb -0.01 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.51 2gjx s TYR 427 CO -0.03 -2.63 0.00 0.41 -1.34 0.00 0.00 175.55 171.96 2gjx n GLY 428 N 0.63 -2.23 3.58 8.97 0.00 -1.26 -4.63 105.19 110.25 2gjx n GLY 428 Ca 0.06 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 2gjx n GLY 428 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gjx s PRO 429 N -0.27 3.96 0.00 1.61 0.04 -1.26 -4.74 135.00 134.33 2gjx s PRO 429 Ca 0.00 -1.95 0.30 0.00 0.04 0.00 0.00 61.00 59.39 2gjx s PRO 429 Cb 0.00 -5.53 1.75 0.00 0.04 0.00 0.00 34.50 30.76 2gjx s PRO 429 CO 0.00 -2.26 2.11 -0.40 0.04 0.00 0.00 177.00 176.49 2gjx n ASP 430 N 8.44 0.00 0.27 6.66 5.75 -1.26 -2.99 116.55 133.42 2gjx n ASP 430 Ca 0.48 -0.84 0.16 0.00 -0.01 0.00 0.00 54.79 54.58 2gjx n ASP 430 Cb 0.46 -0.03 0.73 0.00 -1.03 0.00 0.00 41.12 41.25 2gjx n ASP 430 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2gjx h TRP 431 N 0.00 0.00 0.00 2.11 5.08 -1.92 -1.94 115.95 119.29 2gjx h TRP 431 Ca 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 2gjx h TRP 431 Cb 0.03 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.18 2gjx h TRP 431 CO 0.00 0.07 -0.30 0.87 -1.28 0.00 0.00 178.44 177.80 2gjx h LYS 432 N 0.00 0.00 -0.14 0.12 1.57 -1.95 -1.40 116.57 114.77 2gjx h LYS 432 Ca -0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 2gjx h LYS 432 Cb 0.45 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.77 2gjx h LYS 432 CO 0.01 0.30 -0.81 -0.44 -0.57 0.00 0.00 179.45 177.94 2gjx h ASP 433 N 0.00 0.94 0.41 0.86 3.45 -1.58 -2.83 116.42 117.67 2gjx h ASP 433 Ca -0.00 -0.63 -0.16 0.00 0.43 0.00 0.00 57.03 56.66 2gjx h ASP 433 Cb 0.65 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.13 2gjx h ASP 433 CO 0.04 1.43 -0.68 -0.26 -1.57 0.00 0.00 179.24 178.20 2gjx h PHE 434 N 0.53 0.33 0.00 4.55 0.04 -1.49 -3.27 116.94 117.62 2gjx h PHE 434 Ca -0.06 -0.14 -0.13 0.00 2.80 0.00 0.00 57.97 60.44 2gjx h PHE 434 Cb 1.44 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.52 2gjx h PHE 434 CO 0.09 0.85 -0.61 -0.92 -0.60 0.00 0.00 178.31 177.11 2gjx h TYR 435 N 0.17 0.00 -0.00 -0.55 3.20 -1.29 -3.22 116.97 115.27 2gjx h TYR 435 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2gjx h TYR 435 Cb 1.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.49 2gjx h TYR 435 CO 0.03 0.61 -0.19 1.55 -1.64 0.00 0.00 178.16 178.52 2gjx n VAL 436 N -3.41 0.00 -1.91 1.81 3.14 -1.07 -4.89 118.33 112.00 2gjx n VAL 436 Ca 0.00 -0.03 -0.42 0.00 -2.96 0.00 0.00 64.34 60.94 2gjx n VAL 436 Cb 0.71 -0.10 -0.03 0.00 -1.06 0.00 0.00 33.84 33.36 2gjx n VAL 436 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2gjx s VAL 437 N -2.77 2.55 -0.32 1.55 1.01 -1.22 -5.00 120.40 116.21 2gjx s VAL 437 Ca 0.20 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 2gjx s VAL 437 Cb 0.19 -3.26 0.07 0.00 0.00 0.00 0.00 36.38 33.38 2gjx s VAL 437 CO 0.55 0.03 0.03 -0.70 0.00 0.00 0.00 175.10 175.02 2gjx s GLU 438 N 1.08 2.20 0.48 2.72 2.56 -1.26 -5.00 118.70 121.48 2gjx s GLU 438 Ca 0.70 -1.46 0.14 0.00 0.00 0.00 0.00 54.97 54.34 2gjx s GLU 438 Cb -0.44 -3.23 1.14 0.00 2.00 0.00 0.00 34.13 33.60 2gjx s GLU 438 CO 0.32 -0.74 2.10 -1.35 -0.56 0.00 0.00 175.26 175.02 2gjx h PRO 439 N 7.93 0.19 -0.60 4.30 0.11 -1.95 -2.57 132.00 139.40 2gjx h PRO 439 Ca -0.17 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.81 2gjx h PRO 439 Cb 1.05 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.05 2gjx h PRO 439 CO 0.56 0.13 0.14 1.28 -0.21 0.00 0.00 178.00 179.89 2gjx n LEU 440 N -4.50 5.59 -2.22 2.35 4.77 -1.26 -4.68 117.00 117.05 2gjx n LEU 440 Ca 0.01 -3.14 -0.19 0.00 -0.03 0.00 0.00 56.01 52.65 2gjx n LEU 440 Cb 0.14 -0.70 -0.09 0.00 -2.33 0.00 0.00 43.42 40.44 2gjx n LEU 440 CO 0.35 0.76 1.54 0.00 -1.33 0.00 0.00 177.39 178.71 2gjx n ALA 441 N -0.03 6.22 -2.72 -1.18 0.00 -0.97 -4.85 120.51 116.98 2gjx n ALA 441 Ca 0.34 -2.36 -0.12 0.00 0.00 0.00 0.00 53.44 51.29 2gjx n ALA 441 Cb 1.25 -2.