#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4g s SER 3 N 0.00 2.34 0.54 4.31 1.04 -1.26 -4.75 113.70 115.92 2q4g s SER 3 Ca 0.00 1.71 0.33 0.00 0.48 0.00 0.00 55.95 58.47 2q4g s SER 3 Cb 0.00 -2.34 1.34 0.00 0.10 0.00 0.00 66.02 65.11 2q4g s SER 3 CO 0.00 -3.39 1.98 0.03 0.98 0.00 0.00 173.24 172.84 2q4g h ARG 4 N -2.06 0.00 -0.28 4.02 2.47 -1.97 -0.49 114.38 116.06 2q4g h ARG 4 Ca -0.52 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.02 2q4g h ARG 4 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 2q4g h ARG 4 CO 0.49 0.02 -0.51 0.00 0.56 0.00 0.00 179.97 180.53 2q4g h ALA 5 N 1.98 0.44 0.06 0.04 0.00 -1.81 0.21 119.26 120.19 2q4g h ALA 5 Ca -0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 54.91 54.17 2q4g h ALA 5 Cb 0.53 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2q4g h ALA 5 CO 0.00 0.63 -1.06 0.87 0.00 0.00 0.00 179.25 179.69 2q4g h LYS 6 N 0.62 0.23 -0.12 0.00 1.79 -1.81 -2.95 116.57 114.34 2q4g h LYS 6 Ca 0.02 -0.33 -0.07 0.00 -2.18 0.00 0.00 60.65 58.09 2q4g h LYS 6 Cb 1.11 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 2q4g h LYS 6 CO 0.11 1.10 -0.24 -0.22 -1.08 0.00 0.00 179.45 179.12 2q4g h LYS 7 N 0.10 0.21 -0.38 3.15 3.64 -0.99 -1.26 116.57 121.03 2q4g h LYS 7 Ca -0.08 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 2q4g h LYS 7 Cb 1.76 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.54 2q4g h LYS 7 CO 0.17 0.44 0.05 0.35 -2.27 0.00 0.00 179.45 178.19 2q4g h PHE 8 N 0.19 0.69 -0.57 1.91 3.57 -0.48 -1.01 116.94 121.25 2q4g h PHE 8 Ca 0.03 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 2q4g h PHE 8 Cb 0.54 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2q4g h PHE 8 CO 0.01 0.70 0.16 1.96 -2.23 0.00 0.00 178.31 178.91 2q4g h GLN 9 N 0.49 0.90 -0.58 1.11 4.20 -1.28 -0.61 115.11 119.33 2q4g h GLN 9 Ca 0.11 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2q4g h GLN 9 Cb 0.39 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2q4g h GLN 9 CO 0.01 0.82 0.31 -0.09 -0.67 0.00 0.00 178.83 179.22 2q4g h ARG 10 N 0.81 0.82 0.00 1.46 2.43 -1.01 -2.26 114.38 116.63 2q4g h ARG 10 Ca 0.18 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2q4g h ARG 10 Cb 0.31 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2q4g h ARG 10 CO -0.00 0.63 -1.11 1.96 -1.51 0.00 0.00 179.97 179.94 2q4g h GLN 11 N 0.79 0.00 0.00 0.20 4.20 -1.12 -3.42 115.11 115.77 2q4g h GLN 11 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2q4g h GLN 11 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2q4g h GLN 11 CO -0.03 0.14 0.00 0.72 -0.67 0.00 0.00 178.83 178.99 2q4g n HIS 12 N -2.80 0.00 -3.89 2.96 8.25 -0.24 -4.64 115.22 114.85 2q4g n HIS 12 Ca -0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.07 2q4g n HIS 12 Cb 0.68 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.68 2q4g n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2q4g s MET 13 N -0.67 3.90 -0.41 -0.41 -1.94 -0.85 0.71 119.30 119.64 2q4g s MET 13 Ca 0.00 -0.37 0.09 0.00 -1.71 0.00 0.00 55.69 53.71 2q4g s MET 13 Cb 0.00 -3.30 0.33 0.00 2.01 0.00 0.00 34.83 33.86 2q4g s MET 13 CO 0.00 0.11 0.84 -3.47 -0.01 0.00 0.00 175.02 172.49 2q4g n ASP 14 N 4.06 -0.40 -0.06 3.03 2.03 -0.28 -4.86 116.55 120.07 2q4g n ASP 14 Ca -0.16 -3.22 -0.11 0.00 0.52 0.00 0.00 54.79 51.82 2q4g n ASP 14 Cb 0.52 0.30 -0.05 0.00 -0.72 0.00 0.00 41.12 41.16 2q4g n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2q4g h SER 15 N 3.13 -1.37 0.36 1.67 0.02 -1.71 -2.91 113.55 112.74 2q4g h SER 15 Ca 0.02 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2q4g h SER 15 Cb 1.01 0.58 0.00 0.00 0.14 0.00 0.00 62.40 64.13 2q4g h SER 15 CO 0.37 -0.40 0.00 0.47 -1.14 0.00 0.00 176.83 176.14 2q4g n ASP 16 N -5.42 0.49 -4.77 3.07 8.00 -1.26 -4.07 116.55 112.58 2q4g n ASP 16 Ca -0.02 0.67 -0.38 0.00 0.71 0.00 0.00 54.79 55.76 2q4g n ASP 16 Cb 0.36 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.64 2q4g n ASP 16 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2q4g s SER 17 N -3.91 7.36 0.98 -2.24 0.15 -1.10 -5.03 113.70 109.93 2q4g s SER 17 Ca 0.02 1.94 -0.12 0.00 0.70 0.00 0.00 55.95 58.49 2q4g s SER 17 Cb 0.07 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 61.91 2q4g s SER 17 CO 0.26 -0.05 0.76 -0.24 1.20 0.00 0.00 173.24 175.18 2q4g n SER 18 N 0.85 -1.04 0.07 5.45 2.88 -1.26 -4.85 113.62 115.72 2q4g n SER 18 Ca 0.01 0.26 -0.03 0.00 -1.33 0.00 0.00 58.87 57.78 2q4g n SER 18 Cb 0.48 -1.31 -0.01 0.00 -0.75 0.00 0.00 64.21 62.62 2q4g n SER 18 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2q4g h PRO 19 N -1.90 -0.17 -5.26 -1.46 0.11 -1.95 -3.40 132.00 117.96 2q4g h PRO 19 Ca -0.47 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2q4g h PRO 19 Cb 1.29 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 2q4g h PRO 19 CO 0.39 -0.12 0.13 -1.12 -0.21 0.00 0.00 178.00 177.08 2q4g s SER 20 N -2.98 3.78 0.64 -2.05 0.01 -1.26 -4.82 113.70 107.02 2q4g s SER 20 Ca -0.03 -0.56 -0.18 0.00 1.31 0.00 0.00 55.95 56.49 2q4g s SER 20 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2q4g s SER 20 CO 0.08 -4.22 1.24 -0.44 0.41 0.00 0.00 173.24 170.31 2q4g s SER 21 N 9.39 4.78 0.42 2.44 0.01 -1.26 -5.01 113.70 124.47 2q4g s SER 21 Ca 0.85 2.46 -0.18 0.00 1.31 0.00 0.00 55.95 60.39 2q4g s SER 21 Cb -0.08 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 2q4g s SER 21 CO 0.13 -1.87 0.89 -0.94 0.41 0.00 0.00 173.24 171.85 2q4g s SER 22 N -1.64 6.80 0.16 2.44 1.04 -1.26 -4.84 113.70 116.41 2q4g s SER 22 Ca 0.78 1.53 0.07 0.00 0.48 0.00 0.00 55.95 58.81 2q4g s SER 22 Cb -0.32 -2.48 0.38 0.00 0.10 0.00 0.00 66.02 63.70 2q4g s SER 22 CO 0.38 -0.37 1.08 -1.54 0.98 0.00 0.00 173.24 173.76 2q4g n SER 23 N -0.82 0.18 -0.60 7.02 3.41 -1.26 -0.15 113.62 121.41 2q4g n SER 23 Ca 0.06 0.45 0.06 0.00 -0.26 0.00 0.00 58.87 59.17 2q4g n SER 23 Cb 0.54 -0.43 0.12 0.00 -0.26 0.00 0.00 64.21 64.18 2q4g n SER 23 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2q4g n THR 24 N -1.69 0.59 0.19 6.66 -2.24 -1.26 -4.48 114.28 112.05 2q4g n THR 24 Ca -0.00 -0.79 -0.15 0.00 -2.27 0.00 0.00 64.05 60.84 2q4g n THR 24 Cb 0.23 0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 2q4g n THR 24 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2q4g h TYR 25 N 2.23 -0.41 -0.94 4.78 3.20 -0.91 -2.60 116.97 122.32 2q4g h TYR 25 Ca 0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 2q4g h TYR 25 Cb 0.64 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.99 2q4g h TYR 25 CO 0.14 -0.20 0.61 0.00 -1.64 0.00 0.00 178.16 177.08 2q4g h ASN 27 N 1.16 0.74 0.42 0.00 2.35 -1.81 -0.50 115.58 117.94 2q4g h ASN 27 Ca 0.38 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 2q4g h ASN 27 Cb 0.05 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.23 2q4g h ASN 27 CO -0.12 0.59 -0.20 -0.61 -1.65 0.00 0.00 177.43 175.43 2q4g h GLN 28 N 0.84 -0.54 -0.33 0.81 4.15 -0.65 -3.29 115.11 116.09 2q4g h GLN 28 Ca 0.22 0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.55 2q4g h GLN 28 Cb 0.00 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2q4g h GLN 28 CO -0.04 -0.27 -0.30 0.52 -1.93 0.00 0.00 178.83 176.80 2q4g h MET 29 N -1.06 0.71 -0.15 1.69 2.86 -0.48 -2.26 114.93 116.25 2q4g h MET 29 Ca -0.06 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 2q4g h MET 29 Cb 0.52 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2q4g h MET 29 CO 0.09 0.93 0.05 0.52 1.06 0.00 0.00 176.91 179.56 2q4g h MET 30 N 0.61 0.20 0.07 1.72 2.86 -1.25 -0.02 114.93 119.12 2q4g h MET 30 Ca 0.07 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2q4g h MET 30 Cb 0.82 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.44 2q4g h MET 30 CO 0.07 0.18 -0.04 0.00 1.06 0.00 0.00 176.91 178.18 2q4g h ARG 31 N 0.20 -0.10 -0.68 1.72 3.08 -1.58 -1.60 114.38 115.43 2q4g h ARG 31 Ca 0.05 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2q4g h ARG 31 Cb 0.06 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 2q4g h ARG 31 CO -0.00 0.47 0.45 0.00 -1.07 0.00 0.00 179.97 179.81 2q4g h ARG 32 N -0.85 0.81 -0.93 0.04 3.08 -1.21 -2.54 114.38 112.77 2q4g h ARG 32 