#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q2r s PRO 12 N 0.00 2.21 -0.04 -0.14 0.04 -1.26 -4.71 135.00 131.10 1q2r s PRO 12 Ca 0.00 1.79 -0.20 0.00 0.04 0.00 0.00 61.00 62.63 1q2r s PRO 12 Cb 0.00 -1.84 -0.14 0.00 0.04 0.00 0.00 34.50 32.56 1q2r s PRO 12 CO 0.00 -1.79 0.85 -0.09 0.04 0.00 0.00 177.00 176.02 1q2r h ARG 13 N -0.17 -0.31 -1.18 4.56 2.43 -1.90 -1.78 114.38 116.03 1q2r h ARG 13 Ca -0.48 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.75 1q2r h ARG 13 Cb 1.30 0.07 -0.23 0.00 -0.42 0.00 0.00 29.97 30.69 1q2r h ARG 13 CO 0.50 0.04 -0.31 0.12 -1.51 0.00 0.00 179.97 178.81 1q2r s PHE 14 N -3.54 -1.45 -0.27 2.20 5.36 -1.21 -3.90 117.98 115.16 1q2r s PHE 14 Ca -0.12 1.53 -0.02 0.00 -0.96 0.00 0.00 56.93 57.37 1q2r s PHE 14 Cb 0.01 0.45 0.09 0.00 -0.34 0.00 0.00 43.02 43.23 1q2r s PHE 14 CO 0.42 -0.85 0.08 0.45 -1.46 0.00 0.00 175.22 173.86 1q2r s SER 15 N 2.80 3.63 0.02 6.13 0.15 -0.62 -4.94 113.70 120.87 1q2r s SER 15 Ca 0.19 -1.34 -0.23 0.00 0.70 0.00 0.00 55.95 55.27 1q2r s SER 15 Cb -0.15 -0.72 -0.05 0.00 -1.71 0.00 0.00 66.02 63.39 1q2r s SER 15 CO -0.20 -0.38 0.69 0.12 1.20 0.00 0.00 173.24 174.67 1q2r s PHE 16 N 1.75 3.71 -0.06 3.44 5.36 -1.26 -1.75 117.98 129.16 1q2r s PHE 16 Ca 0.06 1.35 -0.03 0.00 -0.96 0.00 0.00 56.93 57.36 1q2r s PHE 16 Cb -0.17 -2.74 0.04 0.00 -0.34 0.00 0.00 43.02 39.81 1q2r s PHE 16 CO -0.22 0.29 0.11 -1.12 -1.46 0.00 0.00 175.22 172.83 1q2r s SER 17 N -0.07 0.88 -0.19 6.13 0.01 -0.50 -5.01 113.70 114.96 1q2r s SER 17 Ca 0.35 0.20 -0.23 0.00 1.31 0.00 0.00 55.95 57.59 1q2r s SER 17 Cb -0.19 0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 1q2r s SER 17 CO 0.20 -0.24 0.72 -0.63 0.41 0.00 0.00 173.24 173.70 1q2r s ILE 18 N 2.15 4.96 -0.22 1.44 1.01 -1.26 -1.71 121.20 127.57 1q2r s ILE 18 Ca 0.03 1.37 0.20 0.00 0.00 0.00 0.00 60.65 62.26 1q2r s ILE 18 Cb -0.12 -4.03 -0.29 0.00 0.01 0.00 0.00 42.46 38.03 1q2r s ILE 18 CO -0.04 0.07 0.53 0.00 0.00 0.00 0.00 174.94 175.49 1q2r n ALA 19 N 5.18 3.14 -3.41 9.38 0.00 -0.31 -4.97 120.51 129.51 1q2r n ALA 19 Ca 0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 53.44 52.80 1q2r n ALA 19 Cb 0.49 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 1q2r n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q2r s ALA 20 N -3.29 -1.51 0.05 0.00 0.00 -0.86 -5.02 121.76 111.14 1q2r s ALA 20 Ca -0.04 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 1q2r s ALA 20 Cb 0.13 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1q2r s ALA 20 CO 0.83 -0.43 -0.03 1.03 0.00 0.00 0.00 175.76 177.17 1q2r s ARG 21 N -1.78 0.60 -0.30 0.00 0.52 -1.26 -1.33 118.95 115.39 1q2r s ARG 21 Ca -0.09 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 53.92 1q2r s ARG 21 Cb -0.01 0.19 0.19 0.00 0.52 0.00 0.00 34.95 35.85 1q2r s ARG 21 CO 0.04 -0.10 0.73 -2.00 0.02 0.00 0.00 175.30 173.98 1q2r s GLU 22 N -3.78 0.45 5.92 3.54 2.12 -0.19 -4.87 118.70 121.89 1q2r s GLU 22 Ca 0.06 0.62 0.00 0.00 0.36 0.00 0.00 54.97 56.01 1q2r s GLU 22 Cb 0.07 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.78 1q2r s GLU 22 CO -0.09 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 1q2r n GLY 23 N 5.39 2.20 0.20 -1.50 0.00 -1.26 -1.73 105.19 108.50 1q2r n GLY 23 Ca 0.02 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.66 1q2r n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q2r h LYS 24 N 0.00 0.00 -7.12 1.61 1.57 -1.90 -3.46 116.57 107.27 1q2r h LYS 24 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1q2r h LYS 24 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.37 1q2r h LYS 24 CO 0.00 0.05 0.40 0.00 -0.57 0.00 0.00 179.45 179.33 1q2r s ALA 25 N -3.20 2.74 -0.15 3.86 0.00 -0.70 -3.84 121.76 120.46 1q2r s ALA 25 Ca 0.06 0.63 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 1q2r s ALA 25 Cb 0.06 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.96 1q2r s ALA 25 CO 0.69 -0.67 0.69 -0.98 0.00 0.00 0.00 175.76 175.49 1q2r s ARG 26 N -3.52 0.95 0.07 0.00 3.03 -1.26 -1.02 118.95 117.20 1q2r s ARG 26 Ca 0.68 0.59 0.09 0.00 2.03 0.00 0.00 55.73 59.13 1q2r s ARG 26 Cb -0.19 0.45 -0.03 0.00 -1.03 0.00 0.00 34.95 34.15 1q2r s ARG 26 CO 0.28 -0.22 -0.25 -0.08 -1.13 0.00 0.00 175.30 173.90 1q2r s THR 27 N -0.47 2.29 0.00 4.99 -1.32 -0.44 -4.24 115.64 116.44 1q2r s THR 27 Ca -0.06 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 1q2r s THR 27 Cb -0.02 -1.93 0.00 0.00 -1.51 0.00 0.00 72.50 69.03 1q2r s THR 27 CO 0.06 0.29 0.00 0.61 -2.21 0.00 0.00 174.62 173.37 1q2r n GLY 28 N 1.52 1.54 3.25 6.08 0.00 -0.53 -1.17 105.19 115.89 1q2r n GLY 28 Ca -0.17 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 1q2r n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q2r s THR 29 N -0.84 0.10 -0.16 2.61 -4.23 -0.69 -0.61 115.64 111.82 1q2r s THR 29 Ca 0.00 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 1q2r s THR 29 Cb 0.00 -1.15 0.01 0.00 1.34 0.00 0.00 72.50 72.71 1q2r s THR 29 CO 0.00 -0.46 -0.21 -0.63 -0.54 0.00 0.00 174.62 172.79 1q2r s ILE 30 N -3.39 2.09 -0.26 2.99 1.01 0.23 -1.40 121.20 122.48 1q2r s ILE 30 Ca 0.01 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 1q2r s ILE 30 Cb 0.02 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1q2r s ILE 30 CO -0.09 0.54 0.17 -1.61 0.00 0.00 0.00 174.94 173.96 1q2r s GLU 31 N 0.99 4.01 0.24 2.79 2.02 -0.72 0.02 118.70 128.05 1q2r s GLU 31 Ca -0.02 -0.30 0.04 0.00 0.02 0.00 0.00 54.97 54.71 1q2r s GLU 31 Cb -0.15 -3.58 -0.05 0.00 0.10 0.00 0.00 34.13 30.45 1q2r s GLU 31 CO -0.06 -0.04 -0.01 -1.64 0.02 0.00 0.00 175.26 173.53 1q2r s MET 32 N 1.35 1.37 0.23 1.61 -1.94 -0.39 -1.58 119.30 119.96 1q2r s MET 32 Ca 0.07 -1.70 -0.06 0.00 -1.71 0.00 0.00 55.69 52.29 1q2r s MET 32 Cb -0.15 -0.69 0.39 0.00 2.01 0.00 0.00 34.83 36.40 1q2r s MET 32 CO 0.07 -0.08 1.73 0.87 -0.01 0.00 0.00 175.02 177.59 1q2r h LYS 33 N 2.44 0.39 -0.00 2.03 1.79 -1.43 -2.14 116.57 119.65 1q2r h LYS 33 Ca -0.39 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1q2r h LYS 33 Cb 1.22 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1q2r h LYS 33 CO 0.65 0.26 -0.12 0.54 -1.08 0.00 0.00 179.45 179.70 1q2r n ARG 34 N -5.02 0.72 0.00 3.15 1.74 -1.26 -5.01 116.66 110.98 1q2r n ARG 34 Ca 0.12 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1q2r n ARG 34 Cb 0.37 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1q2r n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q2r n GLY 35 N 1.28 -0.03 3.73 -0.13 0.00 -0.80 -4.08 105.19 105.16 1q2r n GLY 35 Ca 0.14 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 1q2r n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q2r s VAL 36 N -1.96 4.48 -0.31 1.61 1.01 -1.26 -1.26 120.40 122.72 1q2r s VAL 36 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1q2r s VAL 36 Cb 0.00 -3.00 0.08 0.00 0.00 0.00 0.00 36.38 33.46 1q2r s VAL 36 CO 0.00 0.41 -0.01 -0.63 0.00 0.00 0.00 175.10 174.87 1q2r s ILE 37 N -1.10 2.38 0.38 2.22 1.01 0.10 -4.84 121.20 121.35 1q2r s ILE 37 Ca 0.20 -1.92 -0.27 0.00 0.00 0.00 0.00 60.65 58.66 1q2r s ILE 37 Cb -0.12 -2.56 -0.09 0.00 0.01 0.00 0.00 42.46 39.70 1q2r s ILE 37 CO 0.10 -0.31 1.28 -0.13 0.00 0.00 0.00 174.94 175.88 1q2r s ARG 38 N 1.04 4.13 0.06 2.79 0.52 -1.26 -0.60 118.95 125.63 1q2r s ARG 38 Ca 0.00 2.12 0.02 0.00 -0.52 0.00 0.00 55.73 57.36 1q2r s ARG 38 Cb -0.20 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 1q2r s ARG 38 CO -0.06 -0.35 -0.08 0.95 0.02 0.00 0.00 175.30 175.78 1q2r s THR 39 N -1.24 0.63 0.46 0.02 -4.23 0.22 -3.65 115.64 107.85 1q2r s THR 39 Ca 0.54 -1.25 -0.23 0.00 -1.18 0.00 0.00 61.69 59.56 1q2r s THR 39 Cb -0.37 -0.84 -0.09 0.00 1.34 0.00 0.00 72.50 72.54 1q2r s THR 39 CO 0.48 -0.45 1.14 -2.65 -0.54 0.00 0.00 174.62 172.60 1q2r n PRO 40 N 1.18 1.53 -4.25 3.99 -0.02 -1.26 -1.45 135.00 134.72 1q2r n PRO 40 Ca -0.21 0.55 -0.21 0.00 -2.02 0.00 0.00 63.50 61.61 1q2r n PRO 40 Cb 0.56 -2.25 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 1q2r n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q2r s ALA 41 N -1.29 1.61 -0.16 3.55 0.00 -0.18 -4.89 121.76 120.40 1q2r s ALA 41 Ca 0.65 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1q2r s ALA 41 Cb -0.50 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1q2r s ALA 41 CO 0.55 0.25 -0.17 0.12 0.00 0.00 0.00 175.76 176.51 1q2r s PHE 42 N -1.45 2.76 -0.34 0.00 5.36 -1.26 -1.15 117.98 121.90 1q2r s PHE 42 Ca 0.06 -1.23 -0.10 0.00 -0.96 0.00 0.00 56.93 54.70 1q2r s PHE 42 Cb -0.09 -1.89 0.01 0.00 -0.34 0.00 0.00 43.02 40.71 1q2r s PHE 42 CO 0.04 -0.58 0.17 -1.64 -1.46 0.00 0.00 175.22 171.75 1q2r s MET 43 N 0.95 3.09 0.56 10.12 -1.94 0.13 -4.74 119.30 127.46 1q2r s MET 43 Ca -0.03 -0.89 -0.21 0.00 -1.71 0.00 0.00 55.69 52.85 1q2r s MET 43 Cb -0.15 -3.63 -0.04 0.00 2.01 0.00 0.00 34.83 33.02 1q2r s MET 43 CO -0.03 -0.55 1.29 -2.14 -0.01 0.00 0.00 175.02 173.58 1q2r s PRO 44 N 1.58 3.10 -0.24 2.03 0.02 -1.25 -3.83 135.00 136.40 1q2r s PRO 44 Ca 0.03 2.05 -0.19 0.00 0.02 0.00 0.00 61.00 62.92 1q2r s PRO 44 Cb -0.18 -2.14 -0.03 0.00 0.02 0.00 0.00 34.50 32.17 1q2r s PRO 44 CO 0.06 -1.16 0.54 0.08 -0.33 0.00 0.00 177.00 176.19 1q2r s VAL 45 N -1.41 5.06 -0.57 3.83 1.01 -1.26 -1.60 120.40 125.45 1q2r s VAL 45 Ca 0.73 0.96 0.06 0.00 0.00 0.00 0.00 61.98 63.73 1q2r s VAL 45 Cb -0.36 -3.86 0.32 0.00 0.00 0.00 0.00 36.38 32.49 1q2r s VAL 45 CO 0.41 0.10 0.89 0.61 0.00 0.00 0.00 175.10 177.11 1q2r n GLY 46 N 4.21 5.27 0.07 4.51 0.00 0.25 -4.47 105.19 115.03 1q2r n GLY 46 Ca -0.03 -2.68 -0.02 0.00 0.00 0.00 0.00 46.02 43.29 1q2r n GLY 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q2r n THR 47 N 0.02 -0.12 -1.13 2.61 -1.04 -1.25 -2.24 114.28 111.14 1q2r n THR 47 Ca 0.30 1.42 -0.20 0.00 -2.04 0.00 0.00 64.05 63.53 1q2r n THR 47 Cb 0.42 -1.85 -0.01 0.00 -1.82 0.00 0.00 70.33 67.07 1q2r n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q2r n ALA 48 N -2.95 5.68 -3.18 2.41 0.00 -1.26 -2.43 120.51 118.79 1q2r n ALA 48 Ca 0.00 -2.20 -0.15 0.00 0.00 0.00 0.00 53.44 51.09 1q2r n ALA 48 Cb 0.05 -1.71 0.06 0.00 0.00 0.00 0.00 19.45 17.85 1q2r n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q2r n ALA 49 N 0.63 -1.00 -3.64 0.00 0.00 -0.95 -4.97 120.51 110.58 1q2r n ALA 49 Ca 0.38 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.97 1q2r n ALA 49 Cb 0.58 -3.41 -0.07 0.00 0.00 0.00 0.00 19.45 16.55 1q2r n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1q2r s THR 50 N -3.22 0.00 -0.53 0.00 -1.32 -1.19 -4.80 115.64 104.57 1q2r s THR 50 Ca 0.30 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.59 1q2r s THR 50 Cb -0.13 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.93 1q2r s THR 50 CO 0.49 0.00 0.64 -0.69 -2.21 0.00 0.00 174.62 172.85 1q2r s VAL 51 N 0.16 4.87 -0.13 5.08 1.01 -1.26 -3.78 120.40 126.35 1q2r s VAL 51 Ca 0.05 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1q2r s VAL 51 Cb -0.05 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1q2r s VAL 51 CO -0.12 -0.89 0.41 0.29 0.00 0.00 0.00 175.10 174.79 1q2r n LYS 52 N 6.19 0.00 -1.05 2.72 4.01 -1.26 -1.34 118.16 127.43 1q2r n LYS 52 Ca -0.08 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.71 1q2r n LYS 52 Cb 0.44 -0.38 -0.01 0.00 -0.51 0.00 0.00 35.03 34.58 1q2r n LYS 52 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q2r n ALA 53 N 1.05 -0.03 -2.67 7.82 0.00 -1.26 -4.98 120.51 120.44 1q2r n ALA 53 Ca 0.08 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.36 1q2r n ALA 53 Cb -0.02 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 1q2r n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q2r s LEU 54 N -0.41 2.11 0.45 0.00 1.43 -0.45 -4.60 118.68 117.20 1q2r s LEU 54 Ca 0.00 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 52.59 1q2r s LEU 54 Cb 0.00 -0.53 -0.09 0.00 0.03 0.00 0.00 46.19 45.60 1q2r s LEU 54 CO 0.00 0.06 0.92 -0.54 0.23 0.00 0.00 176.35 177.02 1q2r s LYS 55 N -0.74 4.07 0.28 1.70 1.02 -1.26 -4.50 119.74 120.30 1q2r s LYS 55 Ca 0.02 0.96 0.02 0.00 0.02 0.00 0.00 55.97 56.98 1q2r s LYS 55 Cb -0.06 -2.21 0.61 0.00 -0.52 0.00 0.00 37.83 35.65 1q2r s LYS 55 CO 0.00 -0.09 1.77 -1.35 -0.92 0.00 0.00 175.35 174.76 1q2r h PRO 56 N 1.54 0.69 -0.55 -1.68 0.11 -1.85 0.34 132.00 130.60 1q2r h PRO 56 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1q2r h PRO 56 Cb 1.18 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1q2r h PRO 56 CO 0.62 0.46 0.33 1.05 -0.21 0.00 0.00 178.00 180.25 1q2r h GLU 57 N 0.71 0.74 -0.18 1.05 4.11 -1.92 -0.00 114.58 119.09 1q2r h GLU 57 Ca 0.51 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 59.84 1q2r h GLU 57 Cb 0.72 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1q2r h GLU 57 CO -0.36 0.52 -0.03 1.15 0.07 0.00 0.00 179.01 180.36 1q2r h THR 58 N 0.76 1.28 -0.39 -1.06 2.02 -1.34 0.09 112.91 114.27 1q2r h THR 58 Ca 0.20 -0.96 0.06 0.00 0.77 0.00 0.00 66.41 66.48 1q2r h THR 58 Cb -0.03 1.