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.49 2gjx n ALA 441 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2gjx s PHE 442 N -0.65 0.71 -0.40 0.00 -0.71 -1.26 -5.05 117.98 110.62 2gjx s PHE 442 Ca 0.57 -0.59 -0.28 0.00 -1.04 0.00 0.00 56.93 55.59 2gjx s PHE 442 Cb 0.33 -0.42 -0.00 0.00 -1.21 0.00 0.00 43.02 41.72 2gjx s PHE 442 CO -0.11 -0.10 1.61 -2.00 -1.34 0.00 0.00 175.22 173.28 2gjx s GLU 443 N -2.03 3.38 0.24 1.99 2.12 -1.26 -4.94 118.70 118.21 2gjx s GLU 443 Ca -0.06 1.09 -0.22 0.00 0.36 0.00 0.00 54.97 56.14 2gjx s GLU 443 Cb -0.07 -4.13 0.04 0.00 0.26 0.00 0.00 34.13 30.22 2gjx s GLU 443 CO -0.01 -1.80 0.81 0.20 -0.54 0.00 0.00 175.26 173.92 2gjx s GLY 444 N 5.20 -0.12 0.45 -1.50 0.00 -1.26 -4.99 107.32 105.09 2gjx s GLY 444 Ca 0.69 -0.18 -0.07 0.00 0.00 0.00 0.00 44.72 45.16 2gjx s GLY 444 CO 0.32 -0.04 0.77 -0.51 0.00 0.00 0.00 173.10 173.64 2gjx s THR 445 N -3.64 4.87 0.08 0.90 -4.23 -1.26 -4.87 115.64 107.49 2gjx s THR 445 Ca 0.12 0.34 -0.18 0.00 -1.18 0.00 0.00 61.69 60.79 2gjx s THR 445 Cb -0.04 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.93 2gjx s THR 445 CO 0.06 -0.72 1.30 -0.65 -0.54 0.00 0.00 174.62 174.06 2gjx h PRO 446 N 0.62 -0.11 0.00 3.99 0.11 -2.02 0.51 132.00 135.11 2gjx h PRO 446 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2gjx h PRO 446 Cb 1.20 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2gjx h PRO 446 CO 0.63 -0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 177.49 2gjx n GLU 447 N -4.21 0.04 0.07 1.05 0.00 -1.26 -1.86 120.64 114.47 2gjx n GLU 447 Ca -0.00 0.34 -0.22 0.00 0.00 0.00 0.00 57.16 57.28 2gjx n GLU 447 Cb 0.17 -1.58 -0.15 0.00 0.00 0.00 0.00 31.44 29.88 2gjx n GLU 447 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2gjx h GLN 448 N 0.00 0.36 0.00 3.44 4.15 -1.32 -3.30 115.11 118.44 2gjx h GLN 448 Ca 0.00 -0.62 0.00 0.00 0.77 0.00 0.00 58.65 58.80 2gjx h GLN 448 Cb 0.21 0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2gjx h GLN 448 CO 0.00 1.30 0.00 0.87 -1.93 0.00 0.00 178.83 179.07 2gjx h LYS 449 N -0.20 0.00 0.00 1.69 1.57 -0.52 -2.63 116.57 116.48 2gjx h LYS 449 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2gjx h LYS 449 Cb 1.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.14 2gjx h LYS 449 CO 0.17 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 2gjx h ALA 450 N 2.02 1.00 0.00 3.86 0.00 -1.44 -2.46 119.26 122.24 2gjx h ALA 450 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gjx h ALA 450 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2gjx h ALA 450 CO 0.00 0.00 -0.05 -0.07 0.00 0.00 0.00 179.25 179.13 2gjx h LEU 451 N 0.00 0.00 -8.99 0.00 3.38 -1.57 -3.41 115.31 104.72 2gjx h LEU 451 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2gjx h LEU 451 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2gjx h LEU 451 CO 0.00 0.05 0.91 -0.69 0.09 0.00 0.00 178.44 178.81 2gjx s VAL 452 N -3.77 4.30 -0.58 1.22 1.01 -0.93 -1.62 120.40 120.02 2gjx s VAL 452 Ca -0.00 1.50 0.16 0.00 0.00 0.00 0.00 61.98 63.63 2gjx s VAL 452 Cb 0.10 -4.22 0.58 0.00 0.00 0.00 0.00 36.38 32.84 2gjx s VAL 452 CO 0.55 -0.42 1.49 2.30 0.00 0.00 0.00 175.10 179.03 2gjx n ILE 453 N 5.94 1.99 0.00 2.22 -5.35 -1.02 -4.94 119.36 118.21 2gjx n ILE 453 Ca 0.14 -1.