Ca -0.01 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 2q4g h ARG 32 Cb 0.61 -0.18 -0.11 0.00 0.08 0.00 0.00 29.97 30.37 2q4g h ARG 32 CO 0.02 0.53 0.23 0.54 -1.07 0.00 0.00 179.97 180.22 2q4g n ARG 33 N -4.46 2.06 -3.94 0.04 5.12 -0.04 -4.91 116.66 110.54 2q4g n ARG 33 Ca 0.08 -1.55 -0.29 0.00 -1.93 0.00 0.00 57.85 54.16 2q4g n ARG 33 Cb 0.12 -1.69 0.01 0.00 -1.16 0.00 0.00 32.46 29.74 2q4g n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2q4g n ASN 34 N -0.13 -3.17 -0.39 0.55 3.02 -0.96 -4.75 115.26 109.43 2q4g n ASN 34 Ca 0.25 -0.86 0.09 0.00 -0.03 0.00 0.00 54.58 54.03 2q4g n ASN 34 Cb 0.98 -3.59 0.18 0.00 -0.61 0.00 0.00 39.78 36.75 2q4g n ASN 34 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2q4g n MET 35 N -4.51 1.82 -1.14 3.52 2.81 -0.60 -4.54 117.12 114.47 2q4g n MET 35 Ca -0.07 -2.72 0.02 0.00 -1.81 0.00 0.00 57.70 53.12 2q4g n MET 35 Cb 0.57 -1.62 0.01 0.00 -0.71 0.00 0.00 33.22 31.47 2q4g n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2q4g n THR 36 N -1.13 0.00 -3.67 2.03 -2.24 -1.22 -1.30 114.28 106.75 2q4g n THR 36 Ca 0.18 -0.63 -0.38 0.00 -2.27 0.00 0.00 64.05 60.95 2q4g n THR 36 Cb 0.74 0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 69.69 2q4g n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2q4g s GLN 37 N 0.00 2.65 0.00 -0.78 -0.21 -1.26 -4.56 119.66 115.49 2q4g s GLN 37 Ca 0.22 -2.43 0.00 0.00 0.02 0.00 0.00 55.36 53.16 2q4g s GLN 37 Cb 0.25 -3.82 0.00 0.00 1.00 0.00 0.00 33.01 30.44 2q4g s GLN 37 CO -0.11 -1.18 0.00 0.41 -2.12 0.00 0.00 175.29 172.29 2q4g n GLY 38 N 3.70 2.06 3.63 3.09 0.00 -1.26 -4.98 105.19 111.42 2q4g n GLY 38 Ca 0.07 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 2q4g n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q4g s ARG 39 N 0.00 0.47 0.71 1.61 1.81 -1.26 -5.04 118.95 117.25 2q4g s ARG 39 Ca 0.00 0.84 -0.15 0.00 -1.72 0.00 0.00 55.73 54.71 2q4g s ARG 39 Cb 0.00 0.13 0.03 0.00 -0.45 0.00 0.00 34.95 34.66 2q4g s ARG 39 CO 0.00 -0.10 1.16 0.00 -0.68 0.00 0.00 175.30 175.68 2q4g s LYS 41 N -4.03 4.34 0.31 0.00 2.20 -0.42 -4.95 119.74 117.19 2q4g s LYS 41 Ca 0.71 0.55 0.06 0.00 -0.36 0.00 0.00 55.97 56.93 2q4g s LYS 41 Cb -0.25 -3.42 0.52 0.00 -1.51 0.00 0.00 37.83 33.16 2q4g s LYS 41 CO 0.44 0.18 1.75 -1.00 -0.36 0.00 0.00 175.35 176.37 2q4g h PRO 42 N 6.56 0.30 -3.07 4.03 0.13 -1.93 -3.41 132.00 134.61 2q4g h PRO 42 Ca -0.42 -0.12 -0.12 0.00 -0.87 0.00 0.00 66.00 64.48 2q4g h PRO 42 Cb 1.19 -0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 2q4g h PRO 42 CO 0.74 0.58 -0.29 0.54 -0.23 0.00 0.00 178.00 179.35 2q4g s VAL 43 N -4.37 0.06 -0.07 1.56 0.11 -1.26 -0.63 120.40 115.81 2q4g s VAL 43 Ca -0.05 -0.49 -0.31 0.00 -2.93 0.00 0.00 61.98 58.20 2q4g s VAL 43 Cb 0.14 -0.60 0.08 0.00 -1.53 0.00 0.00 36.38 34.47 2q4g s VAL 43 CO 0.77 -0.27 0.73 0.21 -3.33 0.00 0.00 175.10 173.21 2q4g s ASN 44 N -1.32 -0.61 -0.15 3.54 2.47 0.84 -4.98 114.94 114.73 2q4g s ASN 44 Ca -0.14 0.67 0.01 0.00 0.42 0.00 0.00 52.86 53.82 2q4g s ASN 44 Cb -0.05 0.50 0.02 0.00 -1.45 0.00 0.00 41.25 40.27 2q4g s ASN 44 CO 0.04 -0.57 -0.16 -0.89 -3.72 0.00 0.00 177.10 171.80 2q4g s THR 45 N -1.18 1.68 -0.05 -5.21 2.01 -1.26 0.97 115.64 112.60 2q4g s THR 45 Ca -0.10 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 2q4g s THR 45 Cb -0.00 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 2q4g s THR 45 CO 0.09 0.48 0.13 -0.36 -0.69 0.00 0.00 174.62 174.26 2q4g s PHE 46 N 1.35 3.46 -0.15 4.92 0.08 0.13 -4.39 117.98 123.38 2q4g s PHE 46 Ca 0.03 0.35 0.02 0.00 0.12 0.00 0.00 56.93 57.45 2q4g s PHE 46 Cb -0.13 -1.83 0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2q4g s PHE 46 CO -0.09 0.63 -0.22 0.08 -0.10 0.00 0.00 175.22 175.52 2q4g s VAL 47 N -1.16 2.07 -1.12 -0.44 1.01 0.22 0.19 120.40 121.16 2q4g s VAL 47 Ca 0.21 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 2q4g s VAL 47 Cb -0.12 -1.83 0.27 0.00 0.00 0.00 0.00 36.38 34.70 2q4g s VAL 47 CO 0.12 0.55 1.24 1.41 0.00 0.00 0.00 175.10 178.41 2q4g n HIS 48 N 4.18 4.61 -3.64 5.22 -0.00 0.26 -1.12 115.22 124.73 2q4g n HIS 48 Ca -0.20 -3.58 -0.12 0.00 -0.00 0.00 0.00 57.72 53.82 2q4g n HIS 48 Cb 0.51 -1.67 -0.05 0.00 -0.00 0.00 0.00 29.99 28.78 2q4g n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2q4g s GLU 49 N -1.32 1.01 0.30 -0.41 0.41 -1.26 -4.36 118.70 113.07 2q4g s GLU 49 Ca 0.32 -0.52 -0.30 0.00 -0.41 0.00 0.00 54.97 54.07 2q4g s GLU 49 Cb -0.06 0.45 -0.12 0.00 -1.78 0.00 0.00 34.13 32.62 2q4g s GLU 49 CO -0.03 -0.37 1.58 -2.30 -0.49 0.00 0.00 175.26 173.64 2q4g n PRO 50 N 0.13 2.68 -0.18 0.39 -0.02 -1.26 -4.15 135.00 132.60 2q4g n PRO 50 Ca -0.17 0.95 -0.01 0.00 -2.02 0.00 0.00 63.50 62.25 2q4g n PRO 50 Cb 0.62 -2.72 0.08 0.00 -0.02 0.00 0.00 33.50 31.45 2q4g n PRO 50 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2q4g h LEU 51 N 4.54 -0.24 -1.52 2.45 5.85 -1.99 -0.93 115.31 123.47 2q4g h LEU 51 Ca -0.47 0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.51 2q4g h LEU 51 Cb 1.23 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.45 2q4g h LEU 51 CO 0.77 -0.09 0.49 1.62 -0.34 0.00 0.00 178.44 180.89 2q4g h VAL 52 N 0.12 0.85 -0.08 1.05 3.04 -1.98 0.24 116.25 119.47 2q4g h VAL 52 Ca 0.28 -0.17 -0.16 0.00 -1.01 0.00 0.00 66.70 65.64 2q4g h VAL 52 Cb 0.44 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 2q4g h VAL 52 CO -0.46 0.09 -0.65 0.44 -1.01 0.00 0.00 177.57 175.98 2q4g h ASP 53 N 0.50 0.38 0.89 3.17 3.32 -1.55 -0.93 116.42 122.20 2q4g h ASP 53 Ca 0.36 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 2q4g h ASP 53 Cb 0.70 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 2q4g h ASP 53 CO -0.12 0.93 -0.55 0.58 -1.72 0.00 0.00 179.24 178.35 2q4g h VAL 54 N 0.24 1.17 -0.01 -1.35 2.07 -0.58 -3.04 116.25 114.74 2q4g h VAL 54 Ca -0.01 -2.07 -0.17 0.00 0.82 0.00 0.00 66.70 65.27 2q4g h VAL 54 Cb 1.19 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 2q4g h VAL 54 CO 0.11 0.54 -0.76 1.56 0.02 0.00 0.00 177.57 179.03 2q4g h GLN 55 N 0.00 0.08 0.00 1.57 4.20 -0.27 -3.12 115.11 117.57 2q4g h GLN 55 Ca -0.01 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2q4g h GLN 55 Cb 1.15 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.94 2q4g h GLN 55 CO 0.07 0.80 -0.16 -0.91 -0.67 0.00 0.00 178.83 177.96 2q4g h ASN 56 N 0.05 0.00 -0.42 1.46 2.35 -1.06 -2.43 115.58 115.53 2q4g h ASN 56 Ca -0.02 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.85 2q4g h ASN 56 Cb 1.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.70 2q4g h ASN 56 CO 0.11 0.16 0.33 0.58 -1.65 0.00 0.00 177.43 176.96 2q4g h VAL 57 N 0.00 0.66 0.00 2.81 2.07 -1.55 0.45 116.25 120.70 2q4g h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2q4g h VAL 57 Cb 0.49 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2q4g h VAL 57 CO 0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.61 2q4g n PHE 59 N -2.03 0.23 -0.53 0.00 3.72 0.16 -5.00 117.46 114.01 2q4g n PHE 59 Ca -0.00 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 2q4g n PHE 59 Cb 0.06 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 2q4g n PHE 59 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2q4g n GLN 60 N 0.16 3.60 -2.18 -1.08 6.02 0.52 -5.00 117.38 119.43 2q4g n GLN 60 Ca 0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.63 2q4g n GLN 60 Cb 0.32 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.56 2q4g n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2q4g s GLU 61 N 3.39 4.15 0.23 -1.09 2.12 -1.18 -4.88 118.70 121.44 2q4g s GLU 61 Ca 0.00 1.92 -0.30 0.00 0.36 0.00 0.00 54.97 56.95 2q4g s GLU 61 Cb 0.00 -3.91 -0.09 0.00 0.26 0.00 0.00 34.13 30.40 2q4g s GLU 61 CO 0.00 -0.85 1.08 0.21 -0.54 0.00 0.00 175.26 175.16 2q4g s LYS 62 N 3.91 4.64 0.23 4.30 2.20 -1.26 0.05 119.74 133.81 2q4g s LYS 62 Ca 0.66 1.73 -0.02 0.00 -0.36 0.00 0.00 55.97 57.99 2q4g s LYS 62 Cb -0.28 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2q4g s LYS 62 CO 0.24 0.18 0.22 0.14 -0.36 0.00 0.00 175.35 175.77 2q4g s VAL 63 N -0.72 0.00 0.05 4.02 -7.23 0.39 -4.86 120.40 112.06 2q4g s VAL 63 Ca 0.46 -1.89 -0.24 