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 1q2r h THR 58 CO -0.04 0.29 0.05 0.58 0.37 0.00 0.00 175.52 176.77 1q2r h VAL 59 N 0.05 0.76 -0.52 3.16 2.07 -0.57 -0.61 116.25 120.59 1q2r h VAL 59 Ca 0.05 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1q2r h VAL 59 Cb 0.45 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1q2r h VAL 59 CO 0.01 0.03 0.22 -0.09 0.02 0.00 0.00 177.57 177.77 1q2r h ARG 60 N 0.17 0.73 -0.91 1.57 9.65 -0.86 -2.57 114.38 122.17 1q2r h ARG 60 Ca 0.19 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 58.99 1q2r h ARG 60 Cb 0.24 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.64 1q2r h ARG 60 CO -0.27 0.59 0.60 0.00 2.80 0.00 0.00 179.97 183.69 1q2r h ALA 61 N 1.51 1.39 0.00 2.80 0.00 0.59 -1.97 119.26 123.58 1q2r h ALA 61 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1q2r h ALA 61 Cb 0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1q2r h ALA 61 CO -0.02 0.55 -0.12 1.79 0.00 0.00 0.00 179.25 181.45 1q2r h THR 62 N 1.19 0.75 0.00 0.00 1.35 -0.97 -3.46 112.91 111.76 1q2r h THR 62 Ca 0.34 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1q2r h THR 62 Cb -0.07 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1q2r h THR 62 CO -0.09 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1q2r n GLY 63 N -0.89 0.77 3.77 5.82 0.00 -0.74 -4.68 105.19 109.25 1q2r n GLY 63 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1q2r n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q2r s ALA 64 N -1.37 3.49 -0.14 4.61 0.00 -1.24 -4.92 121.76 122.19 1q2r s ALA 64 Ca 0.00 1.41 0.17 0.00 0.00 0.00 0.00 51.96 53.55 1q2r s ALA 64 Cb 0.00 -3.55 -0.26 0.00 0.00 0.00 0.00 23.12 19.32 1q2r s ALA 64 CO 0.00 -0.89 0.43 -0.25 0.00 0.00 0.00 175.76 175.05 1q2r n ASP 65 N 0.50 1.01 -3.69 0.00 8.00 -1.26 -4.67 116.55 116.44 1q2r n ASP 65 Ca 0.01 -0.14 -0.12 0.00 0.71 0.00 0.00 54.79 55.26 1q2r n ASP 65 Cb 0.41 1.67 -0.09 0.00 -0.02 0.00 0.00 41.12 43.09 1q2r n ASP 65 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1q2r s ILE 66 N -3.11 -0.01 0.50 0.53 2.07 -1.26 -4.24 121.20 115.68 1q2r s ILE 66 Ca -0.04 0.03 0.06 0.00 -1.41 0.00 0.00 60.65 59.28 1q2r s ILE 66 Cb 0.11 -0.71 0.01 0.00 0.13 0.00 0.00 42.46 42.01 1q2r s ILE 66 CO 0.72 0.01 0.34 0.27 -1.91 0.00 0.00 174.94 174.37 1q2r s ILE 67 N 0.75 1.88 -0.00 2.00 -4.36 -1.21 -3.95 121.20 116.30 1q2r s ILE 67 Ca -0.04 -1.53 0.03 0.00 -0.26 0.00 0.00 60.65 58.85 1q2r s ILE 67 Cb -0.05 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.24 1q2r s ILE 67 CO -0.06 0.00 -0.10 -0.22 0.24 0.00 0.00 174.94 174.80 1q2r s LEU 68 N -4.18 2.03 0.27 0.37 0.20 -0.63 -1.89 118.68 114.86 1q2r s LEU 68 Ca 0.36 -0.20 0.11 0.00 0.69 0.00 0.00 54.13 55.09 1q2r s LEU 68 Cb -0.01 -0.52 -0.05 0.00 -0.43 0.00 0.00 46.19 45.18 1q2r s LEU 68 CO 0.21 0.11 -0.15 -0.83 -0.29 0.00 0.00 176.35 175.40 1q2r s GLY 69 N -0.30 1.83 -0.13 7.98 0.00 0.05 0.86 107.32 117.60 1q2r s GLY 69 Ca 0.04 -1.82 -0.03 0.00 0.00 0.00 0.00 44.72 42.91 1q2r s GLY 69 CO -0.00 -1.90 -0.04 0.21 0.00 0.00 0.00 173.10 171.37 1q2r s ASN 70 N -3.52 4.79 0.02 1.64 3.84 -1.02 -1.37 114.94 119.32 1q2r s ASN 70 Ca 0.30 -0.09 -0.26 0.00 0.21 0.00 0.00 52.86 53.02 1q2r s ASN 70 Cb -0.05 -1.63 -0.17 0.00 -0.55 0.00 0.00 41.25 38.84 1q2r s ASN 70 CO 0.16 0.23 1.32 0.74 -2.79 0.00 0.00 177.10 176.76 1q2r h THR 71 N 4.89 0.70 0.03 -5.21 2.02 -1.67 -2.65 112.91 111.03 1q2r h THR 71 Ca -0.36 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.33 1q2r h THR 71 Cb 1.19 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1q2r h THR 71 CO 0.60 0.10 -0.06 0.22 0.37 0.00 0.00 175.52 176.74 1q2r h TYR 72 N -0.70 -0.16 0.42 3.16 3.20 -1.81 -1.26 116.97 119.82 1q2r h TYR 72 Ca -0.04 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 1q2r h TYR 72 Cb 0.48 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1q2r h TYR 72 CO 0.01 -0.10 -0.20 0.45 -1.64 0.00 0.00 178.16 176.68 1q2r h HIS 73 N -0.13 -0.53 -0.24 -3.82 3.86 -1.91 -2.84 115.15 109.55 1q2r h HIS 73 Ca 0.02 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1q2r h HIS 73 Cb 0.14 0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1q2r h HIS 73 CO -0.12 -0.30 0.16 -0.07 0.86 0.00 0.00 177.93 178.46 1q2r h LEU 74 N -0.63 0.22 -0.35 2.43 3.38 -1.48 -0.82 115.31 118.06 1q2r h LEU 74 Ca -0.06 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1q2r h LEU 74 Cb 0.47 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1q2r h LEU 74 CO 0.10 0.16 0.06 -0.03 0.09 0.00 0.00 178.44 178.81 1q2r h MET 75 N 0.26 0.18 -0.22 1.13 4.05 -1.02 0.13 114.93 119.43 1q2r h MET 75 Ca 0.09 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.39 1q2r h MET 75 Cb 0.06 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1q2r h MET 75 CO -0.02 0.12 -0.32 -0.07 0.23 0.00 0.00 176.91 176.85 1q2r h LEU 76 N 0.18 0.66 -7.20 3.39 3.38 -1.06 -3.28 115.31 111.38 1q2r h LEU 76 Ca 0.17 -0.52 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 1q2r h LEU 76 Cb 0.19 -0.19 -0.26 0.00 0.09 0.00 0.00 40.66 40.49 1q2r h LEU 76 CO -0.23 1.05 -0.28 -0.60 0.09 0.00 0.00 178.44 178.47 1q2r s ARG 77 N -4.17 0.41 -0.01 1.13 3.52 -0.41 -4.07 118.95 115.34 1q2r s ARG 77 Ca -0.13 0.82 0.03 0.00 -0.13 0.00 0.00 55.73 56.33 1q2r s ARG 77 Cb 0.07 -0.00 0.11 0.00 -1.56 0.00 0.00 34.95 33.57 1q2r s ARG 77 CO 0.82 -0.16 1.03 -0.35 -0.81 0.00 0.00 175.30 175.83 1q2r n PRO 78 N 4.32 1.32 0.00 5.12 -0.04 -1.21 -3.71 135.00 140.81 1q2r n PRO 78 Ca -0.23 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1q2r n PRO 78 Cb 0.55 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1q2r n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q2r n GLY 79 N 0.60 2.30 0.33 0.55 0.00 0.41 -4.65 105.19 104.73 1q2r n GLY 79 Ca 0.04 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 1q2r n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q2r h ALA 80 N 0.00 -0.88 -0.92 4.61 0.00 -1.63 -1.86 119.26 118.59 1q2r h ALA 80 Ca 0.00 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 54.91 1q2r h ALA 80 Cb 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1q2r h ALA 80 CO 0.00 -0.82 0.50 0.93 0.00 0.00 0.00 179.25 179.86 1q2r h GLU 81 N -1.09 0.63 -0.52 0.00 3.07 -1.92 0.27 114.58 115.02 1q2r h GLU 81 Ca -0.08 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 1q2r h GLU 81 Cb 0.61 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1q2r h GLU 81 CO 0.13 0.42 0.22 -0.09 -1.40 0.00 0.00 179.01 178.29 1q2r h ARG 82 N 0.65 0.77 -0.64 2.33 2.43 -1.82 0.49 114.38 118.60 1q2r h ARG 82 Ca 0.52 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.49 1q2r h ARG 82 Cb 0.81 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1q2r h ARG 82 CO -0.39 0.67 0.13 0.82 -1.51 0.00 0.00 179.97 179.69 1q2r h ILE 83 N 0.70 1.26 -0.23 1.20 2.04 -0.33 -0.44 117.51 121.71 1q2r h ILE 83 Ca 0.18 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 65.11 1q2r h ILE 83 Cb 0.18 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1q2r h ILE 83 CO -0.02 0.37 -0.07 0.00 0.00 0.00 0.00 178.15 178.43 1q2r h ALA 84 N 1.05 0.13 -0.89 1.87 0.00 -0.56 0.19 119.26 121.06 1q2r h ALA 84 Ca 0.20 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1q2r h ALA 84 Cb 0.39 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1q2r h ALA 84 CO 0.01 -0.49 0.58 -0.22 0.00 0.00 0.00 179.25 179.13 1q2r h LYS 85 N -0.02 1.09 0.00 0.00 3.64 -0.50 -1.65 116.57 119.13 1q2r h LYS 85 Ca 0.12 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1q2r h LYS 85 Cb 0.20 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1q2r h LYS 85 CO -0.25 0.72 0.00 1.28 -2.27 0.00 0.00 179.45 178.93 1q2r n LEU 86 N -4.44 0.00 0.00 5.20 4.32 -0.21 -4.81 117.00 117.07 1q2r n LEU 86 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1q2r n LEU 86 Cb 0.09 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1q2r n LEU 86 CO 0.35 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 1q2r n GLY 87 N 0.45 1.04 0.00 -0.72 0.00 -0.62 -4.71 105.19 100.63 1q2r n GLY 87 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1q2r n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q2r n GLY 88 N -1.41 1.26 0.11 -0.02 0.00 -0.05 -4.47 105.19 100.61 1q2r n GLY 88 Ca 0.00 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 1q2r n GLY 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1q2r h LEU 89 N 0.00 -0.19 -0.22 0.99 5.85 -1.44 -1.14 115.31 119.15 1q2r h LEU 89 Ca 0.00 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1q2r h LEU 89 Cb 0.00 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1q2r h LEU 89 CO 0.00 -0.07 -0.27 0.45 -0.34 0.00 0.00 178.44 178.21 1q2r h HIS 90 N -0.01 -0.73 -0.48 1.25 3.86 -1.78 -1.30 115.15 115.96 1q2r h HIS 90 Ca 0.09 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1q2r h HIS 90 Cb 0.15 0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 1q2r h HIS 90 CO -0.21 -0.35 0.25 1.03 0.86 0.00 0.00 177.93 179.51 1q2r h SER 91 N -0.29 0.61 -0.16 2.45 0.87 -1.76 -0.59 113.55 114.69 1q2r h SER 91 Ca 0.13 -0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1q2r h SER 91 Cb 0.49 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.24 1q2r h SER 91 CO -0.39 0.54 -0.17 0.15 -0.53 0.00 0.00 176.83 176.43 1q2r h PHE 92 N 0.64 -0.45 -0.01 2.24 3.57 -0.51 -3.08 116.94 119.34 1q2r h PHE 92 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1q2r h PHE 92 Cb 0.07 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1q2r h PHE 92 CO -0.01 -0.25 -0.36 0.00 -2.23 0.00 0.00 178.31 175.46 1q2r n MET 93 N -5.32 1.01 -2.29 1.11 0.00 -0.56 -4.99 117.12 106.09 1q2r n MET 93 Ca -0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 57.70 56.95 1q2r n MET 93 Cb 0.24 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.97 1q2r n MET 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1q2r n GLY 94 N 1.38 0.69 2.80 3.17 0.00 -0.30 -4.75 105.19 108.18 1q2r n GLY 94 Ca 0.11 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 1q2r n GLY 94 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1q2r s TRP 95 N -2.57 1.46 -1.54 1.61 -0.11 -0.79 -4.68 118.94 112.31 1q2r s TRP 95 Ca 0.00 -1.16 0.25 0.00 1.22 0.00 0.00 56.10 56.41 1q2r s TRP 95 Cb -0.00 -1.22 0.45 0.00 -1.50 0.00 0.00 33.47 31.20 1q2r s TRP 95 CO 0.01 -0.67 1.37 -0.40 -4.62 0.00 0.00 176.95 172.64 1q2r n ASP 96 N 4.93 1.08 -4.90 5.86 5.68 -1.26 -4.45 116.55 123.48 1q2r n ASP 96 Ca -0.10 -0.86 -0.29 0.00 -0.50 0.00 0.00 54.79 53.04 1q2r n ASP 96 Cb 0.46 0.32 0.08 0.00 -1.14 0.00 0.00 41.12 40.84 1q2r n ASP 96 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1q2r s ARG 97 N -2.67 2.14 0.30 0.11 0.52 -1.26 -4.85 118.95 113.24 1q2r s ARG 97 Ca 0.18 0.17 -0.27 0.00 -0.52 0.00 0.00 55.73 55.28 1q2r s ARG 97 Cb 0.18 -1.97 -0.14 0.00 0.52 0.00 0.00 34.95 33.54 1q2r s ARG 97 CO 0.61 -1.48 0.92 -0.35 0.02 0.00 0.00 175.30 175.03 1q2r n PRO 98 N -3.24 1.14 -4.69 3.54 -0.04 -1.26 -4.89 135.00 125.55 1q2r n PRO 98 Ca 0.08 0.40 -0.25 0.00 -0.04 0.00 0.00 63.50 63.69 1q2r n PRO 98 Cb 0.60 -1.73 -0.16 0.00 -0.04 0.00 0.00 33.50 32.17 1q2r n PRO 98 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1q2r s ILE 99 N -1.09 1.25 -0.15 0.52 1.01 -1.26 -3.33 121.20 118.14 1q2r s ILE 99 Ca 0.60 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 1q2r s ILE 99 Cb -0.71 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1q2r s ILE 99 CO 0.59 0.37 0.02 -0.22 0.00 0.00 0.00 174.94 175.70 1q2r s LEU 100 N 0.32 3.57 -0.13 2.97 0.20 -0.79 -1.09 118.68 123.73 1q2r s LEU 100 Ca -0.09 0.02 -0.02 0.00 0.69 0.00 0.00 54.13 54.73 1q2r s LEU 100 Cb -0.13 -1.87 -0.03 0.00 -0.43 0.00 0.00 46.19 43.73 1q2r s LEU 100 CO 0.03 0.21 -0.05 0.42 -0.29 0.00 0.00 176.35 176.67 1q2r s THR 101 N 0.12 3.81 0.28 3.68 -4.23 -0.93 -0.77 115.64 117.60 1q2r s THR 101 Ca 0.02 -0.40 -0.24 0.00 -1.18 0.00 0.00 61.69 59.89 1q2r s THR 101 Cb -0.13 -2.64 -0.09 0.00 1.34 0.00 0.00 72.50 70.98 1q2r s THR 101 CO 0.02 0.53 0.86 -0.62 -0.54 0.00 0.00 174.62 174.86 1q2r s ASP 102 N 0.00 7.25 0.45 3.99 -1.08 -0.47 -3.15 116.67 123.66 1q2r s ASP 102 Ca 0.00 1.68 0.12 0.00 -0.52 0.00 0.00 52.55 53.83 1q2r s ASP 102 Cb -0.13 -2.52 1.02 0.00 -1.46 0.00 0.00 42.92 39.83 1q2r s ASP 102 CO 0.03 -0.02 2.06 0.77 0.52 0.00 0.00 175.17 178.53 1q2r