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.15 2gjx n ILE 453 Cb 0.46 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 2gjx n ILE 453 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gjx n GLY 454 N 0.28 0.22 0.00 3.28 0.00 -1.26 -1.62 105.19 106.08 2gjx n GLY 454 Ca 0.22 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2gjx n GLY 454 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gjx n GLY 455 N 0.00 0.95 3.07 -0.02 0.00 -0.60 -1.37 105.19 107.21 2gjx n GLY 455 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 2gjx n GLY 455 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gjx s GLU 456 N -1.40 0.55 -0.14 1.61 2.02 -0.81 -1.90 118.70 118.63 2gjx s GLU 456 Ca 0.00 -1.07 -0.05 0.00 0.02 0.00 0.00 54.97 53.87 2gjx s GLU 456 Cb 0.00 0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.38 2gjx s GLU 456 CO 0.00 -0.10 0.04 0.00 0.02 0.00 0.00 175.26 175.22 2gjx s ALA 457 N -3.34 3.40 -0.09 5.21 0.00 -0.78 -4.44 121.76 121.71 2gjx s ALA 457 Ca 0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 2gjx s ALA 457 Cb 0.04 -1.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 2gjx s ALA 457 CO -0.08 0.40 0.03 0.00 0.00 0.00 0.00 175.76 176.11 2gjx n MET 459 N 2.09 1.06 -2.26 0.00 0.00 0.17 -0.65 117.12 117.53 2gjx n MET 459 Ca -0.19 -3.81 -0.38 0.00 0.00 0.00 0.00 57.70 53.32 2gjx n MET 459 Cb 0.54 -1.92 -0.01 0.00 0.00 0.00 0.00 33.22 31.82 2gjx n MET 459 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2gjx s TRP 460 N -0.84 2.98 -1.45 1.12 0.52 -1.26 -2.52 118.94 117.49 2gjx s TRP 460 Ca 0.30 1.54 0.12 0.00 0.02 0.00 0.00 56.10 58.08 2gjx s TRP 460 Cb 0.03 -3.41 0.44 0.00 -1.15 0.00 0.00 33.47 29.38 2gjx s TRP 460 CO -0.17 -1.45 1.31 0.41 0.02 0.00 0.00 176.95 177.08 2gjx n GLY 461 N 0.57 1.61 0.27 0.98 0.00 -1.26 -4.47 105.19 102.89 2gjx n GLY 461 Ca 0.05 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.59 2gjx n GLY 461 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gjx h GLU 462 N 2.58 0.07 0.00 1.61 3.07 -1.92 -2.85 114.58 117.14 2gjx h GLU 462 Ca 0.00 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 2gjx h GLU 462 Cb 0.91 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.73 2gjx h GLU 462 CO 0.12 0.05 -0.47 0.66 -1.40 0.00 0.00 179.01 177.97 2gjx n TYR 463 N -5.37 0.00 -4.28 4.33 4.01 -1.26 -4.97 117.16 109.61 2gjx n TYR 463 Ca 0.12 -0.97 -0.21 0.00 -0.16 0.00 0.00 57.90 56.68 2gjx n TYR 463 Cb 0.43 -0.18 -0.16 0.00 -0.31 0.00 0.00 39.34 39.12 2gjx n TYR 463 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2gjx s VAL 464 N -2.09 0.68 0.00 -0.72 1.01 -1.07 -4.98 120.40 113.23 2gjx s VAL 464 Ca 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2gjx s VAL 464 Cb 0.30 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 36.01 2gjx s VAL 464 CO -0.05 0.25 0.00 -0.90 0.00 0.00 0.00 175.10 174.40 2gjx n ASP 465 N 3.91 0.00 0.18 3.32 3.85 -1.26 -4.59 116.55 121.96 2gjx n ASP 465 Ca -0.24 -0.21 0.09 0.00 -0.71 0.00 0.00 54.79 53.71 2gjx n ASP 465 Cb 0.51 0.00 0.46 0.00 -1.35 0.00 0.00 41.12 40.74 2gjx n ASP 465 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.20 