0.00 -1.81 0.00 0.00 61.98 58.50 2q4g s VAL 63 Cb -0.30 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.12 2q4g s VAL 63 CO 0.37 0.00 0.74 -0.89 -0.31 0.00 0.00 175.10 175.02 2q4g s THR 64 N -3.97 4.72 0.50 5.32 2.01 -1.26 -3.16 115.64 119.80 2q4g s THR 64 Ca 0.36 1.58 -0.19 0.00 0.31 0.00 0.00 61.69 63.76 2q4g s THR 64 Cb 0.05 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.39 2q4g s THR 64 CO 0.14 0.39 1.03 0.00 -0.69 0.00 0.00 174.62 175.49 2q4g h LYS 66 N 1.35 0.00 -0.69 0.00 3.64 -1.91 0.20 116.57 119.16 2q4g h LYS 66 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2q4g h LYS 66 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2q4g h LYS 66 CO 0.59 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 178.04 2q4g n ASN 67 N -3.82 4.41 0.00 4.20 6.94 -1.26 -4.93 115.26 120.79 2q4g n ASN 67 Ca 0.10 -2.66 0.00 0.00 -0.02 0.00 0.00 54.58 52.01 2q4g n ASN 67 Cb 0.74 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 2q4g n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2q4g n GLY 68 N 0.48 2.73 3.72 4.83 0.00 0.71 -5.02 105.19 112.64 2q4g n GLY 68 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 2q4g n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q4g s GLN 69 N -0.05 2.23 0.08 1.61 -1.52 -1.26 -4.64 119.66 116.10 2q4g s GLN 69 Ca 0.00 1.97 0.18 0.00 -1.95 0.00 0.00 55.36 55.56 2q4g s GLN 69 Cb 0.00 -1.82 -0.12 0.00 -0.22 0.00 0.00 33.01 30.85 2q4g s GLN 69 CO 0.00 -1.82 0.83 0.41 -0.25 0.00 0.00 175.29 174.45 2q4g n GLY 70 N 0.78 -1.24 2.02 3.09 0.00 -1.26 -0.61 105.19 107.97 2q4g n GLY 70 Ca 0.15 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2q4g n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2q4g n ASN 71 N -2.81 4.50 -4.69 1.61 6.94 -1.26 -4.22 115.26 115.33 2q4g n ASN 71 Ca -0.08 -2.33 -0.26 0.00 -0.02 0.00 0.00 54.58 51.89 2q4g n ASN 71 Cb 0.78 -1.19 -0.07 0.00 -2.36 0.00 0.00 39.78 36.93 2q4g n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2q4g s TYR 73 N -1.82 0.14 -0.11 0.00 2.02 0.50 -0.46 117.35 117.61 2q4g s TYR 73 Ca 0.29 0.05 -0.15 0.00 -0.37 0.00 0.00 57.07 56.89 2q4g s TYR 73 Cb -0.09 -0.24 -0.05 0.00 -0.40 0.00 0.00 41.96 41.18 2q4g s TYR 73 CO 0.20 -0.08 0.36 0.21 -1.57 0.00 0.00 175.55 174.67 2q4g s LYS 74 N 0.74 4.16 0.49 -0.62 2.20 0.11 -1.67 119.74 125.14 2q4g s LYS 74 Ca -0.07 0.24 -0.21 0.00 -0.36 0.00 0.00 55.97 55.57 2q4g s LYS 74 Cb -0.10 -3.37 -0.07 0.00 -1.51 0.00 0.00 37.83 32.78 2q4g s LYS 74 CO -0.02 0.35 1.11 -1.54 -0.36 0.00 0.00 175.35 174.89 2q4g s SER 75 N 0.09 6.11 0.18 1.43 1.04 -0.22 -3.10 113.70 119.22 2q4g s SER 75 Ca 0.20 2.14 -0.14 0.00 0.48 0.00 0.00 55.95 58.63 2q4g s SER 75 Cb -0.14 -2.58 0.16 0.00 0.10 0.00 0.00 66.02 63.56 2q4g s SER 75 CO 0.07 -0.95 1.70 0.78 0.98 0.00 0.00 173.24 175.82 2q4g h ASN 76 N 1.67 -0.14 -1.70 7.02 2.35 -1.94 -3.45 115.58 119.40 2q4g h ASN 76 Ca -0.50 0.10 -0.60 0.00 -0.55 0.00 0.00 56.30 54.76 2q4g h ASN 76 Cb 1.24 0.17 -0.11 0.00 0.05 0.00 0.00 38.32 39.67 2q4g h ASN 76 CO 0.59 -0.04 -0.57 -0.55 -1.65 0.00 0.00 177.43 175.21 2q4g s SER 77 N -5.27 4.12 0.65 5.81 0.15 -1.26 -5.12 113.70 112.79 2q4g s SER 77 Ca -0.13 -1.19 -0.13 0.00 0.70 0.00 0.00 55.95 55.20 2q4g s SER 77 Cb 0.15 -0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 2q4g s SER 77 CO 0.72 -0.43 1.05 -0.94 1.20 0.00 0.00 173.24 174.84 2q4g s SER 78 N -3.78 5.60 0.34 5.45 1.04 -1.26 -4.61 113.70 116.49 2q4g s SER 78 Ca 0.37 1.67 0.04 0.00 0.48 0.00 0.00 55.95 58.51 2q4g s SER 78 Cb 0.06 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 2q4g s SER 78 CO 0.20 -1.29 0.15 0.23 0.98 0.00 0.00 173.24 173.51 2q4g n MET 79 N -2.69 0.56 -3.31 4.02 2.81 0.94 -4.88 117.12 114.57 2q4g n MET 79 Ca 0.08 -2.96 -0.41 0.00 -1.81 0.00 0.00 57.70 52.60 2q4g n MET 79 Cb 0.53 1.79 -0.08 0.00 -0.71 0.00 0.00 33.22 34.75 2q4g n MET 79 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2q4g s HIS 80 N -2.94 3.21 0.19 2.03 3.76 -1.26 -2.74 115.29 117.54 2q4g s HIS 80 Ca 0.22 0.25 0.05 0.00 -0.15 0.00 0.00 55.06 55.42 2q4g