h SER 103 N 3.32 0.20 0.00 -0.34 4.64 -1.80 -2.30 113.55 117.27 1q2r h SER 103 Ca -0.47 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1q2r h SER 103 Cb 1.19 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1q2r h SER 103 CO 0.65 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 1q2r n GLY 104 N -1.35 1.02 0.19 -0.77 0.00 -1.26 -4.37 105.19 98.66 1q2r n GLY 104 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1q2r n GLY 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1q2r h GLY 105 N 0.00 0.00 1.25 -0.02 0.00 -1.89 -0.44 103.07 101.97 1q2r h GLY 105 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 1q2r h GLY 105 CO 0.00 0.00 -1.33 -1.82 0.00 0.00 0.00 176.54 173.39 1q2r h TYR 106 N 0.00 1.01 -0.00 5.60 3.20 -1.93 -2.09 116.97 122.75 1q2r h TYR 106 Ca 0.00 -0.67 -0.05 0.00 3.14 0.00 0.00 58.73 61.15 1q2r h TYR 106 Cb 0.01 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1q2r h TYR 106 CO 0.00 1.51 -0.23 1.96 -1.64 0.00 0.00 178.16 179.76 1q2r h GLN 107 N 0.24 0.01 -0.43 1.82 7.50 -1.49 -0.58 115.11 122.17 1q2r h GLN 107 Ca -0.21 -0.00 0.13 0.00 0.50 0.00 0.00 58.65 59.06 1q2r h GLN 107 Cb 2.01 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 29.52 1q2r h GLN 107 CO 0.25 0.23 0.48 0.28 -1.50 0.00 0.00 178.83 178.57 1q2r h VAL 108 N 0.01 0.34 0.00 -0.54 2.07 -1.47 0.24 116.25 116.90 1q2r h VAL 108 Ca -0.00 0.00 -0.43 0.00 0.82 0.00 0.00 66.70 67.09 1q2r h VAL 108 Cb 0.40 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1q2r h VAL 108 CO 0.03 0.00 -2.41 0.80 0.02 0.00 0.00 177.57 176.01 1q2r n MET 109 N -3.67 0.58 0.15 1.57 0.00 -0.32 -3.64 117.12 111.80 1q2r n MET 109 Ca 0.08 0.26 0.12 0.00 -0.00 0.00 0.00 57.70 58.17 1q2r n MET 109 Cb 0.66 -1.49 0.54 0.00 0.00 0.00 0.00 33.22 32.93 1q2r n MET 109 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1q2r h SER 110 N -1.00 0.00 0.00 6.12 4.64 -0.97 -2.47 113.55 119.87 1q2r h SER 110 Ca -0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 1q2r h SER 110 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1q2r h SER 110 CO -0.39 0.00 -0.04 0.18 -0.87 0.00 0.00 176.83 175.71 1q2r n LEU 111 N -2.33 2.09 -0.36 5.97 4.77 0.81 -4.85 117.00 123.09 1q2r n LEU 111 Ca 0.01 -2.75 -0.05 0.00 -0.03 0.00 0.00 56.01 53.20 1q2r n LEU 111 Cb 0.20 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1q2r n LEU 111 CO 0.19 0.64 0.50 -1.54 -1.33 0.00 0.00 177.39 175.84 1q2r n SER 112 N -1.19 -0.74 -0.40 -1.43 3.41 -0.93 -0.19 113.62 112.14 1q2r n SER 112 Ca 0.13 1.61 0.34 0.00 -0.26 0.00 0.00 58.87 60.68 1q2r n SER 112 Cb 0.59 -0.30 0.61 0.00 -0.26 0.00 0.00 64.21 64.85 1q2r n SER 112 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1q2r h SER 113 N 0.00 0.30 -0.50 4.04 4.64 -1.88 1.59 113.55 121.74 1q2r h SER 113 Ca 0.25 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1q2r h SER 113 Cb 0.48 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1q2r h SER 113 CO -0.89 -0.22 0.00 0.18 -0.87 0.00 0.00 176.83 175.03 1q2r n LEU 114 N -4.86 3.83 -4.61 5.97 4.77 0.73 -4.95 117.00 117.88 1q2r n LEU 114 Ca 0.36 -1.93 -0.27 0.00 -0.03 0.00 0.00 56.01 54.14 1q2r n LEU 114 Cb 1.33 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 41.82 1q2r n LEU 114 CO 0.15 0.65 -0.38 0.28 -1.33 0.00 0.00 177.39 176.76 1q2r s THR 115 N -1.79 3.41 -0.24 -5.08 -1.32 0.54 -1.22 115.64 109.94 1q2r s THR 115 Ca 0.40 -1.57 -0.04 0.00 -1.21 0.00 0.00 61.69 59.27 1q2r s THR 115 Cb 0.26 -2.71 0.09 0.00 -1.51 0.00 0.00 72.50 68.63 1q2r s THR 115 CO 0.19 -0.12 0.14 -0.75 -2.21 0.00 0.00 174.62 171.88 1q2r s LYS 116 N -2.90 0.16 0.51 7.08 2.20 -0.28 -4.98 119.74 121.53 1q2r s LYS 116 Ca 0.26 -0.23 -0.15 0.00 -0.36 0.00 0.00 55.97 55.49 1q2r s LYS 116 Cb -0.09 -1.35 -0.07 0.00 -1.51 0.00 0.00 37.83 34.81 1q2r s LYS 116 CO 0.17 -0.85 0.96 -0.65 -0.36 0.00 0.00 175.35 174.62 1q2r s GLN 117 N 2.17 3.87 -0.05 4.03 -0.21 -1.26 -0.35 119.66 127.86 1q2r s GLN 117 Ca 0.06 0.85 -0.30 0.00 0.02 0.00 0.00 55.36 55.99 1q2r s GLN 117 Cb -0.16 -2.17 0.11 0.00 1.00 0.00 0.00 33.01 31.80 1q2r s GLN 117 CO -0.23 -0.28 0.94 -1.54 -2.12 0.00 0.00 175.29 172.05 1q2r s SER 118 N -3.25 -0.35 0.44 5.90 1.04 -0.56 -4.93 113.70 111.99 1q2r s SER 118 Ca 0.57 0.09 0.20 0.00 0.48 0.00 0.00 55.95 57.29 1q2r s SER 118 Cb -0.10 0.35 1.15 0.00 0.10 0.00 0.00 66.02 67.52 1q2r s SER 118 CO 0.35 -0.53 1.86 -0.08 0.98 0.00 0.00 173.24 175.81 1q2r h GLU 119 N 2.12 0.33 -0.55 4.02 4.57 -2.01 -0.12 114.58 122.94 1q2r h GLU 119 Ca -0.20 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 57.87 1q2r h GLU 119 Cb 1.22 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 1q2r h GLU 119 CO 0.30 0.22 0.00 1.49 -1.18 0.00 0.00 179.01 179.84 1q2r h GLU 120 N 0.34 0.97 0.00 1.92 4.81 -1.99 -3.49 114.58 117.14 1q2r h GLU 120 Ca 0.47 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1q2r h GLU 120 Cb 1.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1q2r h GLU 120 CO -0.16 0.98 0.00 0.41 -0.73 0.00 0.00 179.01 179.51 1q2r n GLY 121 N -0.40 -0.86 3.49 1.92 0.00 -0.06 -4.23 105.19 105.04 1q2r n GLY 121 Ca 0.02 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 1q2r n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q2r s VAL 122 N -3.00 3.53 -0.30 1.61 -7.23 -0.88 -1.49 120.40 112.63 1q2r s VAL 122 Ca 0.00 -0.51 -0.18 0.00 -1.81 0.00 0.00 61.98 59.47 1q2r s VAL 122 Cb 0.00 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 1q2r s VAL 122 CO 0.00 0.54 0.54 -0.89 -0.31 0.00 0.00 175.10 174.98 1q2r s THR 123 N -0.09 5.02 -0.01 5.32 2.01 0.53 -1.16 115.64 127.26 1q2r s THR 123 Ca 0.00 0.67 -0.04 0.00 0.31 0.00 0.00 61.69 62.64 1q2r s THR 123 Cb -0.13 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1q2r s THR 123 CO 0.03 -0.08 0.20 -0.36 -0.69 0.00 0.00 174.62 173.72 1q2r s PHE 124 N 2.42 3.56 -0.36 4.92 0.08 0.82 -1.13 117.98 128.29 1q2r s PHE 124 Ca 0.21 0.42 -0.09 0.00 0.12 0.00 0.00 56.93 57.59 1q2r s PHE 124 Cb -0.15 -1.88 0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1q2r s PHE 124 CO 0.11 0.64 0.17 0.21 -0.10 0.00 0.00 175.22 176.26 1q2r s LYS 125 N -1.85 2.81 -0.39 0.44 2.20 -0.36 -0.62 119.74 121.97 1q2r s LYS 125 Ca 0.27 -1.08 -0.41 0.00 -0.36 0.00 0.00 55.97 54.39 1q2r s LYS 125 Cb -0.13 -3.63 -0.18 0.00 -1.51 0.00 0.00 37.83 32.39 1q2r s LYS 125 CO 0.17 -0.66 1.36 0.45 -0.36 0.00 0.00 175.35 176.31 1q2r n SER 126 N 4.94 0.95 0.00 1.43 2.88 0.22 -4.73 113.62 119.32 1q2r n SER 126 Ca -0.12 1.05 0.07 0.00 -1.33 0.00 0.00 58.87 58.54 1q2r n SER 126 Cb 0.46 -0.78 0.39 0.00 -0.75 0.00 0.00 64.21 63.52 1q2r n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q2r n HIS 127 N 3.29 0.00 0.00 0.66 1.44 -1.26 -0.48 115.22 118.87 1q2r n HIS 127 Ca 0.26 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.97 1q2r n HIS 127 Cb -0.04 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 29.83 1q2r n HIS 127 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1q2r n LEU 128 N -1.24 0.00 0.00 2.39 -0.00 -1.26 -4.84 117.00 112.05 1q2r n LEU 128 Ca 0.08 -0.21 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 1q2r n LEU 128 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1q2r n LEU 128 CO 0.11 0.00 -0.38 -0.67 -0.00 0.00 0.00 177.39 176.45 1q2r n ASP 129 N -0.58 3.77 0.00 1.45 2.03 -1.17 -5.00 116.55 117.04 1q2r n ASP 129 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1q2r n ASP 129 Cb 0.00 0.73 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 1q2r n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q2r n GLY 130 N 1.92 3.04 3.56 0.27 0.00 0.37 -4.93 105.19 109.42 1q2r n GLY 130 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1q2r n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q2r n SER 131 N 0.00 -0.40 -4.88 1.61 3.41 -1.26 -4.14 113.62 107.96 1q2r n SER 131 Ca 0.00 0.52 -0.33 0.00 -0.26 0.00 0.00 58.87 58.80 1q2r n SER 131 Cb 0.00 -1.35 -0.05 0.00 -0.26 0.00 0.00 64.21 62.55 1q2r n SER 131 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1q2r s ARG 132 N -3.61 3.75 -0.13 4.33 3.52 -1.26 0.73 118.95 126.27 1q2r s ARG 132 Ca 0.67 0.15 -0.09 0.00 -0.13 0.00 0.00 55.73 56.32 1q2r s ARG 132 Cb -0.29 -2.87 0.04 0.00 -1.56 0.00 0.00 34.95 30.27 1q2r s ARG 132 CO 0.57 0.47 0.34 -1.01 -0.81 0.00 0.00 175.30 174.86 1q2r s HIS 133 N -1.57 -0.43 -0.41 5.12 3.76 0.21 -4.91 115.29 117.06 1q2r s HIS 133 Ca 0.39 0.99 -0.15 0.00 -0.15 0.00 0.00 55.06 56.14 1q2r s HIS 133 Cb -0.13 0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.73 1q2r s HIS 133 CO 0.21 -0.24 0.29 1.41 -0.85 0.00 0.00 174.74 175.56 1q2r s MET 134 N 0.80 2.96 -0.67 1.40 1.75 -1.26 -0.12 119.30 124.16 1q2r s MET 134 Ca -0.05 -1.02 -0.11 0.00 -1.25 0.00 0.00 55.69 53.25 1q2r s MET 134 Cb -0.06 -3.95 0.17 0.00 2.84 0.00 0.00 34.83 33.83 1q2r s MET 134 CO -0.06 -0.74 0.57 -1.17 -0.65 0.00 0.00 175.02 172.98 1q2r s LEU 135 N 1.67 6.17 0.37 4.11 2.96 -0.30 -4.92 118.68 128.73 1q2r s LEU 135 Ca 0.05 -2.39 0.07 0.00 -0.22 0.00 0.00 54.13 51.64 1q2r s LEU 135 Cb -0.19 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.39 1q2r s LEU 135 CO 0.10 -0.62 0.51 -0.94 -1.32 0.00 0.00 176.35 174.08 1q2r s SER 136 N 2.28 5.84 0.19 3.68 1.04 -1.26 -2.07 113.70 123.40 1q2r s SER 136 Ca 0.12 -0.29 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 1q2r s SER 136 Cb -0.19 -0.98 0.20 0.00 0.10 0.00 0.00 66.02 65.15 1q2r s SER 136 CO -0.04 -0.58 1.75 -0.65 0.98 0.00 0.00 173.24 174.70 1q2r h PRO 137 N 0.78 0.37 0.10 4.02 0.11 -1.91 0.14 132.00 135.61 1q2r h PRO 137 Ca -0.43 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1q2r h PRO 137 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1q2r h PRO 137 CO 0.49 0.24 -0.05 1.05 -0.21 0.00 0.00 178.00 179.53 1q2r h GLU 138 N 0.38 -0.13 -0.79 1.05 9.09 -1.91 -1.82 114.58 120.44 1q2r h GLU 138 Ca 0.26 0.01 0.03 0.00 0.05 0.00 0.00 59.36 59.71 1q2r h GLU 138 Cb 0.28 0.03 -0.05 0.00 -1.65 0.00 0.00 28.75 27.37 1q2r h GLU 138 CO -0.26 -0.08 0.51 -0.09 0.05 0.00 0.00 179.01 179.14 1q2r h ARG 139 N -0.15 0.96 -0.82 1.06 9.65 -1.78 -0.32 114.38 122.97 1q2r h ARG 139 Ca -0.01 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1q2r h ARG 139 Cb 0.12 -0.22 -0.05 0.00 -1.39 0.00 0.00 29.97 28.43 1q2r h ARG 139 CO 0.02 0.63 0.52 1.03 2.80 0.00 0.00 179.97 184.98 1q2r h SER 140 N 0.99 0.86 -0.16 -3.80 0.87 -0.51 -0.58 113.55 111.22 1q2r h SER 140 Ca 0.32 -0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.72 1q2r h SER 140 Cb 0.01 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1q2r h SER 140 CO -0.11 0.58 -0.45 0.40 -0.53 0.00 0.00 176.83 176.72 1q2r h ILE 141 N 1.01 1.29 -0.76 2.23 1.08 -0.49 -2.27 117.51 119.60 1q2r h ILE 141 Ca 0.34 -1.64 -0.04 0.00 -0.39 0.00 0.00 64.86 63.12 1q2r h ILE 141 Cb 0.04 1.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 1q2r h ILE 141 CO -0.13 0.53 0.30 -0.08 -0.69 0.00 0.00 178.15 178.08 1q2r h GLU 142 N 0.58 1.14 0.18 2.37 4.81 -0.41 -0.56 114.58 122.69 1q2r h GLU 142 Ca 0.04 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1q2r h GLU 142 Cb 1.00 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1q2r h GLU 142 CO 0.10 0.93 -0.09 0.82 -0.73 0.00 0.00 179.01 180.04 1q2r h ILE 143 N 1.10 0.85 -0.41 2.32 2.04 -1.04 0.13 117.51 122.50 1q2r h ILE 143 Ca 0.25 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 66.07 1q2r h ILE 143 Cb 0.22 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1q2r h ILE 143 CO -0.02 0.03 0.28 1.56 0.00 0.00 0.00 178.15 180.00 1q2r h GLN 144 N -0.30 0.22 -0.01 2.37 4.20 -1.14 0.10 115.11 120.55 1q2r h GLN 144 Ca -0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1q2r h GLN 144 Cb 0.23 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1q2r h GLN 144 CO 0.04 0.14 -0.01 1.25 -0.67 0.00 0.00 178.83 179.59 1q2r h HIS 145 N 0.22 0.02 -0.88 2.96 2.76 -0.45 -1.30 115.15 118.49 1q2r h HIS 145 Ca 0.18 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.48 1q2r h HIS 145 Cb 0.44 -0.01 -0.09 0.00 1.55 0.00 0.00 27.41 29.31 1q2r h HIS 145 CO -0.00 0.51 0.49 -0.07 -1.30 0.00 0.00 177.93 177.56 1q2r h LEU 146 N -0.46 0.65 -1.03 0.26 3.38 0.70 0.31 115.31 119.11 1q2r h LEU 146 Ca 0.00 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1q2r h LEU 146 Cb 0.50 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1q2r h LEU 146 CO 0.00 0.32 -0.38 -0.07 0.09 0.00 0.00 178.44 178.40 1q2r h LEU 147 N 0.74 0.21 0.00 1.67 3.38 -0.80 -3.35 115.31 117.16 1q2r h LEU 147 Ca 0.46 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1q2r h LEU 147 Cb 0.