175.06 2gjx h ASN 466 N 0.00 0.00 0.48 -1.12 -0.00 -1.95 -1.54 115.58 111.46 2gjx h ASN 466 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.30 56.00 2gjx h ASN 466 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 38.28 2gjx h ASN 466 CO 0.00 0.00 -1.66 0.00 -0.00 0.00 0.00 177.43 175.77 2gjx h THR 467 N 0.00 0.93 0.00 -3.57 1.03 -1.98 -3.41 112.91 105.92 2gjx h THR 467 Ca 0.00 -2.73 0.00 0.00 -0.01 0.00 0.00 66.41 63.67 2gjx h THR 467 Cb 0.49 2.52 0.00 0.00 -1.07 0.00 0.00 68.15 70.09 2gjx h THR 467 CO 0.00 0.64 -0.08 -0.46 -0.01 0.00 0.00 175.52 175.61 2gjx n ASN 468 N -3.19 0.73 0.44 0.00 6.94 -0.93 -4.90 115.26 114.34 2gjx n ASN 468 Ca -0.17 -1.59 -0.18 0.00 -0.02 0.00 0.00 54.58 52.62 2gjx n ASN 468 Cb 1.04 -0.07 -0.08 0.00 -2.36 0.00 0.00 39.78 38.31 2gjx n ASN 468 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2gjx h LEU 469 N 0.00 -0.97 -0.12 -4.53 5.85 -1.53 -3.06 115.31 110.95 2gjx h LEU 469 Ca 0.00 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2gjx h LEU 469 Cb 0.93 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 2gjx h LEU 469 CO 0.00 -0.61 -0.22 0.58 -0.34 0.00 0.00 178.44 177.84 2gjx h VAL 470 N -1.29 0.45 -0.09 1.05 2.07 -1.88 -0.59 116.25 115.97 2gjx h VAL 470 Ca -0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2gjx h VAL 470 Cb 0.88 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2gjx h VAL 470 CO 0.19 0.00 -0.10 1.55 0.02 0.00 0.00 177.57 179.23 2gjx h PRO 471 N -0.29 0.14 0.00 1.57 0.13 -1.65 -1.89 132.00 130.02 2gjx h PRO 471 Ca 0.10 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 65.02 2gjx h PRO 471 Cb 0.43 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 2gjx h PRO 471 CO -0.29 0.25 -0.86 -0.09 -0.23 0.00 0.00 178.00 176.77 2gjx h ARG 472 N 0.14 0.09 0.33 0.86 2.43 -1.30 -3.34 114.38 113.58 2gjx h ARG 472 Ca 0.03 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2gjx h ARG 472 Cb 0.26 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2gjx h ARG 472 CO 0.01 0.89 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.14 2gjx h LEU 473 N 0.05 -0.38 -9.49 3.80 3.38 -0.63 -3.43 115.31 108.61 2gjx h LEU 473 Ca -0.03 -0.08 -0.66 0.00 0.09 0.00 0.00 57.88 57.21 2gjx h LEU 473 Cb 1.50 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 42.24 2gjx h LEU 473 CO 0.12 0.09 -0.60 0.26 0.09 0.00 0.00 178.44 178.40 2gjx s TRP 474 N -3.30 3.21 -0.44 1.13 0.52 -0.76 -0.37 118.94 118.93 2gjx s TRP 474 Ca -0.09 0.16 0.03 0.00 0.02 0.00 0.00 56.10 56.22 2gjx s TRP 474 Cb 0.01 -1.71 0.60 0.00 -1.15 0.00 0.00 33.47 31.21 2gjx s TRP 474 CO 0.29 0.52 1.87 -0.35 0.02 0.00 0.00 176.95 179.30 2gjx n PRO 475 N 1.25 2.20 -0.06 4.98 -0.04 -1.26 -2.18 135.00 139.88 2gjx n PRO 475 Ca -0.14 -2.80 -0.15 0.00 -0.04 0.00 0.00 63.50 60.37 2gjx n PRO 475 Cb 0.53 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.83 2gjx n PRO 475 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gjx h ARG 476 N 1.03 0.71 0.00 0.54 3.08 -1.68 -2.75 114.38 115.30 2gjx h ARG 476 Ca 0.59 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2gjx h ARG 476 Cb 2.52 0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.64 2gjx h ARG 476 CO 1.07 1.09 0.00 0.00 -1.07 0.00 0.00 179.97 181.06 2gjx h ALA 477 N 0.61 1.00 0.00 0.04 0.00 -1.01 -1.57 119.26 118.33 2gjx h ALA 477 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2gjx h ALA 477 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2gjx