s HIS 80 Cb 0.01 -2.77 -0.05 0.00 1.11 0.00 0.00 32.58 30.89 2q4g s HIS 80 CO 0.15 -0.41 -0.08 0.96 -0.85 0.00 0.00 174.74 174.51 2q4g s ILE 81 N 2.23 1.27 -0.27 0.60 -4.36 -0.84 0.90 121.20 120.72 2q4g s ILE 81 Ca 0.17 -2.09 -0.02 0.00 -0.26 0.00 0.00 60.65 58.46 2q4g s ILE 81 Cb -0.16 -2.07 0.09 0.00 1.25 0.00 0.00 42.46 41.57 2q4g s ILE 81 CO 0.12 -0.57 0.08 -0.89 0.24 0.00 0.00 174.94 173.91 2q4g s THR 82 N -3.27 0.72 0.29 8.37 2.01 0.50 -2.54 115.64 121.73 2q4g s THR 82 Ca 0.22 -1.11 -0.24 0.00 0.31 0.00 0.00 61.69 60.87 2q4g s THR 82 Cb 0.03 -1.44 -0.09 0.00 0.01 0.00 0.00 72.50 71.01 2q4g s THR 82 CO 0.05 -0.53 0.88 -1.81 -0.69 0.00 0.00 174.62 172.52 2q4g s ASP 83 N 1.72 7.27 -0.06 3.53 1.01 -0.89 0.21 116.67 129.47 2q4g s ASP 83 Ca 0.06 1.72 0.04 0.00 0.71 0.00 0.00 52.55 55.08 2q4g s ASP 83 Cb -0.17 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.23 2q4g s ASP 83 CO -0.21 -0.03 -0.16 0.00 0.21 0.00 0.00 175.17 174.99 2q4g s ARG 85 N 0.28 0.02 -0.09 0.00 3.52 -1.07 -0.11 118.95 121.50 2q4g s ARG 85 Ca -0.09 0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 55.59 2q4g s ARG 85 Cb -0.13 -0.27 -0.05 0.00 -1.56 0.00 0.00 34.95 32.94 2q4g s ARG 85 CO 0.03 -0.22 1.60 -1.17 -0.81 0.00 0.00 175.30 174.73 2q4g s LEU 86 N 1.56 4.26 1.21 -0.88 2.96 0.20 -1.33 118.68 126.65 2q4g s LEU 86 Ca -0.04 2.10 -0.15 0.00 -0.22 0.00 0.00 54.13 55.82 2q4g s LEU 86 Cb -0.12 -3.53 0.27 0.00 0.50 0.00 0.00 46.19 43.31 2q4g s LEU 86 CO -0.05 -0.94 0.78 0.35 -1.32 0.00 0.00 176.35 175.18 2q4g n THR 87 N 5.56 0.00 0.64 3.68 -2.24 -1.07 -4.91 114.28 115.94 2q4g n THR 87 Ca 0.17 -0.42 0.11 0.00 -2.27 0.00 0.00 64.05 61.64 2q4g n THR 87 Cb 0.43 -0.91 0.46 0.00 -2.10 0.00 0.00 70.33 68.21 2q4g n THR 87 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2q4g n ASN 88 N -4.39 0.35 0.03 3.42 3.02 -1.26 -3.46 115.26 112.97 2q4g n ASN 88 Ca 0.02 0.56 0.11 0.00 -0.03 0.00 0.00 54.58 55.24 2q4g n ASN 88 Cb 0.56 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 39.04 2q4g n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q4g n GLY 89 N 0.70 -1.18 3.43 7.41 0.00 -1.26 -5.01 105.19 109.28 2q4g n GLY 89 Ca 0.05 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2q4g n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2q4g n SER 90 N -2.13 -1.72 -3.35 1.61 7.64 -1.22 -5.05 113.62 109.40 2q4g n SER 90 Ca 0.00 0.44 0.02 0.00 1.01 0.00 0.00 58.87 60.34 2q4g n SER 90 Cb 0.48 -1.21 -0.04 0.00 -1.01 0.00 0.00 64.21 62.43 2q4g n SER 90 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2q4g s ARG 91 N -3.27 0.19 0.18 1.43 3.52 -0.87 -5.04 118.95 115.09 2q4g s ARG 91 Ca 0.60 0.45 -0.32 0.00 -0.13 0.00 0.00 55.73 56.33 2q4g s ARG 91 Cb -0.27 0.25 -0.16 0.00 -1.56 0.00 0.00 34.95 33.21 2q4g s ARG 91 CO 0.63 -0.06 1.12 0.98 -0.81 0.00 0.00 175.30 177.16 2q4g n TYR 92 N 4.64 1.20 -0.43 5.12 9.36 -1.26 0.77 117.16 136.55 2q4g n TYR 92 Ca -0.09 0.71 -0.15 0.00 3.32 0.00 0.00 57.90 61.68 2q4g n TYR 92 Cb 0.54 -2.26 0.10 0.00 -0.63 0.00 0.00 39.34 37.09 2q4g n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2q4g n PRO 93 N 1.64 1.78 -3.47 2.98 -0.04 -1.26 -5.04 135.00 131.59 2q4g n PRO 93 Ca 0.15 -1.82 -0.43 0.00 -0.04 0.00 0.00 63.50 61.36 2q4g n PRO 93 Cb 0.25 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 2q4g n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2q4g s ASN 94 N -0.36 6.29 -0.43 3.54 0.01 0.23 -5.01 114.94 119.22 2q4g s ASN 94 Ca 0.35 -2.89 -0.09 0.00 -0.71 0.00 0.00 52.86 49.52 2q4g s ASN 94 Cb 0.29 -2.08 0.09 0.00 0.41 0.00 0.00 41.25 39.95 2q4g s ASN 94 CO 0.05 -0.46 0.27 0.00 -1.51 0.00 0.00 177.10 175.46 2q4g s ALA 96 N 1.40 3.08 0.07 0.00 0.00 -1.26 -4.94 121.76 120.11 2q4g s ALA 96 Ca 0.04 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.15 2q4g s ALA 96 Cb -0.24 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 2q4g s ALA 96 CO 0.01 0.59 -0.18 0.71 0.00 0.00 0.00 175.76 176.90 2q4g s TYR 97 N -0.90 1.56 -0.18 0.00 1.51 -1.26 -2.59 117.35 115.50 2q4g s TYR 97 Ca 0.14 -0.40 -0.18 