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1q2r h LEU 147 CO -0.31 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1q2r n GLY 148 N -0.29 0.80 3.70 0.83 0.00 0.11 -1.33 105.19 109.01 1q2r n GLY 148 Ca -0.01 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1q2r n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q2r s SER 149 N -2.72 3.44 -0.14 1.61 1.04 -0.95 -4.92 113.70 111.06 1q2r s SER 149 Ca 0.00 2.16 -0.06 0.00 0.48 0.00 0.00 55.95 58.53 1q2r s SER 149 Cb 0.00 -2.56 -0.25 0.00 0.10 0.00 0.00 66.02 63.31 1q2r s SER 149 CO 0.00 -2.76 0.28 0.47 0.98 0.00 0.00 173.24 172.21 1q2r n ASP 150 N -3.82 2.10 -4.23 7.02 8.00 -0.25 -4.76 116.55 120.61 1q2r n ASP 150 Ca 0.12 0.17 -0.35 0.00 0.71 0.00 0.00 54.79 55.44 1q2r n ASP 150 Cb 0.52 -0.81 -0.14 0.00 -0.02 0.00 0.00 41.12 40.67 1q2r n ASP 150 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1q2r s ILE 151 N -2.55 3.14 -0.09 0.53 1.01 -1.10 -0.09 121.20 122.05 1q2r s ILE 151 Ca -0.24 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.30 1q2r s ILE 151 Cb 0.07 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1q2r s ILE 151 CO 0.74 0.14 0.29 -0.69 0.00 0.00 0.00 174.94 175.42 1q2r s VAL 152 N 1.36 5.26 -0.10 2.92 1.01 0.13 -2.19 120.40 128.79 1q2r s VAL 152 Ca 0.00 0.56 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1q2r s VAL 152 Cb -0.17 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1q2r s VAL 152 CO -0.03 0.53 0.12 -0.04 0.00 0.00 0.00 175.10 175.68 1q2r s MET 153 N -0.56 3.35 0.68 2.72 -1.94 -1.19 -1.06 119.30 121.31 1q2r s MET 153 Ca 0.19 -0.21 -0.15 0.00 -1.71 0.00 0.00 55.69 53.80 1q2r s MET 153 Cb -0.14 -3.10 0.01 0.00 2.01 0.00 0.00 34.83 33.61 1q2r s MET 153 CO 0.07 0.75 1.14 0.00 -0.01 0.00 0.00 175.02 176.97 1q2r s ALA 154 N -1.05 2.35 0.07 3.03 0.00 -0.50 -4.37 121.76 121.28 1q2r s ALA 154 Ca 0.17 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 1q2r s ALA 154 Cb -0.12 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1q2r s ALA 154 CO 0.06 -1.48 0.94 0.12 0.00 0.00 0.00 175.76 175.40 1q2r s PHE 155 N -2.23 3.75 0.29 0.00 5.36 -1.26 -4.54 117.98 119.35 1q2r s PHE 155 Ca 0.69 1.72 0.01 0.00 -0.96 0.00 0.00 56.93 58.39 1q2r s PHE 155 Cb -0.23 -3.04 -0.00 0.00 -0.34 0.00 0.00 43.02 39.40 1q2r s PHE 155 CO 0.43 0.15 0.36 -0.40 -1.46 0.00 0.00 175.22 174.29 1q2r n ASP 156 N 3.15 -0.98 -3.94 6.13 5.75 -1.26 -4.25 116.55 121.16 1q2r n ASP 156 Ca 0.03 -2.67 -0.31 0.00 -0.01 0.00 0.00 54.79 51.83 1q2r n ASP 156 Cb 0.50 1.92 -0.15 0.00 -1.03 0.00 0.00 41.12 42.35 1q2r n ASP 156 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1q2r s GLU 157 N -2.82 1.43 -0.60 0.11 2.12 -1.26 -4.09 118.70 113.59 1q2r s GLU 157 Ca 0.27 -1.37 -0.26 0.00 0.36 0.00 0.00 54.97 53.97 1q2r s GLU 157 Cb -0.00 -2.71 -0.06 0.00 0.26 0.00 0.00 34.13 31.62 1q2r s GLU 157 CO 0.19 -0.81 2.20 0.00 -0.54 0.00 0.00 175.26 176.31 1q2r n THR 159 N 7.84 0.33 -1.34 0.00 -1.04 -1.26 -4.55 114.28 114.25 1q2r n THR 159 Ca 0.33 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.96 1q2r n THR 159 Cb 0.52 -1.40 0.12 0.00 -1.82 0.00 0.00 70.33 67.74 1q2r n THR 159 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1q2r s PRO 160 N 0.40 1.63 -0.02 -2.82 0.04 -1.26 -4.80 135.00 128.17 1q2r s PRO 160 Ca 0.76 0.76 0.03 0.00 0.04 0.00 0.00 61.00 62.59 1q2r s PRO 160 Cb -0.71 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 31.97 1q2r s PRO 160 CO 0.43 -1.97 -0.09 -0.47 0.04 0.00 0.00 177.00 174.94 1q2r s TYR 161 N -3.02 0.88 1.11 0.56 5.04 -1.26 -4.13 117.35 116.52 1q2r s TYR 161 Ca 0.62 -0.20 -0.14 0.00 -2.44 0.00 0.00 57.07 54.92 1q2r s TYR 161 Cb -0.16 -0.61 0.25 0.00 0.35 0.00 0.00 41.96 41.79 1q2r s TYR 161 CO 0.56 -0.07 1.06 -2.14 -1.34 0.00 0.00 175.55 173.62 1q2r s PRO 162 N 0.05 -0.50 -0.19 4.97 0.02 -1.26 -4.92 135.00 133.16 1q2r s PRO 162 Ca -0.01 0.50 -0.11 0.00 0.02 0.00 0.00 61.00 61.41 1q2r s PRO 162 Cb -0.07 -1.63 0.06 0.00 0.02 0.00 0.00 34.50 32.89 1q2r s PRO 162 CO 0.00 -3.35 0.47 0.00 -0.33 0.00 0.00 177.00 173.79 1q2r s ALA 163 N -2.77 -1.23 0.60 -1.55 0.00 -1.26 -5.09 121.76 110.46 1q2r s ALA 163 Ca 0.67 1.72 -0.18 0.00 0.00 0.00 0.00 51.96 54.17 1q2r s ALA 163 Cb -0.19 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1q2r s ALA 163 CO 0.60 -0.30 1.16 0.95 0.00 0.00 0.00 175.76 178.16 1q2r s THR 164 N 1.49 2.93 0.61 0.00 -4.23 -1.26 -4.76 115.64 110.41 1q2r s THR 164 Ca -0.09 0.54 0.30 0.00 -1.18 0.00 0.00 61.69 61.26 1q2r s THR 164 Cb -0.08 -3.17 0.36 0.00 1.34 0.00 0.00 72.50 70.96 1q2r s THR 164 CO -0.14 -0.16 2.04 -0.65 -0.54 0.00 0.00 174.62 175.17 1q2r h PRO 165 N 0.77 0.00 0.13 3.99 0.11 -2.01 -0.80 132.00 134.19 1q2r h PRO 165 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1q2r h PRO 165 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1q2r h PRO 165 CO 0.55 0.00 -0.06 0.77 -0.21 0.00 0.00 178.00 179.05 1q2r h SER 166 N 0.00 -0.15 -0.22 -2.05 0.02 -1.99 -1.99 113.55 107.17 1q2r h SER 166 Ca 0.09 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1q2r h SER 166 Cb 0.63 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1q2r h SER 166 CO -0.00 0.41 0.11 -0.09 -1.14 0.00 0.00 176.83 176.12 1q2r h ARG 167 N -0.78 0.31 -0.39 3.45 9.65 -1.75 -1.29 114.38 123.58 1q2r h ARG 167 Ca -0.02 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.87 1q2r h ARG 167 Cb 0.55 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1q2r h ARG 167 CO 0.03 0.32 0.26 0.00 2.80 0.00 0.00 179.97 183.38 1q2r h ALA 168 N 0.98 1.97 0.01 2.80 0.00 -1.26 0.35 119.26 124.11 1q2r h ALA 168 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1q2r h ALA 168 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1q2r h ALA 168 CO -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 179.25 179.05 1q2r h ALA 169 N 1.79 0.00 -0.22 0.00 0.00 -0.86 -2.32 119.26 117.65 1q2r h ALA 169 Ca 0.17 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1q2r h ALA 169 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1q2r h ALA 169 CO -0.04 0.03 0.14 0.66 0.00 0.00 0.00 179.25 180.04 1q2r h SER 170 N -0.72 0.26 -0.47 0.00 4.64 -0.99 0.00 113.55 116.28 1q2r h SER 170 Ca -0.02 -0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1q2r h SER 170 Cb 1.00 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.96 1q2r h SER 170 CO 0.03 0.23 0.14 -1.28 -0.87 0.00 0.00 176.83 175.08 1q2r h SER 171 N 0.28 0.11 -0.21 4.97 0.87 -1.05 0.76 113.55 119.28 1q2r h SER 171 Ca 0.08 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1q2r h SER 171 Cb 0.01 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1q2r h SER 171 CO -0.02 0.09 0.06 -0.03 -0.53 0.00 0.00 176.83 176.41 1q2r h MET 172 N 0.30 0.33 -0.49 2.24 -1.53 -1.12 -1.55 114.93 113.10 1q2r h MET 172 Ca 0.23 -0.07 -0.07 0.00 -3.44 0.00 0.00 59.70 56.35 1q2r h MET 172 Cb 0.26 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.24 1q2r h MET 172 CO -0.26 0.43 0.03 0.93 0.14 0.00 0.00 176.91 178.18 1q2r h GLU 173 N 0.17 0.80 -0.29 0.39 5.08 -0.58 0.82 114.58 120.97 1q2r h GLU 173 Ca 0.07 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 1q2r h GLU 173 Cb 0.24 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1q2r h GLU 173 CO -0.00 0.79 -0.30 -0.09 -1.00 0.00 0.00 179.01 178.41 1q2r h ARG 174 N 0.76 0.60 -0.30 2.33 2.43 -0.75 -2.18 114.38 117.26 1q2r h ARG 174 Ca 0.15 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1q2r h ARG 174 Cb 0.41 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1q2r h ARG 174 CO 0.01 0.83 0.09 0.77 -1.51 0.00 0.00 179.97 180.16 1q2r h SER 175 N 0.51 0.44 -0.77 -3.80 0.02 -0.30 0.62 113.55 110.28 1q2r h SER 175 Ca 0.06 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1q2r h SER 175 Cb 0.77 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1q2r h SER 175 CO 0.06 0.53 0.51 0.24 -1.14 0.00 0.00 176.83 177.03 1q2r h MET 176 N 0.33 0.95 -0.61 3.45 2.86 -0.66 0.87 114.93 122.12 1q2r h MET 176 Ca 0.10 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 1q2r h MET 176 Cb 0.25 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1q2r h MET 176 CO -0.00 0.63 0.01 0.00 1.06 0.00 0.00 176.91 178.61 1q2r h ARG 177 N 0.98 1.07 -0.02 1.72 3.08 -1.00 -1.77 114.38 118.44 1q2r h ARG 177 Ca 0.30 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1q2r h ARG 177 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1q2r h ARG 177 CO -0.08 1.03 -0.28 -1.49 -1.07 0.00 0.00 179.97 178.09 1q2r h TRP 178 N 0.98 0.04 0.08 3.04 6.55 0.15 -2.42 115.95 124.37 1q2r h TRP 178 Ca 0.18 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 60.01 1q2r h TRP 178 Cb 0.54 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.83 1q2r h TRP 178 CO 0.04 0.32 -0.04 0.00 -1.05 0.00 0.00 178.44 177.71 1q2r h ALA 179 N 1.69 -0.10 -0.49 1.49 0.00 0.15 -0.37 119.26 121.62 1q2r h ALA 179 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1q2r h ALA 179 Cb 0.51 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1q2r h ALA 179 CO 0.04 -0.50 0.25 -0.22 0.00 0.00 0.00 179.25 178.81 1q2r h LYS 180 N -0.21 0.47 -0.95 0.00 1.63 -1.12 0.16 116.57 116.55 1q2r h LYS 180 Ca -0.01 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1q2r h LYS 180 Cb 0.18 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.65 1q2r h LYS 180 CO 0.02 0.31 0.60 0.00 -3.45 0.00 0.00 179.45 176.93 1q2r h ARG 181 N 0.48 1.28 -0.20 1.90 3.08 -1.31 -0.71 114.38 118.91 1q2r h ARG 181 Ca 0.21 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1q2r h ARG 181 Cb 0.12 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1q2r h ARG 181 CO -0.15 0.87 0.10 0.77 -1.07 0.00 0.00 179.97 180.49 1q2r h SER 182 N 1.30 0.25 -0.83 7.04 0.02 0.03 -0.05 113.55 121.31 1q2r h SER 182 Ca 0.35 -0.11 0.08 0.00 -0.84 0.00 0.00 61.79 61.26 1q2r h SER 182 Cb -0.10 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.32 1q2r h SER 182 CO -0.07 0.29 0.54 -0.09 -1.14 0.00 0.00 176.83 176.36 1q2r h ARG 183 N 0.19 0.84 -0.13 3.45 9.65 -0.34 0.10 114.38 128.15 1q2r h ARG 183 Ca 0.07 -0.05 -0.20 0.00 -1.10 0.00 0.00 59.98 58.70 1q2r h ARG 183 Cb 0.10 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 1q2r h ARG 183 CO -0.01 0.56 -0.72 -0.44 2.80 0.00 0.00 179.97 182.16 1q2r h ASP 184 N 0.87 0.68 -0.14 -3.80 3.32 -0.64 -1.70 116.42 115.01 1q2r h ASP 184 Ca 0.37 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1q2r h ASP 184 Cb 0.31 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1q2r h ASP 184 CO -0.14 1.20 0.06 0.00 -1.72 0.00 0.00 179.24 178.64 1q2r h ALA 185 N 0.80 0.18 0.23 3.45 0.00 0.06 -1.65 119.26 122.33 1q2r h ALA 185 Ca -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1q2r h ALA 185 Cb 1.31 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1q2r h ALA 185 CO 0.14 -0.24 -0.34 0.35 0.00 0.00 0.00 179.25 179.16 1q2r h PHE 186 N 0.09 -0.92 0.00 0.00 3.04 -0.80 -2.58 116.94 115.76 1q2r h PHE 186 Ca 0.05 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1q2r h PHE 186 Cb 0.14 0.37 -0.00 0.00 2.56 0.00 0.00 35.95 39.03 1q2r h PHE 186 CO -0.02 -0.46 -0.00 -0.44 -2.02 0.00 0.00 178.31 175.37 1q2r h ASP 187 N -0.63 0.00 0.30 0.41 3.32 -1.22 -2.90 116.42 115.69 1q2r h ASP 187 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1q2r h ASP 187 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1q2r h ASP 187 CO -0.13 0.00 -0.23 0.77 -1.72 0.00 0.00 179.24 177.93 1q2r h SER 188 N 0.00 0.00 -3.21 6.45 4.64 -0.87 -3.38 113.55 117.18 1q2r h SER 188 Ca -0.00 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.58 1q2r h SER 188 Cb 0.21 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.04 1q2r h SER 188 CO 0.00 0.23 -0.31 -0.13 -0.87 0.00 0.00 176.83 175.75 1q2r s ARG 189 N -4.38 2.77 0.45 4.77 0.52 -1.10 -4.92 118.95 117.05 1q2r s ARG 189 Ca -0.03 -1.68 0.11 0.00 -0.52 0.00 0.00 55.73 53.60 1q2r s ARG 189 Cb 0.15 -4.11 1.00 0.00 0.52 0.00 0.00 34.95 32.51 1q2r s ARG 189 CO 0.68 -1.23 2.08 0.87 0.02 0.00 0.00 175.30 177.73 1q2r h LYS 190 N 8.68 0.36 -0.89 3.54 1.57 -1.84 0.10 116.57 128.09 1q2r h LYS 190 Ca -0.26 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1q2r h LYS 190 Cb 1.09 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.25 1q2r h LYS 190 CO 0.94 0.24 0.57 1.49 -0.57 0.00 0.00 179.45 182.12 1q2r h GLU 191 N 0.37 0.72 0.00 3.15 4.22 -1.94 -1.67 114.58 119.42 1q2r h GLU 191 Ca 0.11 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.48 1q2r h GLU 191 Cb 0.01 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1q2r h GLU 191 CO -0.02 0.47 -0.37 0.37 -2.18 0.00 0.00 179.01 177.28 1q2r h GLN 192 N 0.74 0.00 0.00 1.92 4.15 -1.22 -3.36 115.11 117.34 1q2r h GLN 192 Ca 