h ALA 477 CO 0.10 0.00 -0.29 0.78 0.00 0.00 0.00 179.25 179.85 2gjx h GLY 478 N 0.78 0.00 1.15 0.00 0.00 -1.73 -1.27 103.07 102.00 2gjx h GLY 478 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2gjx h GLY 478 CO 0.00 0.00 0.04 0.00 0.00 0.00 0.00 176.54 176.58 2gjx h ALA 479 N 1.71 0.92 -0.25 3.60 0.00 -1.38 -2.26 119.26 121.60 2gjx h ALA 479 Ca -0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 2gjx h ALA 479 Cb 0.51 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2gjx h ALA 479 CO 0.04 0.65 -0.51 0.28 0.00 0.00 0.00 179.25 179.71 2gjx h VAL 480 N 0.95 1.30 -0.26 0.00 2.07 -1.55 -3.07 116.25 115.69 2gjx h VAL 480 Ca 0.18 -1.72 0.04 0.00 0.82 0.00 0.00 66.70 66.02 2gjx h VAL 480 Cb 0.49 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 2gjx h VAL 480 CO 0.02 0.55 0.04 0.00 0.02 0.00 0.00 177.57 178.21 2gjx h ALA 481 N 0.87 0.27 -0.07 1.67 0.00 -0.91 -2.69 119.26 118.39 2gjx h ALA 481 Ca 0.02 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2gjx h ALA 481 Cb 1.08 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2gjx h ALA 481 CO 0.11 -0.37 -0.53 1.49 0.00 0.00 0.00 179.25 179.95 2gjx h GLU 482 N 0.14 0.20 0.00 0.00 4.81 -1.46 -2.85 114.58 115.42 2gjx h GLU 482 Ca 0.12 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2gjx h GLU 482 Cb 0.13 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2gjx h GLU 482 CO -0.17 0.68 -0.28 -0.09 -0.73 0.00 0.00 179.01 178.43 2gjx h ARG 483 N 0.16 0.00 0.00 1.92 9.65 -1.40 0.18 114.38 124.88 2gjx h ARG 483 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2gjx h ARG 483 Cb 0.98 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 2gjx h ARG 483 CO 0.08 0.28 -0.96 1.28 2.80 0.00 0.00 179.97 183.44 2gjx n LEU 484 N -3.60 0.63 -0.06 3.80 4.77 -1.03 -4.58 117.00 116.92 2gjx n LEU 484 Ca -0.01 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 2gjx n LEU 484 Cb 0.41 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 2gjx n LEU 484 CO 0.34 0.01 -0.76 1.87 -1.33 0.00 0.00 177.39 177.52 2gjx n TRP 485 N -2.05 0.00 -0.78 -1.77 -0.00 -1.09 -1.75 117.44 110.01 2gjx n TRP 485 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.23 2gjx n TRP 485 Cb 0.45 -0.45 0.22 0.00 -0.00 0.00 0.00 31.31 31.52 2gjx n TRP 485 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2gjx s SER 486 N -6.24 1.69 0.76 5.87 0.01 0.03 -1.51 113.70 114.32 2gjx s SER 486 Ca -0.20 1.46 -0.13 0.00 1.31 0.00 0.00 55.95 58.38 2gjx s SER 486 Cb 0.06 -2.18 0.06 0.00 0.21 0.00 0.00 66.02 64.16 2gjx s SER 486 CO 0.27 -3.75 1.15 0.21 0.41 0.00 0.00 173.24 171.53 2gjx s ASN 487 N -2.85 4.21 0.36 2.44 3.84 -1.26 -4.65 114.94 117.02 2gjx s ASN 487 Ca 0.67 2.13 0.03 0.00 0.21 0.00 0.00 52.86 55.90 2gjx s ASN 487 Cb -0.23 -2.56 0.66 0.00 -0.55 0.00 0.00 41.25 38.57 2gjx s ASN 487 CO 0.62 -2.24 1.98 0.50 -2.79 0.00 0.00 177.10 175.17 2gjx h LYS 488 N -0.72 0.72 0.00 0.43 3.11 -1.94 -2.41 116.57 115.77 2gjx h LYS 488 Ca -0.46 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 2gjx h LYS 488 Cb 1.26 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 2gjx h LYS 488 CO 0.49 0.53 0.00 1.28 -2.81 0.00 0.00 179.45 178.94 2gjx n LEU 489 N -4.41 0.54 -4.56 5.20 4.77 -1.26 -4.54 117.00 112.75 2gjx n LEU 489 Ca 0.05 0.59 -0.39 0.00 -0.03 0.00 0.00 56.01 56.23 2gjx n LEU 489 Cb 0.09 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 2gjx n LEU 489 CO 0.37 -0.32 1.38 -0.89 -1.33 0.00 0.00 177.39 176.60 2gjx