0.00 -1.01 0.00 0.00 57.07 55.63 2q4g s TYR 97 Cb -0.11 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 2q4g s TYR 97 CO 0.04 0.11 0.47 0.50 -1.11 0.00 0.00 175.55 175.56 2q4g s ARG 98 N -1.49 4.23 -0.38 -0.62 3.52 -0.44 -4.67 118.95 119.09 2q4g s ARG 98 Ca 0.04 0.37 -0.16 0.00 -0.13 0.00 0.00 55.73 55.85 2q4g s ARG 98 Cb -0.09 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 2q4g s ARG 98 CO 0.03 -0.03 0.37 0.99 -0.81 0.00 0.00 175.30 175.85 2q4g s THR 99 N 1.25 5.16 -0.47 4.11 2.01 -1.26 -2.61 115.64 123.84 2q4g s THR 99 Ca 0.23 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2q4g s THR 99 Cb -0.15 -3.90 0.12 0.00 0.01 0.00 0.00 72.50 68.58 2q4g s THR 99 CO 0.09 -0.23 0.22 -0.44 -0.69 0.00 0.00 174.62 173.57 2q4g s SER 100 N 1.75 4.72 0.33 3.53 0.01 -0.57 -4.85 113.70 118.63 2q4g s SER 100 Ca 0.10 -2.61 -0.26 0.00 1.31 0.00 0.00 55.95 54.50 2q4g s SER 100 Cb -0.17 -1.69 -0.10 0.00 0.21 0.00 0.00 66.02 64.27 2q4g s SER 100 CO 0.12 -0.34 0.97 -2.16 0.41 0.00 0.00 173.24 172.24 2q4g s PRO 101 N 0.29 4.53 0.08 12.44 0.04 -1.26 -2.09 135.00 149.02 2q4g s PRO 101 Ca 0.14 1.38 -0.27 0.00 0.04 0.00 0.00 61.00 62.29 2q4g s PRO 101 Cb -0.22 -2.78 0.09 0.00 0.04 0.00 0.00 34.50 31.62 2q4g s PRO 101 CO -0.04 0.21 1.10 -1.59 0.04 0.00 0.00 177.00 176.73 2q4g s LYS 102 N -2.08 0.86 -0.23 4.56 -2.85 -1.05 -4.99 119.74 113.96 2q4g s LYS 102 Ca 0.51 -0.48 -0.01 0.00 -1.00 0.00 0.00 55.97 54.99 2q4g s LYS 102 Cb -0.20 0.29 0.02 0.00 -2.06 0.00 0.00 37.83 35.89 2q4g s LYS 102 CO 0.25 -0.39 -0.10 -1.21 0.10 0.00 0.00 175.35 174.00 2q4g s GLU 103 N -2.92 2.92 0.18 1.78 2.02 -1.26 -1.98 118.70 119.44 2q4g s GLU 103 Ca 0.13 -0.91 -0.05 0.00 0.02 0.00 0.00 54.97 54.16 2q4g s GLU 103 Cb 0.01 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 2q4g s GLU 103 CO -0.00 -0.33 0.20 1.03 0.02 0.00 0.00 175.26 176.18 2q4g s ARG 104 N 1.33 1.16 0.49 1.61 1.81 -1.11 -4.83 118.95 119.42 2q4g s ARG 104 Ca 0.02 -1.40 -0.16 0.00 -1.72 0.00 0.00 55.73 52.47 2q4g s ARG 104 Cb -0.16 0.32 -0.08 0.00 -0.45 0.00 0.00 34.95 34.59 2q4g s ARG 104 CO -0.06 -0.40 0.95 -1.01 -0.68 0.00 0.00 175.30 174.10 2q4g s HIS 105 N -4.06 3.45 0.12 -0.53 3.76 0.50 -0.04 115.29 118.50 2q4g s HIS 105 Ca 0.27 1.40 0.07 0.00 -0.15 0.00 0.00 55.06 56.65 2q4g s HIS 105 Cb 0.05 -2.74 -0.04 0.00 1.11 0.00 0.00 32.58 30.97 2q4g s HIS 105 CO 0.06 -0.32 -0.17 0.96 -0.85 0.00 0.00 174.74 174.42 2q4g s ILE 106 N -2.57 1.51 -0.04 0.60 -4.36 -1.26 0.22 121.20 115.30 2q4g s ILE 106 Ca 0.58 -1.69 0.04 0.00 -0.26 0.00 0.00 60.65 59.32 2q4g s ILE 106 Cb -0.10 -1.57 -0.00 0.00 1.25 0.00 0.00 42.46 42.04 2q4g s ILE 106 CO 0.31 -0.30 -0.17 -0.63 0.24 0.00 0.00 174.94 174.39 2q4g s ILE 107 N -1.83 1.37 0.06 8.37 1.01 -0.52 -1.05 121.20 128.61 2q4g s ILE 107 Ca 0.09 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.05 2q4g s ILE 107 Cb -0.07 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2q4g s ILE 107 CO 0.04 0.40 -0.05 0.68 0.00 0.00 0.00 174.94 176.00 2q4g s VAL 108 N -0.03 0.43 0.04 2.92 -7.23 -0.67 -1.07 120.40 114.78 2q4g s VAL 108 Ca -0.02 -1.56 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2q4g s VAL 108 Cb -0.10 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 2q4g s VAL 108 CO 0.02 -0.75 0.19 0.00 -0.31 0.00 0.00 175.10 174.24 2q4g s ALA 109 N -2.92 3.96 0.12 1.32 0.00 -0.35 -0.37 121.76 123.52 2q4g s ALA 109 Ca 0.01 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.20 2q4g s ALA 109 Cb 0.01 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 2q4g s ALA 109 CO -0.05 0.80 -0.12 0.00 0.00 0.00 0.00 175.76 176.39 2q4g n GLU 111 N 0.39 0.00 -0.51 0.00 2.13 -0.96 -4.91 120.64 116.78 2q4g n GLU 111 Ca -0.15 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.74 2q4g n GLU 111 Cb 0.58 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.27 2q4g n GLU 111 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2q4g n GLY 112 N 0.00 -0.90 2.89 8.31 0.00 -1.26 -1.98 105.19 112.24 2q4g n GLY 112 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 