0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.86 1q2r h GLN 192 Cb 0.65 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.34 1q2r h GLN 192 CO -0.20 0.22 0.36 0.00 -1.93 0.00 0.00 178.83 177.27 1q2r h ALA 193 N -0.84 1.34 0.00 3.38 0.00 -0.88 0.10 119.26 122.36 1q2r h ALA 193 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1q2r h ALA 193 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1q2r h ALA 193 CO -0.03 -0.34 -0.98 0.39 0.00 0.00 0.00 179.25 178.29 1q2r n GLU 194 N -2.76 0.28 0.00 0.00 1.02 -0.64 -4.55 120.64 114.00 1q2r n GLU 194 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1q2r n GLU 194 Cb 0.40 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1q2r n GLU 194 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1q2r n ASN 195 N -1.97 4.39 -4.26 1.62 3.02 0.05 -4.87 115.26 113.24 1q2r n ASN 195 Ca 0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.40 1q2r n ASN 195 Cb 0.43 0.80 0.03 0.00 -0.61 0.00 0.00 39.78 40.44 1q2r n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q2r n ALA 196 N -1.40 0.86 -2.66 5.41 0.00 0.13 -4.84 120.51 118.00 1q2r n ALA 196 Ca 0.00 -1.66 -0.17 0.00 0.00 0.00 0.00 53.44 51.60 1q2r n ALA 196 Cb 0.07 0.54 -0.12 0.00 0.00 0.00 0.00 19.45 19.95 1q2r n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q2r s ALA 197 N -2.57 1.17 -0.10 0.00 0.00 0.88 -4.85 121.76 116.29 1q2r s ALA 197 Ca 0.39 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1q2r s ALA 197 Cb -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1q2r s ALA 197 CO 0.25 0.12 -0.19 -1.17 0.00 0.00 0.00 175.76 174.77 1q2r s LEU 198 N -1.90 1.92 0.04 0.00 2.96 -1.26 0.19 118.68 120.62 1q2r s LEU 198 Ca -0.00 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1q2r s LEU 198 Cb -0.09 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 1q2r s LEU 198 CO 0.02 0.09 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.71 1q2r s PHE 199 N 0.60 2.86 0.15 5.38 0.40 -0.23 -0.43 117.98 126.71 1q2r s PHE 199 Ca -0.14 -0.07 0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1q2r s PHE 199 Cb -0.17 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 1q2r s PHE 199 CO 0.04 0.40 0.09 0.20 0.70 0.00 0.00 175.22 176.65 1q2r s GLY 200 N -1.74 1.78 -0.14 4.36 0.00 -0.78 -1.41 107.32 109.38 1q2r s GLY 200 Ca 0.19 -1.21 -0.00 0.00 0.00 0.00 0.00 44.72 43.70 1q2r s GLY 200 CO 0.11 -1.21 -0.14 -0.42 0.00 0.00 0.00 173.10 171.43 1q2r s ILE 201 N -1.66 2.96 0.06 0.90 1.01 -1.26 -0.01 121.20 123.19 1q2r s ILE 201 Ca 0.30 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 60.03 1q2r s ILE 201 Cb -0.10 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 40.06 1q2r s ILE 201 CO 0.22 0.52 0.67 -1.58 0.00 0.00 0.00 174.94 174.77 1q2r s GLN 202 N 0.46 4.39 0.00 2.79 0.74 0.15 -4.86 119.66 123.33 1q2r s GLN 202 Ca -0.10 0.90 0.00 0.00 0.05 0.00 0.00 55.36 56.21 1q2r s GLN 202 Cb -0.16 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.64 1q2r s GLN 202 CO 0.05 0.44 0.00 1.04 -0.55 0.00 0.00 175.29 176.27 1q2r n GLN 203 N 2.33 3.34 0.00 1.67 1.13 -1.26 -0.59 117.38 124.00 1q2r n GLN 203 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1q2r n GLN 203 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.85 1q2r n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1q2r n GLY 204 N 4.17 1.24 7.00 1.08 0.00 -1.26 -4.30 105.19 113.12 1q2r n GLY 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q2r n GLY 204 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q2r n SER 205 N 0.00 0.00 -0.72 1.61 2.88 -1.26 -2.16 113.62 113.96 1q2r n SER 205 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1q2r n SER 205 Cb 0.00 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.64 1q2r n SER 205 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1q2r n VAL 206 N 0.00 1.09 -3.24 2.46 0.24 -1.26 -4.90 118.33 112.72 1q2r n VAL 206 Ca 0.00 -1.06 -0.43 0.00 -2.04 0.00 0.00 64.34 60.81 1q2r n VAL 206 Cb 0.00 0.45 -0.08 0.00 -1.47 0.00 0.00 33.84 32.74 1q2r n VAL 206 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1q2r s PHE 207 N -1.13 3.13 0.35 6.34 0.08 -0.92 -4.94 117.98 120.90 1q2r s PHE 207 Ca 0.27 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 57.11 1q2r s PHE 207 Cb 0.15 -3.06 0.66 0.00 -0.57 0.00 0.00 43.02 40.20 1q2r s PHE 207 CO 0.17 -0.76 1.97 1.05 -0.10 0.00 0.00 175.22 177.55 1q2r h GLU 208 N 8.78 0.82 -0.94 0.44 4.11 -1.92 -0.55 114.58 125.33 1q2r h GLU 208 Ca -0.26 -0.05 0.05 0.00 0.07 0.00 0.00 59.36 59.17 1q2r h GLU 208 Cb 1.11 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 1q2r h GLU 208 CO 0.83 0.54 0.60 -2.95 0.07 0.00 0.00 179.01 178.11 1q2r h ASN 209 N 0.85 0.97 -0.42 3.06 -1.07 -1.95 0.19 115.58 117.20 1q2r h ASN 209 Ca 0.29 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.57 1q2r h ASN 209 Cb 0.10 -0.20 -0.01 0.00 -2.07 0.00 0.00 38.32 36.14 1q2r h ASN 209 CO -0.09 0.64 -0.11 -0.07 0.07 0.00 0.00 177.43 177.87 1q2r h LEU 210 N 1.12 0.83 -0.49 6.14 3.38 -1.54 -2.22 115.31 122.52 1q2r h LEU 210 Ca 0.39 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1q2r h LEU 210 Cb 0.11 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1q2r h LEU 210 CO -0.15 1.00 0.23 0.03 0.09 0.00 0.00 178.44 179.64 1q2r h ARG 211 N 0.64 0.44 0.53 1.13 2.47 0.28 0.31 114.38 120.19 1q2r h ARG 211 Ca 0.11 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.78 1q2r h ARG 211 Cb 0.64 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1q2r h ARG 211 CO 0.04 0.29 -0.37 0.37 0.56 0.00 0.00 179.97 180.87 1q2r h GLN 212 N 0.45 -0.83 -0.79 0.04 5.75 -0.60 -0.21 115.11 118.91 1q2r h GLN 212 Ca 0.22 0.06 0.18 0.00 -0.15 0.00 0.00 58.65 58.96 1q2r h GLN 212 Cb 0.16 0.19 -0.11 0.00 1.07 0.00 0.00 27.48 28.78 1q2r h GLN 212 CO -0.17 -0.56 0.25 0.37 -2.65 0.00 0.00 178.83 176.07 1q2r h GLN 213 N -0.87 0.31 -0.35 1.69 4.15 -0.98 0.79 115.11 119.85 1q2r h GLN 213 Ca -0.06 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1q2r h GLN 213 Cb 0.72 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1q2r h GLN 213 CO 0.04 0.20 0.05 1.03 -1.93 0.00 0.00 178.83 178.22 1q2r h SER 214 N 0.32 0.56 -0.70 -0.69 0.87 -0.58 -2.41 113.55 110.91 1q2r h SER 214 Ca 0.46 -0.26 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 1q2r h SER 214 Cb 0.82 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.58 1q2r h SER 214 CO -0.52 0.68 0.43 0.00 -0.53 0.00 0.00 176.83 176.89 1q2r h ALA 215 N 0.90 0.92 -0.67 6.23 0.00 0.67 -1.38 119.26 125.93 1q2r h ALA 215 Ca 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1q2r h ALA 215 Cb 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1q2r h ALA 215 CO 0.01 0.18 0.11 -0.44 0.00 0.00 0.00 179.25 179.11 1q2r h ASP 216 N 0.83 1.06 -0.44 0.00 3.32 -0.79 0.18 116.42 120.59 1q2r h ASP 216 Ca 0.29 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1q2r h ASP 216 Cb 0.06 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1q2r h ASP 216 CO -0.13 1.05 0.23 0.00 -1.72 0.00 0.00 179.24 178.67 1q2r h ALA 217 N 1.07 0.56 0.14 3.45 0.00 -0.95 -1.00 119.26 122.53 1q2r h ALA 217 Ca 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1q2r h ALA 217 Cb 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1q2r h ALA 217 CO 0.01 0.10 -0.16 -0.07 0.00 0.00 0.00 179.25 179.13 1q2r h LEU 218 N 0.57 -0.44 -1.82 0.00 4.07 -0.95 -1.80 115.31 114.95 1q2r h LEU 218 Ca 0.15 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 1q2r h LEU 218 Cb 0.08 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1q2r h LEU 218 CO -0.02 -0.24 0.04 0.00 -1.08 0.00 0.00 178.44 177.14 1q2r h ALA 219 N 0.47 1.86 -0.31 1.53 0.00 -0.81 -1.00 119.26 121.00 1q2r h ALA 219 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1q2r h ALA 219 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1q2r h ALA 219 CO -0.06 0.12 -0.22 1.49 0.00 0.00 0.00 179.25 180.58 1q2r h GLU 220 N 0.16 0.70 -0.33 0.00 4.57 -0.66 -3.16 114.58 115.85 1q2r h GLU 220 Ca 0.04 -0.33 -0.09 0.00 -1.18 0.00 0.00 59.36 57.80 1q2r h GLU 220 Cb 0.04 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1q2r h GLU 220 CO -0.00 0.94 -0.15 0.82 -1.18 0.00 0.00 179.01 179.43 1q2r h ILE 221 N 0.45 1.29 -0.58 2.32 2.04 -0.87 -3.50 117.51 118.66 1q2r h ILE 221 Ca 0.06 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1q2r h ILE 221 Cb 0.77 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1q2r h ILE 221 CO 0.06 0.41 0.00 0.61 0.00 0.00 0.00 178.15 179.23 1q2r n GLY 222 N -0.06 -0.78 3.12 5.37 0.00 -0.42 -5.12 105.19 107.29 1q2r n GLY 222 Ca -0.03 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 1q2r n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q2r s PHE 223 N 0.00 0.88 0.37 1.61 0.08 -1.26 -5.04 117.98 114.62 1q2r s PHE 223 Ca 0.00 -0.56 0.26 0.00 0.12 0.00 0.00 56.93 56.75 1q2r s PHE 223 Cb 0.00 -0.50 1.32 0.00 -0.57 0.00 0.00 43.02 43.26 1q2r s PHE 223 CO 0.00 -0.04 2.02 -0.44 -0.10 0.00 0.00 175.22 176.65 1q2r h ASP 224 N 4.14 0.00 -5.02 1.36 3.32 -1.14 -3.45 116.42 115.63 1q2r h ASP 224 Ca -0.37 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 1q2r h ASP 224 Cb 1.19 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 1q2r h ASP 224 CO 0.45 0.15 -0.01 -0.83 -1.72 0.00 0.00 179.24 177.28 1q2r s GLY 225 N -4.22 -0.38 -0.12 2.75 0.00 -1.17 -4.50 107.32 99.69 1q2r s GLY 225 Ca -0.02 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.25 1q2r s GLY 225 CO 0.60 0.24 -0.20 -0.19 0.00 0.00 0.00 173.10 173.55 1q2r s TYR 226 N -2.37 2.40 0.14 1.90 1.51 -0.81 -1.87 117.35 118.24 1q2r s TYR 226 Ca -0.06 -1.11 0.06 0.00 -1.01 0.00 0.00 57.07 54.95 1q2r s TYR 226 Cb -0.01 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1q2r s TYR 226 CO -0.01 -0.50 0.04 0.00 -1.11 0.00 0.00 175.55 173.96 1q2r s ALA 227 N 0.70 3.34 -0.28 3.71 0.00 0.99 -1.30 121.76 128.91 1q2r s ALA 227 Ca -0.11 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.57 1q2r s ALA 227 Cb -0.16 -1.18 0.01 0.00 0.00 0.00 0.00 23.12 21.79 1q2r s ALA 227 CO 0.02 0.58 0.05 0.14 0.00 0.00 0.00 175.76 176.54 1q2r s VAL 228 N -1.57 3.71 0.17 0.00 -7.23 0.17 0.33 120.40 115.98 1q2r s VAL 228 Ca 0.28 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.71 1q2r s VAL 228 Cb -0.10 -2.90 0.02 0.00 0.56 0.00 0.00 36.38 33.95 1q2r s VAL 228 CO 0.20 0.12 0.14 0.61 -0.31 0.00 0.00 175.10 175.85 1q2r n GLY 229 N 4.82 2.79 3.44 2.32 0.00 0.24 -2.84 105.19 115.97 1q2r n GLY 229 Ca -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.67 1q2r n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q2r n GLY 230 N 3.01 1.22 3.94 -0.02 0.00 -1.26 -4.64 105.19 107.43 1q2r n GLY 230 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1q2r n GLY 230 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q2r s LEU 231 N 0.00 3.24 -1.39 0.99 1.43 -1.26 -4.54 118.68 117.14 1q2r s LEU 231 Ca 0.00 -0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 52.23 1q2r s LEU 231 Cb 0.00 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1q2r s LEU 231 CO 0.00 -0.90 0.87 0.00 0.23 0.00 0.00 176.35 176.55 1q2r n ALA 232 N -1.78 -1.68 -1.39 4.21 0.00 -1.26 -4.88 120.51 113.73 1q2r n ALA 232 Ca 0.06 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1q2r n ALA 232 Cb 0.62 -3.25 0.11 0.00 0.00 0.00 0.00 19.45 16.92 1q2r n ALA 232 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1q2r n VAL 233 N -4.49 1.43 0.00 0.00 3.14 -1.26 -4.94 118.33 112.21 1q2r n VAL 233 Ca -0.14 -1.82 0.00 0.00 -2.96 0.00 0.00 64.34 59.42 1q2r n VAL 233 Cb 0.61 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 1q2r n VAL 233 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1q2r n GLY 234 N -1.01 1.05 0.16 7.55 0.00 -1.26 -4.50 105.19 107.18 1q2r n GLY 234 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1q2r n GLY 234 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q2r n GLU 235 N 0.00 0.81 -0.04 1.61 0.00 -1.26 -5.01 120.64 116.75 1q2r n GLU 235 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 57.16 56.84 1q2r n GLU 235 Cb 0.00 -1.49 -0.00 0.00 0.00 0.00 0.00 31.44 29.95 1q2r n GLU 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1q2r n GLY 236 N 1.27 -2.72 0.36 -1.84 0.00 -1.26 -3.97 105.19 97.02 1q2r n GLY 236 Ca 0.15 -1.37 0.02 0.00 0.00 0.00 0.00 46.02 44.81 1q2r n GLY 236 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1q2r h GLN 237 N -0.02 1.10 0.17 1.61 4.15 -1.99 -1.08 115.11 119.06 1q2r h GLN 237 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1q2r h GLN 237 Cb 0.03 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 1q2r h GLN 237 CO 0.00 0.73 -0.18 -0.44 -1.93 0.00 0.00 178.83 177.01 