s THR 490 N -3.16 3.73 0.00 -5.08 2.01 -0.91 -4.61 115.64 107.62 2gjx s THR 490 Ca 0.08 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2gjx s THR 490 Cb 0.12 -4.75 0.00 0.00 0.01 0.00 0.00 72.50 67.88 2gjx s THR 490 CO 0.46 -1.67 0.64 -1.54 -0.69 0.00 0.00 174.62 171.83 2gjx n SER 491 N 10.17 0.00 -4.64 3.53 3.41 -1.26 -4.89 113.62 119.94 2gjx n SER 491 Ca 0.23 -1.36 -0.43 0.00 -0.26 0.00 0.00 58.87 57.05 2gjx n SER 491 Cb 0.50 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 2gjx n SER 491 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gjx s ASP 492 N -0.36 6.77 0.22 4.04 2.15 -1.26 -4.93 116.67 123.30 2gjx s ASP 492 Ca 0.00 1.36 -0.09 0.00 0.43 0.00 0.00 52.55 54.26 2gjx s ASP 492 Cb 0.00 -2.54 0.19 0.00 -0.30 0.00 0.00 42.92 40.27 2gjx s ASP 492 CO 0.00 -0.97 1.89 -0.07 -0.17 0.00 0.00 175.17 175.85 2gjx h LEU 493 N 10.48 0.98 0.01 -1.34 4.07 -1.99 -1.05 115.31 126.47 2gjx h LEU 493 Ca -0.26 -0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.66 2gjx h LEU 493 Cb 1.10 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2gjx h LEU 493 CO 1.01 0.72 -0.01 0.74 -1.08 0.00 0.00 178.44 179.83 2gjx h THR 494 N 1.14 1.18 -0.21 0.22 2.02 -2.00 -0.92 112.91 114.34 2gjx h THR 494 Ca 0.31 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.92 2gjx h THR 494 Cb -0.11 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2gjx h THR 494 CO -0.06 0.15 0.15 0.15 0.37 0.00 0.00 175.52 176.28 2gjx h PHE 495 N -0.28 0.13 -0.04 3.16 3.04 -1.94 -2.22 116.94 118.80 2gjx h PHE 495 Ca -0.00 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 2gjx h PHE 495 Cb 0.27 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.73 2gjx h PHE 495 CO 0.01 0.08 -0.14 0.00 -2.02 0.00 0.00 178.31 176.24 2gjx h ALA 496 N 1.88 0.06 -0.51 2.41 0.00 -0.92 -3.20 119.26 118.99 2gjx h ALA 496 Ca 0.09 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.69 2gjx h ALA 496 Cb 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2gjx h ALA 496 CO -0.01 -0.01 0.21 -0.92 0.00 0.00 0.00 179.25 178.52 2gjx h TYR 497 N -0.41 0.37 -0.88 0.00 3.20 -0.62 0.15 116.97 118.77 2gjx h TYR 497 Ca -0.01 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.92 2gjx h TYR 497 Cb 0.79 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 2gjx h TYR 497 CO 0.14 0.14 0.57 0.93 -1.64 0.00 0.00 178.16 178.30 2gjx h GLU 498 N 0.41 1.08 0.11 1.82 5.08 -1.51 0.07 114.58 121.64 2gjx h GLU 498 Ca 0.24 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 58.26 2gjx h GLU 498 Cb 0.23 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2gjx h GLU 498 CO -0.22 0.71 -1.33 0.00 -1.00 0.00 0.00 179.01 177.17 2gjx h ARG 499 N 1.11 0.24 -0.17 2.33 3.08 -1.46 -2.86 114.38 116.65 2gjx h ARG 499 Ca 0.35 -0.41 -0.17 0.00 0.07 0.00 0.00 59.98 59.82 2gjx h ARG 499 Cb -0.01 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2gjx h ARG 499 CO -0.11 1.15 -0.60 1.25 -1.07 0.00 0.00 179.97 180.59 2gjx h LEU 500 N 0.06 0.65 -0.58 3.04 5.85 -0.52 0.11 115.31 123.92 2gjx h LEU 500 Ca -0.16 -0.37 -0.16 0.00 0.84 0.00 0.00 57.88 58.03 2gjx h LEU 500 Cb 1.97 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 2gjx h LEU 500 CO 0.18 1.10 -0.62 0.77 -0.34 0.00 0.00 178.44 179.53 2gjx h SER 501 N 0.43 0.36 0.15 1.25 4.64 -1.09 0.17 113.55 119.46 2gjx h SER 501 Ca -0.00 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 60.97 2gjx h SER 501 Cb 1.17 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2gjx