2q4g n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2q4g s SER 113 N -4.47 3.44 1.14 1.61 0.15 -1.26 -2.72 113.70 111.59 2q4g s SER 113 Ca 0.00 -0.99 -0.16 0.00 0.70 0.00 0.00 55.95 55.50 2q4g s SER 113 Cb 0.00 -1.00 0.26 0.00 -1.71 0.00 0.00 66.02 63.57 2q4g s SER 113 CO 0.00 -0.24 1.07 -2.16 1.20 0.00 0.00 173.24 173.11 2q4g s PRO 114 N 1.54 -0.71 -0.41 5.44 0.04 -1.26 -5.09 135.00 134.56 2q4g s PRO 114 Ca -0.03 0.34 -0.28 0.00 0.04 0.00 0.00 61.00 61.07 2q4g s PRO 114 Cb -0.18 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 32.77 2q4g s PRO 114 CO -0.07 -3.46 1.05 -0.47 0.04 0.00 0.00 177.00 174.09 2q4g s TYR 115 N -2.82 2.98 0.23 0.56 6.04 -1.10 -4.84 117.35 118.39 2q4g s TYR 115 Ca 0.68 0.83 -0.05 0.00 0.04 0.00 0.00 57.07 58.56 2q4g s TYR 115 Cb -0.17 -4.01 -0.02 0.00 -1.04 0.00 0.00 41.96 36.72 2q4g s TYR 115 CO 0.59 -1.02 0.28 0.14 -1.54 0.00 0.00 175.55 174.00 2q4g s VAL 116 N 3.94 0.00 0.15 3.14 -7.23 -0.84 -4.90 120.40 114.67 2q4g s VAL 116 Ca 0.44 -1.76 -0.31 0.00 -1.81 0.00 0.00 61.98 58.54 2q4g s VAL 116 Cb -0.10 -2.39 -0.08 0.00 0.56 0.00 0.00 36.38 34.36 2q4g s VAL 116 CO 0.24 0.00 1.37 -2.84 -0.31 0.00 0.00 175.10 173.56 2q4g s PRO 117 N -4.05 4.33 0.00 4.82 0.02 -1.26 -2.27 135.00 136.59 2q4g s PRO 117 Ca 0.33 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.44 2q4g s PRO 117 Cb 0.04 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2q4g s PRO 117 CO 0.11 -0.38 0.43 1.33 -0.33 0.00 0.00 177.00 178.16 2q4g n VAL 118 N 3.43 0.14 -3.64 3.83 0.24 -0.85 -4.52 118.33 116.96 2q4g n VAL 118 Ca 0.10 -0.17 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 2q4g n VAL 118 Cb 0.42 1.20 -0.07 0.00 -1.47 0.00 0.00 33.84 33.92 2q4g n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2q4g s HIS 119 N -0.14 -0.57 -0.26 6.34 5.65 -1.21 -4.57 115.29 120.53 2q4g s HIS 119 Ca 0.00 1.36 -0.08 0.00 0.25 0.00 0.00 55.06 56.59 2q4g s HIS 119 Cb 0.00 0.35 -0.03 0.00 -1.18 0.00 0.00 32.58 31.72 2q4g s HIS 119 CO 0.00 -0.27 0.10 0.12 -0.65 0.00 0.00 174.74 174.04 2q4g s PHE 120 N 0.35 3.12 -0.22 3.88 5.36 -1.26 -1.22 117.98 127.99 2q4g s PHE 120 Ca 0.02 -0.34 -0.03 0.00 -0.96 0.00 0.00 56.93 55.62 2q4g s PHE 120 Cb -0.05 -2.27 -0.19 0.00 -0.34 0.00 0.00 43.02 40.16 2q4g s PHE 120 CO -0.05 -0.33 -0.06 -3.47 -1.46 0.00 0.00 175.22 169.85 2q4g n ASP 121 N 4.95 2.02 -3.61 6.13 -0.08 -0.24 -4.96 116.55 120.76 2q4g n ASP 121 Ca -0.16 0.02 -0.02 0.00 -1.51 0.00 0.00 54.79 53.12 2q4g n ASP 121 Cb 0.51 -0.59 -0.00 0.00 2.34 0.00 0.00 41.12 43.38 2q4g n ASP 121 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2q4g s ALA 122 N -2.52 -1.80 0.02 -1.67 0.00 -1.15 -4.91 121.76 109.72 2q4g s ALA 122 Ca -0.32 0.09 0.08 0.00 0.00 0.00 0.00 51.96 51.81 2q4g s ALA 122 Cb 0.09 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 2q4g s ALA 122 CO 0.64 -1.06 -0.23 -1.54 0.00 0.00 0.00 175.76 173.57 2q4g s SER 123 N -3.14 2.70 -0.19 0.00 1.04 -1.26 -1.43 113.70 111.41 2q4g s SER 123 Ca 0.17 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2q4g s SER 123 Cb -0.00 -0.26 0.04 0.00 0.10 0.00 0.00 66.02 65.90 2q4g s SER 123 CO 0.02 0.23 -0.08 -0.69 0.98 0.00 0.00 173.24 173.70 2q4g s VAL 124 N -0.70 1.47 -0.70 5.02 1.01 0.13 -4.94 120.40 121.70 2q4g s VAL 124 Ca 0.09 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 2q4g s VAL 124 Cb -0.09 -1.60 0.13 0.00 0.00 0.00 0.00 36.38 34.82 2q4g s VAL 124 CO 0.01 0.11 0.79 -0.70 0.00 0.00 0.00 175.10 175.31 2q4g s GLU 125 N 1.47 3.24 -0.04 2.72 2.12 -1.26 -0.37 118.70 126.58 2q4g s GLU 125 Ca -0.01 -1.61 0.07 0.00 0.36 0.00 0.00 54.97 53.78 2q4g s GLU 125 Cb -0.16 -4.41 0.17 0.00 0.26 0.00 0.00 34.13 29.98 2q4g s GLU 125 CO -0.08 -1.54 1.12 -0.40 -0.54 0.00 0.00 175.26 173.82 2q4g n ASP 126 N 5.94 2.43 0.00 -1.70 3.85 -1.26 -5.06 116.55 120.76 2q4g n ASP 126 Ca 0.01 -2.28 0.00 0.00 -0.71 0.00 0.00 54.79 51.81 2q4g n ASP 126 Cb 0.44 -0.18 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 2q4g n ASP 126 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65