1q2r h ASP 238 N 1.13 -0.48 -0.82 -0.69 5.19 -2.00 -0.61 116.42 118.15 1q2r h ASP 238 Ca 0.41 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.88 1q2r h ASP 238 Cb 0.14 0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.78 1q2r h ASP 238 CO -0.16 -0.27 0.55 -0.33 -3.12 0.00 0.00 179.24 175.90 1q2r h GLU 239 N -0.39 1.08 0.45 3.56 4.39 -1.60 -1.85 114.58 120.22 1q2r h GLU 239 Ca 0.00 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1q2r h GLU 239 Cb 0.37 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1q2r h GLU 239 CO -0.05 0.72 -0.24 1.98 -1.16 0.00 0.00 179.01 180.25 1q2r h MET 240 N 1.11 -0.62 -0.00 2.33 4.05 -0.89 -0.11 114.93 120.80 1q2r h MET 240 Ca 0.30 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.77 1q2r h MET 240 Cb -0.12 0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1q2r h MET 240 CO -0.07 -0.41 0.00 0.74 0.23 0.00 0.00 176.91 177.40 1q2r h PHE 241 N -0.64 0.00 -0.09 1.39 0.04 -1.01 0.69 116.94 117.32 1q2r h PHE 241 Ca -0.06 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.51 1q2r h PHE 241 Cb 0.51 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.67 1q2r h PHE 241 CO -0.07 0.00 -0.76 -0.09 -0.60 0.00 0.00 178.31 176.80 1q2r h ARG 242 N 0.00 0.66 -0.36 1.51 2.43 -0.70 -1.88 114.38 116.04 1q2r h ARG 242 Ca 0.00 -0.60 -0.10 0.00 -0.81 0.00 0.00 59.98 58.47 1q2r h ARG 242 Cb 0.00 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1q2r h ARG 242 CO -0.00 1.21 -0.16 0.28 -1.51 0.00 0.00 179.97 179.79 1q2r h VAL 243 N 0.33 1.28 -0.82 0.20 2.07 -0.10 -2.92 116.25 116.30 1q2r h VAL 243 Ca -0.07 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.21 1q2r h VAL 243 Cb 1.41 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 1q2r h VAL 243 CO 0.15 0.42 0.54 -0.07 0.02 0.00 0.00 177.57 178.63 1q2r h LEU 244 N 0.53 0.86 -0.79 2.57 3.38 -0.92 0.52 115.31 121.47 1q2r h LEU 244 Ca 0.08 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.22 1q2r h LEU 244 Cb 0.70 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 1q2r h LEU 244 CO 0.05 0.59 0.25 0.44 0.09 0.00 0.00 178.44 179.86 1q2r h ASP 245 N 1.00 0.13 0.00 -0.43 3.32 -1.13 -2.42 116.42 116.88 1q2r h ASP 245 Ca 0.33 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1q2r h ASP 245 Cb 0.05 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1q2r h ASP 245 CO -0.10 -0.01 -1.61 2.22 -1.72 0.00 0.00 179.24 178.03 1q2r n PHE 246 N -5.11 0.00 0.00 4.55 1.16 -0.95 -4.54 117.46 112.57 1q2r n PHE 246 Ca 0.16 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.57 1q2r n PHE 246 Cb 0.51 -0.32 -0.13 0.00 -1.61 0.00 0.00 39.48 37.93 1q2r n PHE 246 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 1q2r h SER 247 N 0.00 0.34 -0.98 5.98 0.02 -0.59 -3.32 113.55 114.99 1q2r h SER 247 Ca 0.00 -0.87 0.03 0.00 -0.84 0.00 0.00 61.79 60.11 1q2r h SER 247 Cb 0.77 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.14 1q2r h SER 247 CO 0.00 1.18 0.64 0.58 -1.14 0.00 0.00 176.83 178.09 1q2r h VAL 248 N -0.45 1.18 0.00 2.27 2.07 -1.68 -1.50 116.25 118.14 1q2r h VAL 248 Ca -0.07 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1q2r h VAL 248 Cb 1.30 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1q2r h VAL 248 CO 0.09 0.23 0.00 -0.65 0.02 0.00 0.00 177.57 177.26 1q2r h PRO 249 N 1.25 0.00 0.00 1.57 0.11 -1.80 -1.58 132.00 131.56 1q2r h PRO 249 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1q2r h PRO 249 Cb -0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1q2r h PRO 249 CO -0.12 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.34 1q2r n MET 250 N -2.99 0.16 -3.53 1.05 2.81 -0.57 -4.81 117.12 109.24 1q2r n MET 250 Ca -0.01 0.19 -0.32 0.00 -1.81 0.00 0.00 57.70 55.75 1q2r n MET 250 Cb 0.17 -1.71 -0.05 0.00 -0.71 0.00 0.00 33.22 30.93 1q2r n MET 250 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1q2r s LEU 251 N -3.98 4.21 -0.33 4.03 1.43 -0.59 -4.81 118.68 118.64 1q2r s LEU 251 Ca 0.10 0.77 -0.36 0.00 -1.03 0.00 0.00 54.13 53.61 1q2r s LEU 251 Cb 0.13 -3.52 -0.12 0.00 0.03 0.00 0.00 46.19 42.71 1q2r s LEU 251 CO 0.52 -0.02 2.11 -2.65 0.23 0.00 0.00 176.35 176.54 1q2r n PRO 252 N -0.06 1.08 -0.07 1.29 -0.02 -1.26 -4.84 135.00 131.12 1q2r n PRO 252 Ca -0.01 0.32 0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1q2r n PRO 252 Cb 0.52 -2.37 0.49 0.00 -0.02 0.00 0.00 33.50 32.13 1q2r n PRO 252 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1q2r h ASP 253 N 11.35 0.37 -0.07 2.55 3.58 -1.91 -1.99 116.42 130.31 1q2r h ASP 253 Ca -0.30 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1q2r h ASP 253 Cb 1.32 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1q2r h ASP 253 CO 1.01 0.23 0.00 -0.90 -2.88 0.00 0.00 179.24 176.70 1q2r n ASP 254 N -4.47 0.54 -4.56 2.28 5.75 -1.26 -4.81 116.55 110.02 1q2r n ASP 254 Ca 0.09 -1.66 -0.26 0.00 -0.01 0.00 0.00 54.79 52.94 1q2r n ASP 254 Cb 0.33 -0.05 -0.09 0.00 -1.03 0.00 0.00 41.12 40.29 1q2r n ASP 254 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1q2r s LYS 255 N -1.91 2.01 0.32 0.11 -0.14 -0.75 -4.95 119.74 114.43 1q2r s LYS 255 Ca 0.22 -1.34 -0.28 0.00 -1.36 0.00 0.00 55.97 53.21 1q2r s LYS 255 Cb 0.11 -2.11 -0.09 0.00 -1.68 0.00 0.00 37.83 34.06 1q2r s LYS 255 CO 0.17 0.42 1.16 -1.25 -0.76 0.00 0.00 175.35 175.09 1q2r s PRO 256 N -2.95 4.44 -0.23 -1.68 0.04 -1.26 -4.89 135.00 128.46 1q2r s PRO 256 Ca 0.25 1.89 -0.07 0.00 0.04 0.00 0.00 61.00 63.11 1q2r s PRO 256 Cb -0.08 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 1q2r s PRO 256 CO 0.15 -0.00 0.06 -1.01 0.04 0.00 0.00 177.00 176.24 1q2r s HIS 257 N -1.23 3.11 -0.21 0.56 3.76 -1.26 -1.93 115.29 118.09 1q2r s HIS 257 Ca 0.49 -0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 55.04 1q2r s HIS 257 Cb -0.33 -2.20 -0.01 0.00 1.11 0.00 0.00 32.58 31.16 1q2r s HIS 257 CO 0.43 -0.25 -0.07 -0.47 -0.85 0.00 0.00 174.74 173.53 1q2r s TYR 258 N 1.34 2.93 -0.45 1.40 5.04 -0.42 0.61 117.35 127.79 1q2r s TYR 258 Ca 0.05 -0.99 -0.15 0.00 -2.44 0.00 0.00 57.07 53.54 1q2r s TYR 258 Cb -0.15 -2.07 0.06 0.00 0.35 0.00 0.00 41.96 40.16 1q2r s TYR 258 CO 0.03 -0.55 0.37 -1.17 -1.34 0.00 0.00 175.55 172.89 1q2r s LEU 259 N 1.37 5.47 0.29 6.97 2.96 -0.71 0.42 118.68 135.46 1q2r s LEU 259 Ca 0.05 -1.23 -0.29 0.00 -0.22 0.00 0.00 54.13 52.44 1q2r s LEU 259 Cb -0.14 -2.17 -0.10 0.00 0.50 0.00 0.00 46.19 44.28 1q2r s LEU 259 CO -0.04 -0.59 1.19 -0.04 -1.32 0.00 0.00 176.35 175.55 1q2r s MET 260 N 1.64 4.51 -1.34 1.98 -1.94 -1.13 -3.92 119.30 119.11 1q2r s MET 260 Ca 0.04 1.98 -0.05 0.00 -1.71 0.00 0.00 55.69 55.95 1q2r s MET 260 Cb -0.23 -3.14 0.02 0.00 2.01 0.00 0.00 34.83 33.49 1q2r s MET 260 CO 0.07 0.03 0.96 0.41 -0.01 0.00 0.00 175.02 176.48 1q2r n GLY 261 N 1.12 -0.42 2.91 -0.03 0.00 -0.81 -4.85 105.19 103.11 1q2r n GLY 261 Ca -0.00 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1q2r n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q2r s VAL 262 N -3.42 1.15 0.11 1.61 1.01 -0.16 -4.89 120.40 115.81 1q2r s VAL 262 Ca 0.30 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1q2r s VAL 262 Cb -0.14 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1q2r s VAL 262 CO 0.77 0.20 0.06 0.61 0.00 0.00 0.00 175.10 176.74 1q2r n GLY 263 N 4.87 3.78 0.40 4.51 0.00 -1.26 -4.16 105.19 113.34 1q2r n GLY 263 Ca -0.12 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1q2r n GLY 263 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q2r n LYS 264 N -0.23 0.00 -0.01 1.61 4.81 -1.26 -4.56 118.16 118.52 1q2r n LYS 264 Ca 0.00 0.13 -0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1q2r n LYS 264 Cb 0.18 -0.27 -0.00 0.00 0.02 0.00 0.00 35.03 34.95 1q2r n LYS 264 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1q2r n PRO 265 N 0.68 -0.01 0.21 1.64 -0.02 -1.26 0.85 135.00 137.09 1q2r n PRO 265 Ca 0.00 0.05 0.04 0.00 -2.02 0.00 0.00 63.50 61.57 1q2r n PRO 265 Cb 0.00 -0.07 0.45 0.00 -0.02 0.00 0.00 33.50 33.86 1q2r n PRO 265 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1q2r h ASP 266 N 0.00 0.00 0.12 2.55 2.03 -2.00 -2.09 116.42 117.03 1q2r h ASP 266 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.30 1q2r h ASP 266 Cb 0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 1q2r h ASP 266 CO -0.03 0.25 -0.06 0.44 -1.03 0.00 0.00 179.24 178.82 1q2r h ASP 267 N 0.00 -0.14 0.04 4.15 3.45 0.20 -1.95 116.42 122.17 1q2r h ASP 267 Ca -0.00 -0.13 0.02 0.00 0.43 0.00 0.00 57.03 57.34 1q2r h ASP 267 Cb 0.45 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 1q2r h ASP 267 CO 0.03 0.05 -0.13 0.40 -1.57 0.00 0.00 179.24 178.02 1q2r h ILE 268 N -0.32 0.68 -0.77 0.35 2.04 -1.25 0.11 117.51 118.35 1q2r h ILE 268 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 1q2r h ILE 268 Cb 0.26 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 1q2r h ILE 268 CO 0.03 0.00 0.41 0.58 0.00 0.00 0.00 178.15 179.17 1q2r h VAL 269 N -0.24 0.87 -0.33 1.67 2.07 -1.35 0.13 116.25 119.07 1q2r h VAL 269 Ca 0.03 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1q2r h VAL 269 Cb 0.28 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1q2r h VAL 269 CO -0.10 0.13 -0.18 1.23 0.02 0.00 0.00 177.57 178.66 1q2r h GLY 270 N 0.69 0.76 0.94 2.17 0.00 -1.00 -2.09 103.07 104.54 1q2r h GLY 270 Ca 0.37 -0.70 0.02 0.00 0.00 0.00 0.00 47.33 47.03 1q2r h GLY 270 CO -0.26 0.64 0.66 0.00 0.00 0.00 0.00 176.54 177.58 1q2r h ALA 271 N 0.77 1.31 -0.43 3.60 0.00 0.14 -1.27 119.26 123.38 1q2r h ALA 271 Ca 0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1q2r h ALA 271 Cb 0.72 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1q2r h ALA 271 CO 0.05 0.61 -0.05 0.28 0.00 0.00 0.00 179.25 180.14 1q2r h VAL 272 N 1.32 1.24 0.00 0.00 2.07 -0.65 -0.63 116.25 119.60 1q2r h VAL 272 Ca 0.39 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1q2r h VAL 272 Cb -0.08 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1q2r h VAL 272 CO -0.10 0.36 0.00 -0.33 0.02 0.00 0.00 177.57 177.52 1q2r h GLU 273 N 0.68 0.00 -0.50 1.57 5.08 -0.53 -1.79 114.58 119.09 1q2r h GLU 273 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1q2r h GLU 273 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1q2r h GLU 273 CO 0.03 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 1q2r n ARG 274 N -2.98 3.15 -0.10 2.33 1.74 -0.30 -4.06 116.66 116.43 1q2r n ARG 274 Ca -0.01 -2.56 0.00 0.00 -0.77 0.00 0.00 57.85 54.51 1q2r n ARG 274 Cb 0.15 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1q2r n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q2r n GLY 275 N 0.76 0.92 3.78 -0.13 0.00 -0.67 -4.81 105.19 105.03 1q2r n GLY 275 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1q2r n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q2r s ILE 276 N -2.02 3.97 -0.06 -0.61 -1.09 -0.85 -4.63 121.20 115.91 1q2r s ILE 276 Ca 0.00 1.68 0.09 0.00 -2.23 0.00 0.00 60.65 60.19 1q2r s ILE 276 Cb 0.00 -3.95 -0.13 0.00 -1.58 0.00 0.00 42.46 36.80 1q2r s ILE 276 CO 0.00 0.17 0.11 0.47 -1.23 0.00 0.00 174.94 174.46 1q2r n ASP 277 N 0.56 2.69 -4.06 3.58 8.00 0.20 -4.55 116.55 122.98 1q2r n ASP 277 Ca 0.02 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.38 1q2r n ASP 277 Cb 0.49 1.04 -0.12 0.00 -0.02 0.00 0.00 41.12 42.51 1q2r n ASP 277 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1q2r s MET 278 N -2.43 0.54 0.03 -1.24 -1.94 -0.92 -1.01 119.30 112.33 1q2r s MET 278 Ca -0.04 -0.71 -0.00 0.00 -1.71 0.00 0.00 55.69 53.23 1q2r s MET 278 Cb 0.04 -0.34 -0.02 0.00 2.01 0.00 0.00 34.83 36.52 1q2r s MET 278 CO 0.40 0.07 -0.03 -0.06 -0.01 0.00 0.00 175.02 175.38 1q2r s PHE 279 N -1.23 0.33 -0.09 -0.03 0.40 -0.30 -1.74 117.98 115.32 1q2r s PHE 279 Ca -0.08 -0.63 -0.06 0.00 -0.60 0.00 0.00 56.93 55.56 1q2r s PHE 279 Cb -0.09 -0.24 0.03 0.00 0.51 0.00 0.00 43.02 43.23 1q2r s PHE 279 CO 0.00 -0.22 0.21 0.16 0.70 0.00 0.00 175.22 176.08 1q2r s ASP 280 N -1.74 -0.22 -0.17 1.36 -4.77 -1.26 0.18 116.67 110.06 1q2r s ASP 280 Ca -0.11 0.44 -0.29 0.00 -3.30 0.00 0.00 52.55 49.29 1q2r s ASP 280 Cb -0.07 0.39 0.10 0.00 -1.09 0.00 0.00 42.92 42.25 1q2r s ASP 280 CO -0.03 -0.11 0.87 0.00 0.70 0.00 0.00 175.17 176.60 1q2r n VAL 282 N 1.36 0.39 -0.40 0.00 0.24 -1.26 -4.20 118.33 114.46 1q2r n VAL 282 Ca -0.14 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 61.80 1q2r n VAL 282 Cb 0.57 -0.19 -0.05 0.00 -1.47 0.00 0.00 33.84 32.69 1q2r n VAL 282 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1q2r n LEU 283 N -2.14 -0.91 -0.36 1.34 7.94 -1.26 -0.74 117.00 120.86 1q2r n LEU 283 Ca 0.04 1.74 0.01 0.00 -1.11 0.00 0.00 56.01 56.68 1q2r n LEU 283 Cb 0.44 -0.28 