h SER 501 CO 0.11 0.89 -0.48 -0.74 -0.87 0.00 0.00 176.83 175.75 2gjx h HIS 502 N 0.23 0.46 0.00 4.77 -0.00 -1.38 -2.39 115.15 116.84 2gjx h HIS 502 Ca -0.01 -0.15 -0.10 0.00 -0.00 0.00 0.00 60.37 60.11 2gjx h HIS 502 Cb 1.14 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.45 2gjx h HIS 502 CO 0.03 0.79 -0.50 0.35 -0.00 0.00 0.00 177.93 178.60 2gjx h PHE 503 N 0.30 0.00 -0.28 5.26 3.04 -0.46 -2.73 116.94 122.07 2gjx h PHE 503 Ca 0.02 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.84 2gjx h PHE 503 Cb 0.96 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.46 2gjx h PHE 503 CO 0.03 0.50 -0.31 -0.09 -2.02 0.00 0.00 178.31 176.42 2gjx h ARG 504 N 0.00 0.71 -0.15 1.11 1.12 -0.34 -1.37 114.38 115.46 2gjx h ARG 504 Ca -0.00 -0.38 -0.08 0.00 -1.11 0.00 0.00 59.98 58.40 2gjx h ARG 504 Cb 1.09 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.05 2gjx h ARG 504 CO 0.06 1.00 -0.26 0.00 -3.11 0.00 0.00 179.97 177.66 2gjx h GLU 506 N 0.25 0.70 -0.77 0.00 4.57 -1.31 -2.51 114.58 115.51 2gjx h GLU 506 Ca 0.04 -0.32 -0.05 0.00 -1.18 0.00 0.00 59.36 57.85 2gjx h GLU 506 Cb 0.60 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 2gjx h GLU 506 CO 0.04 0.93 0.29 -0.07 -1.18 0.00 0.00 179.01 179.02 2gjx h LEU 507 N 0.59 1.07 -0.70 1.64 3.38 -0.89 -2.18 115.31 118.21 2gjx h LEU 507 Ca 0.07 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2gjx h LEU 507 Cb 0.84 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2gjx h LEU 507 CO 0.07 0.96 0.20 -0.07 0.09 0.00 0.00 178.44 179.69 2gjx h LEU 508 N 1.12 1.03 -1.69 1.67 4.07 -1.35 0.14 115.31 120.30 2gjx h LEU 508 Ca 0.25 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 2gjx h LEU 508 Cb 0.23 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 2gjx h LEU 508 CO -0.02 0.98 -0.14 -0.09 -1.08 0.00 0.00 178.44 178.09 2gjx h ARG 509 N 1.03 0.02 -0.00 1.13 2.43 -1.17 -0.24 114.38 117.58 2gjx h ARG 509 Ca 0.22 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2gjx h ARG 509 Cb 0.32 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2gjx h ARG 509 CO -0.00 0.16 -0.06 0.54 -1.51 0.00 0.00 179.97 179.10 2gjx n ARG 510 N -4.36 0.96 -0.06 0.20 1.74 -0.85 -4.90 116.66 109.39 2gjx n ARG 510 Ca -0.02 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 2gjx n ARG 510 Cb 0.21 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 2gjx n ARG 510 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gjx n GLY 511 N 1.19 0.75 3.69 -0.13 0.00 -0.10 -5.07 105.19 105.52 2gjx n GLY 511 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2gjx n GLY 511 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gjx s VAL 512 N -2.06 4.85 -1.13 1.61 1.01 0.45 -4.94 120.40 120.18 2gjx s VAL 512 Ca 0.00 1.89 -0.09 0.00 0.00 0.00 0.00 61.98 63.78 2gjx s VAL 512 Cb 0.00 -4.25 -0.14 0.00 0.00 0.00 0.00 36.38 31.99 2gjx s VAL 512 CO 0.00 0.07 3.16 1.67 0.00 0.00 0.00 175.10 180.00 2gjx n GLN 513 N 4.70 3.21 -2.72 2.72 7.27 -1.26 -3.66 117.38 127.63 2gjx n GLN 513 Ca 0.06 -1.86 -0.41 0.00 0.07 0.00 0.00 57.00 54.86 2gjx n GLN 513 Cb 0.49 -2.56 -0.04 0.00 2.41 0.00 0.00 30.24 30.54 2gjx n GLN 513 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2gjx s ALA 514 N 1.76 3.25 0.66 1.69 0.00 -1.26 -2.79 121.76 125.07 2gjx s ALA 514 Ca 0.69 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 53.10 2gjx s ALA 514 Cb 0.22 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 2gjx s ALA 514 CO -0.04 -0.02 1.06 1.14 0.00 0.00 0.00 175.76 177.90 2gjx s GLN 515 N -0.06 3.04 0.70 0.00 -2.07 -0.93 -4.89 119.66 115.44 2gjx s GLN 515 Ca 0.47 1.09 -0.15 0.00 -1.82 0.00 0.00 55.36 54.95 2gjx s GLN 515 Cb -0.24 -2.00 0.02 0.00 -1.09 0.00 0.00 33.01 29.71 2gjx s GLN 515 CO 0.30 -1.03 1.15 -1.25 -1.32 0.00 0.00 175.29 173.15 2gjx s PRO 516 N -4.60 2.47 0.01 9.60 0.04 -1.26 -4.28 135.00 136.98 2gjx s PRO 516 Ca 0.61 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 2gjx s PRO 516 Cb -0.15 -1.89 -0.33 0.00 0.04 0.00 0.00 34.50 32.17 2gjx s PRO 516 CO 0.47 -1.54 0.91 -0.07 0.04 0.00 0.00 177.00 176.81 2gjx h LEU 517 N -0.15 0.69 0.00 -3.56 4.07 -1.96 -3.48 115.31 110.91 2gjx h LEU 517 Ca -0.47 -0.82 0.00 0.00 0.08 0.00 0.00 57.88 56.67 2gjx h LEU 517 Cb 1.27 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.78 2gjx h LEU 517 CO 0.52 1.66 0.00 -3.20 -1.08 0.00 0.00 178.44 176.34 2gjx n ASN 518 N -3.63 0.00 -4.77 -0.43 5.15 -1.26 -4.67 115.26 105.64 2gjx n ASN 518 Ca -0.18 -0.14 -0.36 0.00 -0.60 0.00 0.00 54.58 53.30 2gjx n ASN 518 Cb 1.08 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 40.33 2gjx n ASN 518 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2gjx s VAL 519 N -2.65 3.17 -3.77 3.44 0.11 -1.26 -4.87 120.40 114.57 2gjx s VAL 519 Ca 0.00 0.82 0.00 0.00 -2.93 0.00 0.00 61.98 59.87 2gjx s VAL 519 Cb 0.00 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 2gjx s VAL 519 CO 0.00 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 2gjx n GLY 520 N 0.30 0.09 3.63 6.54 0.00 -1.26 -5.16 105.19 109.33 2gjx n GLY 520 Ca 0.09 -1.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.00 2gjx n GLY 520 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gjx s PHE 521 N -4.00 -0.08 -0.04 1.61 -0.71 -1.26 -5.15 117.98 108.35 2gjx s PHE 521 Ca 0.00 -0.03 0.06 0.00 -1.04 0.00 0.00 56.93 55.92 2gjx s PHE 521 Cb 0.00 0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 42.35 2gjx s PHE 521 CO 0.00 -0.34 -0.23 0.00 -1.34 0.00 0.00 175.22 173.32 2gjx h GLU 523 N 5.92 0.00 -3.92 0.00 4.39 -2.01 -3.24 114.58 115.72 2gjx h GLU 523 Ca -0.35 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.77 2gjx h GLU 523 Cb 1.16 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.42 2gjx h GLU 523 CO 0.47 0.00 -0.77 -1.14 -1.16 0.00 0.00 179.01 176.42 2gjx s GLN 524 N -4.80 1.07 1.07 2.33 0.74 -1.26 -5.14 119.66 113.67 2gjx s GLN 524 Ca -0.05 -0.93 -0.18 0.00 0.05 0.00 0.00 55.36 54.25 2gjx s GLN 524 Cb 0.23 -2.32 0.26 0.00 1.10 0.00 0.00 33.01 32.27 2gjx s GLN 524 CO 0.78 -0.76 1.11 0.39 -0.55 0.00 0.00 175.29 176.26 2gjx n GLU 525 N 4.80 -2.37 -3.73 1.67 -0.58 -1.23 -4.78 120.64 114.42 2gjx n GLU 525 Ca -0.07 -1.75 -0.37 0.00 -0.42 0.00 0.00 57.16 54.55 2gjx n GLU 525 Cb 0.44 -1.45 -0.06 0.00 -0.57 0.00 0.00 31.44 29.80 2gjx n GLU 525 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2gjx s PHE 526 N -3.17 3.63 -0.04 -0.32 5.36 -1.26 -4.98 117.98 117.19 2gjx s PHE 526 Ca 0.68 0.69 -0.07 0.00 -0.96 0.00 0.00 56.93 57.26 2gjx s PHE 526 Cb -0.05 -2.09 0.01 0.00 -0.34 0.00 0.00 43.02 40.56 2gjx s PHE 526 CO 0.51 0.67 0.18 -1.21 -1.46 0.00 0.00 175.22 173.90 2gjx s GLU 527 N -0.92 0.34 0.00 10.12 2.02 -1.26 -5.20 118.70 123.80 2gjx s GLU 527 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.17 2gjx s GLU 527 Cb -0.14 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.25 2gjx s GLU 527 CO 0.07 -0.07 0.00 1.04 0.02 0.00 0.00 175.26 176.32