0.16 0.00 0.53 0.00 0.00 43.42 44.27 1q2r n LEU 283 CO 0.36 -1.46 1.28 1.55 -1.11 0.00 0.00 177.39 178.00 1q2r h PRO 284 N 0.00 1.20 0.06 1.96 0.13 -1.92 -0.80 132.00 132.62 1q2r h PRO 284 Ca 0.22 -0.07 -0.20 0.00 -0.87 0.00 0.00 66.00 65.07 1q2r h PRO 284 Cb 0.46 -0.27 0.02 0.00 0.13 0.00 0.00 31.00 31.34 1q2r h PRO 284 CO -0.94 0.79 -0.84 1.79 -0.23 0.00 0.00 178.00 178.58 1q2r h THR 285 N 1.23 1.40 -0.22 1.56 1.35 -1.48 -2.48 112.91 114.28 1q2r h THR 285 Ca 0.40 -2.28 -0.05 0.00 -0.55 0.00 0.00 66.41 63.93 1q2r h THR 285 Cb 0.05 2.74 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 1q2r h THR 285 CO -0.13 0.67 -0.05 -0.09 -0.25 0.00 0.00 175.52 175.67 1q2r h ARG 286 N -0.03 0.43 -0.66 4.72 2.43 -0.90 -2.54 114.38 117.82 1q2r h ARG 286 Ca -0.12 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 1q2r h ARG 286 Cb 1.56 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.05 1q2r h ARG 286 CO 0.16 0.66 0.31 0.77 -1.51 0.00 0.00 179.97 180.36 1q2r h SER 287 N 0.16 0.85 -0.79 -3.80 0.02 -1.26 -1.38 113.55 107.34 1q2r h SER 287 Ca 0.06 -0.09 0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1q2r h SER 287 Cb 0.50 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 1q2r h SER 287 CO 0.02 0.73 0.48 1.23 -1.14 0.00 0.00 176.83 178.15 1q2r h GLY 288 N 1.01 1.18 1.88 -3.77 0.00 -1.28 0.15 103.07 102.24 1q2r h GLY 288 Ca 0.23 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1q2r h GLY 288 CO -0.03 0.24 -0.39 3.21 0.00 0.00 0.00 176.54 179.57 1q2r h ARG 289 N 0.89 0.14 0.00 4.80 3.08 -0.88 -2.97 114.38 119.45 1q2r h ARG 289 Ca 0.34 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1q2r h ARG 289 Cb 0.15 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1q2r h ARG 289 CO -0.16 0.52 -0.40 0.09 -1.07 0.00 0.00 179.97 178.95 1q2r n ASN 290 N -4.05 0.44 0.00 7.04 3.02 -0.50 -4.85 115.26 116.36 1q2r n ASN 290 Ca -0.02 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1q2r n ASN 290 Cb 0.45 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1q2r n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q2r n GLY 291 N 1.46 0.74 3.64 7.41 0.00 0.17 -4.96 105.19 113.65 1q2r n GLY 291 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1q2r n GLY 291 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1q2r s GLN 292 N -0.57 4.12 -0.02 1.61 0.74 0.29 -1.56 119.66 124.27 1q2r s GLN 292 Ca 0.00 0.32 0.02 0.00 0.05 0.00 0.00 55.36 55.75 1q2r s GLN 292 Cb 0.00 -3.61 -0.03 0.00 1.10 0.00 0.00 33.01 30.47 1q2r s GLN 292 CO 0.00 -0.23 -0.06 0.00 -0.55 0.00 0.00 175.29 174.44 1q2r s ALA 293 N 1.92 3.02 -0.15 1.58 0.00 -0.12 -3.52 121.76 124.49 1q2r s ALA 293 Ca 0.21 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1q2r s ALA 293 Cb -0.15 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 1q2r s ALA 293 CO 0.09 0.60 0.20 -0.06 0.00 0.00 0.00 175.76 176.59 1q2r s PHE 294 N -0.93 3.50 0.18 0.00 0.08 -1.26 -0.93 117.98 118.62 1q2r s PHE 294 Ca 0.15 0.51 -0.03 0.00 0.12 0.00 0.00 56.93 57.69 1q2r s PHE 294 Cb -0.11 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.15 1q2r s PHE 294 CO 0.05 0.43 0.15 0.95 -0.10 0.00 0.00 175.22 176.71 1q2r s THR 295 N -0.12 0.03 -0.70 0.64 -4.23 -0.92 -4.83 115.64 105.50 1q2r s THR 295 Ca 0.13 -1.88 0.10 0.00 -1.18 0.00 0.00 61.69 58.87 1q2r s THR 295 Cb -0.12 -2.29 0.10 0.00 1.34 0.00 0.00 72.50 71.52 1q2r s THR 295 CO 0.02 -0.16 1.32 0.79 -0.54 0.00 0.00 174.62 176.05 1q2r n TRP 296 N -0.22 0.30 -2.07 3.99 7.02 -1.26 -1.74 117.44 123.46 1q2r n TRP 296 Ca -0.01 0.15 -0.28 0.00 -1.02 0.00 0.00 57.50 56.34 1q2r n TRP 296 Cb 0.65 -0.74 0.02 0.00 -2.42 0.00 0.00 31.31 28.82 1q2r n TRP 296 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1q2r n ASP 297 N -1.80 5.45 0.00 -0.99 8.00 -1.26 -3.28 116.55 122.66 1q2r n ASP 297 Ca 0.00 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.75 1q2r n ASP 297 Cb 0.04 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 1q2r n ASP 297 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q2r n GLY 298 N -0.65 -2.30 3.87 0.44 0.00 -0.71 -4.01 105.19 101.82 1q2r n GLY 298 Ca 0.46 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 1q2r n GLY 298 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1q2r s PRO 299 N -0.77 3.69 -0.07 1.61 0.02 -1.26 -2.18 135.00 136.05 1q2r s PRO 299 Ca 0.00 0.71 -0.05 0.00 0.02 0.00 0.00 61.00 61.69 1q2r s PRO 299 Cb 0.00 -2.15 0.03 0.00 0.02 0.00 0.00 34.50 32.39 1q2r s PRO 299 CO 0.00 -0.41 0.17 0.96 -0.33 0.00 0.00 177.00 177.38 1q2r s ILE 300 N -2.93 -0.02 -0.51 2.83 -4.36 -0.10 -4.93 121.20 111.18 1q2r s ILE 300 Ca 0.55 0.06 -0.21 0.00 -0.26 0.00 0.00 60.65 60.79 1q2r s ILE 300 Cb -0.11 -0.25 0.05 0.00 1.25 0.00 0.00 42.46 43.40 1q2r s ILE 300 CO 0.46 0.03 0.73 0.21 0.24 0.00 0.00 174.94 176.60 1q2r s ASN 301 N 0.50 6.28 0.63 4.36 3.84 -1.26 -0.95 114.94 128.35 1q2r s ASN 301 Ca -0.03 -0.62 0.41 0.00 0.21 0.00 0.00 52.86 52.83 1q2r s ASN 301 Cb -0.05 -2.34 2.13 0.00 -0.55 0.00 0.00 41.25 40.44 1q2r s ASN 301 CO -0.02 -0.97 2.27 -0.29 -2.79 0.00 0.00 177.10 175.29 1q2r h ILE 302 N 5.92 0.05 0.00 -5.21 6.09 -1.67 -1.95 117.51 120.74 1q2r h ILE 302 Ca -0.27 -0.14 -0.04 0.00 -1.37 0.00 0.00 64.86 63.04 1q2r h ILE 302 Cb 1.09 1.13 -0.01 0.00 0.47 0.00 0.00 36.82 39.50 1q2r h ILE 302 CO 0.99 0.01 -0.21 0.03 -3.07 0.00 0.00 178.15 175.90 1q2r h ARG 303 N 0.00 0.00 -6.49 2.19 -0.00 -1.90 -3.42 114.38 104.76 1q2r h ARG 303 Ca -0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.89 1q2r h ARG 303 Cb 0.13 0.00 0.15 0.00 0.00 0.00 0.00 29.97 30.25 1q2r h ARG 303 CO 0.00 0.21 -0.23 0.09 0.00 0.00 0.00 179.97 180.03 1q2r n ASN 304 N -3.62 -0.33 -0.33 7.04 5.03 -0.73 -4.88 115.26 117.44 1q2r n ASN 304 Ca -0.01 0.88 0.05 0.00 0.87 0.00 0.00 54.58 56.36 1q2r n ASN 304 Cb 0.34 -1.20 0.24 0.00 -1.02 0.00 0.00 39.78 38.13 1q2r n ASN 304 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1q2r h ALA 305 N 0.77 1.51 0.00 5.41 0.00 -1.90 -2.61 119.26 122.44 1q2r h ALA 305 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1q2r h ALA 305 Cb 1.38 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1q2r h ALA 305 CO 0.51 0.32 0.03 2.89 0.00 0.00 0.00 179.25 183.00 1q2r n ARG 306 N -4.52 0.00 0.00 0.00 1.85 -1.26 -1.58 116.66 111.15 1q2r n ARG 306 Ca 0.15 0.17 0.05 0.00 -1.00 0.00 0.00 57.85 57.22 1q2r n ARG 306 Cb 0.25 -1.53 0.01 0.00 -1.05 0.00 0.00 32.46 30.14 1q2r n ARG 306 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1q2r n PHE 307 N -1.12 0.00 -0.24 2.89 3.72 -0.98 -4.52 117.46 117.20 1q2r n PHE 307 Ca 0.00 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.56 1q2r n PHE 307 Cb 0.03 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.03 1q2r n PHE 307 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1q2r h SER 308 N 1.46 0.50 0.00 4.37 4.64 -1.46 -2.87 113.55 120.18 1q2r h SER 308 Ca 0.00 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1q2r h SER 308 Cb 0.38 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 62.35 1q2r h SER 308 CO 0.00 0.22 -0.45 -0.62 -0.87 0.00 0.00 176.83 175.11 1q2r n GLU 309 N -4.54 1.01 -2.89 4.77 1.02 -1.26 -4.67 120.64 114.08 1q2r n GLU 309 Ca 0.18 -2.56 -0.43 0.00 -0.02 0.00 0.00 57.16 54.33 1q2r n GLU 309 Cb 0.60 -1.15 -0.04 0.00 -0.02 0.00 0.00 31.44 30.83 1q2r n GLU 309 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1q2r s ASP 310 N -2.62 6.23 0.58 1.62 -1.08 -1.09 -4.90 116.67 115.41 1q2r s ASP 310 Ca 0.31 -0.77 0.36 0.00 -0.52 0.00 0.00 52.55 51.92 1q2r s ASP 310 Cb 0.30 -2.41 1.74 0.00 -1.46 0.00 0.00 42.92 41.10 1q2r s ASP 310 CO -0.05 -1.31 2.14 -0.07 0.52 0.00 0.00 175.17 176.40 1q2r h LEU 311 N 11.03 0.00-10.18 -1.34 -0.00 -1.95 -1.67 115.31 111.20 1q2r h LEU 311 Ca -0.28 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.06 1q2r h LEU 311 Cb 1.07 0.00 0.17 0.00 -0.00 0.00 0.00 40.66 41.90 1q2r h LEU 311 CO 1.13 0.03 0.39 -0.54 -0.00 0.00 0.00 178.44 179.45 1q2r s LYS 312 N -3.95 2.01 0.95 1.13 1.02 -1.26 -4.32 119.74 115.31 1q2r s LYS 312 Ca -0.02 1.80 -0.13 0.00 0.02 0.00 0.00 55.97 57.64 1q2r s LYS 312 Cb 0.11 -1.81 0.16 0.00 -0.52 0.00 0.00 37.83 35.77 1q2r s LYS 312 CO 0.51 -1.95 1.13 -1.25 -0.92 0.00 0.00 175.35 172.88 1q2r s PRO 313 N -3.93 0.83 0.21 -1.68 0.04 -1.26 -0.63 135.00 128.57 1q2r s PRO 313 Ca 0.75 0.30 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 1q2r s PRO 313 Cb -0.30 -1.80 0.27 0.00 0.04 0.00 0.00 34.50 32.71 1q2r s PRO 313 CO 0.47 -2.41 1.68 -0.07 0.04 0.00 0.00 177.00 176.70 1q2r h LEU 314 N -1.65 -0.17 -8.10 -3.56 3.38 -1.90 -3.42 115.31 99.90 1q2r h LEU 314 Ca -0.51 0.13 -0.40 0.00 0.09 0.00 0.00 57.88 57.19 1q2r h LEU 314 Cb 1.33 0.22 -0.28 0.00 0.09 0.00 0.00 40.66 42.02 1q2r h LEU 314 CO 0.59 -0.06 -0.78 -0.62 0.09 0.00 0.00 178.44 177.66 1q2r s ASP 315 N -5.26 1.16 0.29 -0.43 2.15 -1.26 -4.96 116.67 108.36 1q2r s ASP 315 Ca -0.13 -0.24 0.05 0.00 0.43 0.00 0.00 52.55 52.66 1q2r s ASP 315 Cb 0.18 -0.11 0.42 0.00 -0.30 0.00 0.00 42.92 43.11 1q2r s ASP 315 CO 0.73 0.08 1.69 0.77 -0.17 0.00 0.00 175.17 178.27 1q2r h SER 316 N 5.67 0.31 0.07 -0.34 4.64 -1.97 -3.32 113.55 118.61 1q2r h SER 316 Ca -0.32 -0.13 -0.29 0.00 -0.47 0.00 0.00 61.79 60.58 1q2r h SER 316 Cb 1.18 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1q2r h SER 316 CO 0.48 0.68 -1.57 -0.33 -0.87 0.00 0.00 176.83 175.22 1q2r h GLU 317 N 0.25 0.15 -3.28 4.77 4.39 -1.98 -3.49 114.58 115.39 1q2r h GLU 317 Ca 0.02 -0.26 -0.47 0.00 0.34 0.00 0.00 59.36 58.99 1q2r h GLU 317 Cb 0.82 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1q2r h GLU 317 CO 0.06 1.12 0.42 0.00 -1.16 0.00 0.00 179.01 179.46 1q2r n HIS 319 N 2.43 0.00 -1.34 0.00 8.25 -1.26 -4.76 115.22 118.54 1q2r n HIS 319 Ca 0.19 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.28 1q2r n HIS 319 Cb -0.03 -0.33 0.07 0.00 1.12 0.00 0.00 29.99 30.82 1q2r n HIS 319 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q2r h ALA 321 N -0.18 1.23 -0.28 0.00 0.00 -1.94 -2.40 119.26 115.68 1q2r h ALA 321 Ca -0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1q2r h ALA 321 Cb 1.35 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1q2r h ALA 321 CO 0.45 0.67 0.17 0.28 0.00 0.00 0.00 179.25 180.82 1q2r h VAL 322 N 1.32 1.10 0.00 0.00 2.07 -1.91 -2.60 116.25 116.23 1q2r h VAL 322 Ca 0.35 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1q2r h VAL 322 Cb -0.08 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1q2r h VAL 322 CO -0.07 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1q2r h GLN 324 N 0.00 0.00 0.00 0.00 1.08 -1.04 -3.44 115.11 111.71 1q2r h GLN 324 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1q2r h GLN 324 Cb 0.30 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1q2r h GLN 324 CO 0.00 0.00 -0.61 1.17 -0.95 0.00 0.00 178.83 178.44 1q2r n LYS 325 N -2.64 0.06 -3.60 1.46 4.81 -0.91 -5.09 118.16 112.26 1q2r n LYS 325 Ca 0.01 0.03 -0.30 0.00 -0.87 0.00 0.00 58.31 57.17 1q2r n LYS 325 Cb 0.53 -0.61 -0.04 0.00 0.02 0.00 0.00 35.03 34.94 1q2r n LYS 325 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1q2r s TRP 326 N -2.08 3.47 0.49 5.64 0.51 -0.33 -5.11 118.94 121.53 1q2r s TRP 326 Ca -0.04 0.56 0.03 0.00 -2.12 0.00 0.00 56.10 54.53 1q2r s TRP 326 Cb 0.01 -2.02 0.02 0.00 -0.81 0.00 0.00 33.47 30.67 1q2r s TRP 326 CO 0.05 0.37 0.69 -1.54 -0.51 0.00 0.00 176.95 176.00 1q2r s SER 327 N -2.69 5.53 0.34 2.95 1.04 -1.26 -4.56 113.70 115.05 1q2r s SER 327 Ca 0.42 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.84 1q2r s SER 327 Cb -0.12 -1.00 0.60 0.00 0.10 0.00 0.00 66.02 65.60 1q2r s SER 327 CO 0.26 -0.92 1.91 0.03 0.98 0.00 0.00 173.24 175.50 1q2r h ARG 328 N 0.32 0.62 -0.84 4.02 3.08 -0.57 -2.01 114.38 119.00 1q2r h ARG 328 Ca -0.43 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.50 1q2r h ARG 328 Cb 1.28 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1q2r h ARG 328 CO 0.52 0.56 0.47 0.00 -1.07 0.00 0.00 179.97 180.46 1q2r h ALA 329 N 1.52 1.25 -0.07 0.04 0.00 -1.30 0.51 119.26 121.22 1q2r h ALA 329 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1q2r h ALA 329 Cb 0.22 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1q2r h ALA 329 CO -0.01 0.61 -0.07 -0.92 0.00 0.00 0.00 179.25 178.87 1q2r h TYR 330 N 1.17 0.20 -0.17 0.00 3.20 -1.69 -2.14 116.97 117.54 1q2r h TYR 330 Ca 0.30 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 1q2r h TYR 330 Cb 0.00 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1q2r h TYR 330 CO 0.01 0.61 -0.06 0.82 -1.64 0.00 0.00 178.16 177.90 1q2r h ILE 331 N -0.27 1.15 0.70 1.81 2.04 -1.17 -1.03 117.51 120.74 1q2r h ILE 331 Ca 0.01 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 1q2r h ILE 331 Cb 0.57 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1q2r h ILE 331 CO 0.02 0.20 -0.34 -0.74 0.00 0.00 0.00 178.15 177.29 1q2r h HIS 332 N 0.25 -0.87 -0.29 1.37 2.76 0.12 -2.16 115.15 116.33 1q2r h HIS 332 Ca 0.06 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1q2r h HIS 332 Cb 0.27 0.29 -0.08 0.00 1.55 0.00 0.00 27.41 29.44 1q2r h HIS 332 CO 0.00 -0.52 -0.37 1.25 -1.30 0.00 0.00 177.93 177.00 1q2r h HIS 333 N -1.07 -1.03 -0.31 5.26 -0.00 -1.05 -1.94 115.15 115.01 1q2r h HIS 333 Ca -0.10 0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.37 1q2r h HIS 333 Cb 0.75 0.50 -0.06 0.00 -0.00 0.00 0.00 27.41 28.59 1q2r h HIS 333 CO -0.01 -0.42 -0.45 -0.07 -0.00 0.00 0.00 177.93 176.98 1q2r h LEU 334 N -0.35 -1.51 -0.64 0.26 4.07 -1.10 0.25 115.31 116.30 1q2r h LEU 334 Ca 0.13 0.20 0.07 0.00 0.08 0.00 0.00 57.88 58.35 1q2r h LEU 334 Cb 0.57 0.61 -0.06 0.00 1.08 0.00 0.00 40.66 42.86 1q2r h LEU 334 CO -0.48 -0.34 0.33 0.40 -1.08 0.00 0.00 178.44 177.27 1q2r h ILE 335 N -0.34 0.92 -0.89 1.22 1.08 -1.24 -1.11 117.51 117.15 1q2r h ILE 335 Ca 0.05 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1q2r h ILE 335 Cb 0.49 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.47 1q2r h ILE 335 CO -0.47 0.11 0.49 0.03 -0.69 0.00 0.00 178.15 177.62 1q2r h ARG 336 N 0.60 1.25 0.00 2.37 3.08 -0.71 -2.46 114.38 118.51 1q2r h ARG 336 Ca 0.29 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1q2r h ARG 336 Cb 0.23 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1q2r h ARG 336 CO -0.21 0.92 -0.03 0.00 -1.07 0.00 0.00 179.97 179.58 1q2r h ALA 337 N 1.28 1.00 0.00 0.04 0.00 0.44 -3.47 119.26 118.55 1q2r h ALA 337 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1q2r h ALA 337 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1q2r h ALA 337 CO -0.05 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1q2r n GLY 338 N 0.36 0.79 3.73 0.00 0.00 -0.51 -5.04 105.19 104.50 1q2r n GLY 338 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1q2r n GLY 338 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q2r s GLU 339 N -0.76 4.27 0.32 1.61 0.41 -0.84 -4.93 118.70 118.78 1q2r s GLU 339 Ca 0.00 2.24 0.00 0.00 -0.41 0.00 0.00 54.97 56.80 1q2r s GLU 339 Cb 0.00 -3.17 0.54 0.00 -1.78 0.00 0.00 34.13 29.72 1q2r s GLU 339 CO 0.00 -0.49 1.98 0.82 -0.49 0.00 0.00 175.26 177.08 1q2r h ILE 340 N 3.94 1.17 -0.81 -1.63 2.04 -1.96 -0.91 117.51 119.34 1q2r h ILE 340 Ca -0.43 -0.34 0.14 0.00 1.00 0.00 0.00 64.86 65.22 1q2r h ILE 340 Cb 1.21 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1q2r h ILE 340 CO 0.86 0.18 0.53 0.25 0.00 0.00 0.00 178.15 179.97 1q2r h LEU 341 N 1.00 0.53 -0.43 1.44 5.85 -1.95 0.49 115.31 122.23 1q2r h LEU 341 Ca 0.29 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.10 1q2r h LEU 341 Cb -0.05 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1q2r h LEU 341 CO -0.07 0.28 0.13 1.23 -0.34 0.00 0.00 178.44 179.66 1q2r h GLY 342 N 0.57 0.54 0.93 3.75 0.00 -1.46 0.31 103.07 107.70 1q2r h GLY 342 Ca 0.40 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 1q2r h GLY 342 CO -0.16 -0.01 0.07 0.00 0.00 0.00 0.00 176.54 176.45 1q2r h ALA 343 N 1.30 0.50 0.09 3.60 0.00 -1.00 -1.60 119.26 122.15 1q2r h ALA 343 Ca 0.21 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1q2r h ALA 343 Cb 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1q2r h ALA 343 CO -0.23 0.20 -0.27 0.52 0.00 0.00 0.00 179.25 179.46 1q2r h MET 344 N 0.46 -0.45 0.03 0.00 2.07 -0.24 -0.21 114.93 116.59 1q2r h MET 344 Ca 0.12 0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.77 1q2r h MET 344 Cb 0.34 0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.18 1q2r h MET 344 CO 0.01 -0.30 -0.01 -0.07 1.07 0.00 0.00 176.91 177.60 1q2r h LEU 345 N -0.47 -0.03 -0.27 1.22 4.07 -0.38 -1.41 115.31 118.04 1q2r h LEU 345 Ca 0.04 -0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.04 1q2r h LEU 345 Cb 0.51 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.22 1q2r h LEU 345 CO -0.18 -0.02 0.02 0.24 -1.08 0.00 0.00 178.44 177.42 1q2r h MET 346 N -0.04 0.10 -0.17 1.13 2.86 -1.13 -1.94 114.93 115.75 1q2r h MET 346 Ca -0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1q2r h MET 346 Cb 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1q2r h MET 346 CO 0.01 0.07 0.08 1.15 1.06 0.00 0.00 176.91 179.28 1q2r h THR 347 N 0.11 1.13 -0.78 2.22 2.02 -0.92 -0.69 112.91 115.99 1q2r h THR 347 Ca 0.13 -0.37 0.12 0.00 0.77 0.00 0.00 66.41 67.06 1q2r h THR 347 Cb 0.16 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.54 1q2r h THR 347 CO -0.20 0.12 0.39 -0.08 0.37 0.00 0.00 175.52 176.12 1q2r h GLU 348 N 0.15 0.59 0.27 6.66 4.81 -1.03 -0.88 114.58 125.15 1q2r h GLU 348 Ca 0.06 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1q2r h GLU 348 Cb 0.12 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1q2r h GLU 348 CO -0.01 0.39 -0.13 1.25 -0.73 0.00 0.00 179.01 179.78 1q2r h HIS 349 N 0.61 -0.33 -0.92 0.92 2.76 -0.96 -1.03 115.15 116.19 1q2r h HIS 349 Ca 0.41 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.70 1q2r h HIS 349 Cb 0.51 0.11 -0.08 0.00 1.55 0.00 0.00 27.41 29.50 1q2r h HIS 349 CO -0.11 -0.04 0.59 -0.91 -1.30 0.00 0.00 177.93 176.16 1q2r h ASN 350 N -0.61 0.74 0.47 3.26 2.35 -0.64 0.12 115.58 121.27 1q2r h ASN 350 Ca -0.04 0.04 -0.22 0.00 -0.55 0.00 0.00 56.30 55.54 1q2r h ASN 350 Cb 0.44 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1q2r h ASN 350 CO 0.06 0.38 -0.94 0.40 -1.65 0.00 0.00 177.43 175.67 1q2r h ILE 351 N 0.78 1.45 -0.23 2.81 2.04 -1.11 -1.19 117.51 122.07 1q2r h ILE 351 Ca 0.46 -2.58 -0.16 0.00 1.00 0.00 0.00 64.86 63.58 1q2r h ILE 351 Cb 0.65 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 1q2r h ILE 351 CO -0.23 0.76 -0.50 0.00 0.00 0.00 0.00 178.15 178.19 1q2r h ALA 352 N 0.83 0.69 -0.37 1.87 0.00 -0.49 -1.46 119.26 120.32 1q2r h ALA 352 Ca -0.07 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1q2r h ALA 352 Cb 1.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1q2r h ALA 352 CO 0.15 0.68 0.15 0.35 0.00 0.00 0.00 179.25 180.58 1q2r h PHE 353 N 0.50 0.56 -0.33 0.00 3.57 -0.73 0.33 116.94 120.84 1q2r h PHE 353 Ca 0.02 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1q2r h PHE 353 Cb 1.04 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1q2r h PHE 353 CO 0.05 0.51 0.21 1.88 -2.23 0.00 0.00 178.31 178.72 1q2r h TYR 354 N 0.45 0.43 -0.14 0.41 -1.99 -1.03 0.28 116.97 115.38 1q2r h TYR 354 Ca 0.12 0.01 -0.20 0.00 2.00 0.00 0.00 58.73 60.66 1q2r h TYR 354 Cb 0.18 -0.14 0.01 0.00 2.00 0.00 0.00 36.73 38.78 1q2r h TYR 354 CO -0.00 0.28 -0.68 1.96 -0.00 0.00 0.00 178.16 179.72 1q2r h GLN 355 N 0.46 0.71 -0.61 4.88 1.08 -0.24 -2.12 115.11 119.27 1q2r h GLN 355 Ca 0.12 -0.57 -0.07 0.00 -1.45 0.00 0.00 58.65 56.68 1q2r h GLN 355 Cb -0.03 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1q2r h GLN 355 CO -0.02 1.19 0.10 1.96 -0.95 0.00 0.00 178.83 181.11 1q2r h GLN 356 N 0.40 0.97 -0.76 1.46 4.20 0.41 0.98 115.11 122.77 1q2r h GLN 356 Ca -0.05 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.38 1q2r h GLN 356 Cb 1.32 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.94 1q2r h GLN 356 CO 0.14 0.90 0.30 1.25 -0.67 0.00 0.00 178.83 180.75 1q2r h LEU 357 N 0.92 1.04 -0.86 1.46 5.85 -0.46 -0.72 115.31 122.54 1q2r h LEU 357 Ca 0.19 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 1q2r h LEU 357 Cb 0.39 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1q2r h LEU 357 CO 0.01 0.92 -0.42 0.24 -0.34 0.00 0.00 178.44 178.85 1q2r h MET 358 N 1.10 0.31 -0.38 1.25 2.86 -0.63 -0.73 114.93 118.71 1q2r h MET 358 Ca 0.25 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1q2r h MET 358 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1q2r h MET 358 CO -0.02 0.68 0.06 0.37 1.06 0.00 0.00 176.91 179.06 1q2r h GLN 359 N 0.25 0.63 0.00 1.72 5.75 -0.30 -1.56 115.11 121.61 1q2r h GLN 359 Ca 0.02 -0.17 -0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1q2r h GLN 359 Cb 0.86 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.33 1q2r h GLN 359 CO 0.07 0.69 -0.00 0.87 -2.65 0.00 0.00 178.83 177.81 1q2r h LYS 360 N 0.48 -0.00 -0.55 1.69 1.79 -0.83 -0.96 116.57 118.18 1q2r h LYS 360 Ca 0.12 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.66 1q2r h LYS 360 Cb 0.36 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1q2r h LYS 360 CO 0.01 0.06 0.37 0.82 -1.08 0.00 0.00 179.45 179.62 1q2r h ILE 361 N -0.06 0.96 -0.02 1.86 2.04 -1.04 -0.85 117.51 120.39 1q2r h ILE 361 Ca -0.00 -0.16 -0.22 0.00 1.00 0.00 0.00 64.86 65.48 1q2r h ILE 361 Cb 0.06 0.45 0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1q2r h ILE 361 CO 0.00 0.09 -0.85 0.03 0.00 0.00 0.00 178.15 177.42 1q2r h ARG 362 N 0.47 0.62 -0.44 2.37 3.08 -0.85 -3.05 114.38 116.57 1q2r h ARG 362 Ca 0.24 -0.63 -0.08 0.00 0.07 0.00 0.00 59.98 59.58 1q2r h ARG 362 Cb 0.36 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1q2r h ARG 362 CO -0.07 1.24 -0.06 -0.44 -1.07 0.00 0.00 179.97 179.57 1q2r h ASP 363 N 0.24 0.81 -0.43 7.04 3.32 -0.67 -2.42 116.42 124.32 1q2r h ASP 363 Ca -0.10 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1q2r h ASP 363 Cb 1.52 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 1q2r h ASP 363 CO 0.17 0.96 0.27 0.77 -1.72 0.00 0.00 179.24 179.69 1q2r h SER 364 N 0.65 0.50 -0.57 6.45 4.64 -1.27 -0.91 113.55 123.04 1q2r h SER 364 Ca 0.12 -0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1q2r h SER 364 Cb 0.58 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1q2r h SER 364 CO 0.03 0.38 0.38 0.40 -0.87 0.00 0.00 176.83 177.15 1q2r h ILE 365 N 0.58 1.10 -0.48 0.95 2.04 -1.44 -0.14 117.51 120.12 1q2r h ILE 365 Ca 0.16 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 1q2r h ILE 365 Cb -0.04 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1q2r h ILE 365 CO -0.03 0.13 -0.04 0.28 0.00 0.00 0.00 178.15 178.49 1q2r h SER 366 N 0.71 0.80 0.36 1.72 0.02 -0.71 -2.73 113.55 113.73 1q2r h SER 366 Ca 0.22 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1q2r h SER 366 Cb 0.01 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1q2r h SER 366 CO -0.05 0.89 -0.11 -0.62 -1.14 0.00 0.00 176.83 175.80 1q2r n GLU 367 N -4.19 0.69 -1.06 3.45 1.02 -0.47 -4.91 120.64 115.16 1q2r n GLU 367 Ca 0.02 -0.23 -0.02 0.00 -0.02 0.00 0.00 57.16 56.91 1q2r n GLU 367 Cb 0.33 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.25 1q2r n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q2r n GLY 368 N 1.28 0.55 1.92 0.62 0.00 -0.18 -4.91 105.19 104.46 1q2r n GLY 368 Ca 0.14 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 1q2r n GLY 368 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1q2r n ARG 369 N -2.46 3.24 0.05 1.61 1.85 -0.59 -4.79 116.66 115.57 1q2r n ARG 369 Ca -0.02 -4.01 -0.08 0.00 -1.00 0.00 0.00 57.85 52.74 1q2r n ARG 369 Cb 0.13 -2.14 -0.06 0.00 -1.05 0.00 0.00 32.46 29.34 1q2r n ARG 369 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 1q2r h PHE 370 N 2.07 -0.21 -1.00 2.89 3.57 -1.88 -2.45 116.94 119.95 1q2r h PHE 370 Ca 0.29 -0.00 0.38 0.00 3.53 0.00 0.00 57.97 62.16 1q2r h PHE 370 Cb 1.47 0.07 -0.17 0.00 2.79 0.00 0.00 35.95 40.10 1q2r h PHE 370 CO 0.81 0.13 0.47 1.03 -2.23 0.00 0.00 178.31 178.52 1q2r h SER 371 N -0.98 0.25 0.32 0.41 0.87 -1.92 0.76 113.55 113.26 1q2r h SER 371 Ca -0.02 0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1q2r h SER 371 Cb 0.43 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1q2r h SER 371 CO 0.04 -0.36 -0.15 -0.61 -0.53 0.00 0.00 176.83 175.21 1q2r h GLN 372 N 0.07 -0.41 -0.98 2.24 5.75 -1.92 -3.00 115.11 116.85 1q2r h GLN 372 Ca 0.79 0.03 0.31 0.00 -0.15 0.00 0.00 58.65 59.63 1q2r h GLN 372 Cb 1.98 0.09 -0.15 0.00 1.07 0.00 0.00 27.48 30.47 1q2r h GLN 372 CO -0.75 -0.08 0.48 0.35 -2.65 0.00 0.00 178.83 176.18 1q2r h PHE 373 N -0.87 0.78 -0.37 3.99 3.57 0.90 0.49 116.94 125.43 1q2r h PHE 373 Ca -0.04 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1q2r h PHE 373 Cb 0.52 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1q2r h PHE 373 CO 0.03 -0.22 0.20 0.00 -2.23 0.00 0.00 178.31 176.09 1q2r h ALA 374 N 1.86 0.47 -0.29 2.41 0.00 -0.80 0.17 119.26 123.07 1q2r h ALA 374 Ca 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 1q2r h ALA 374 Cb 1.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1q2r h ALA 374 CO -0.64 -0.00 0.15 0.37 0.00 0.00 0.00 179.25 179.12 1q2r h GLN 375 N 0.47 0.42 -0.42 0.00 4.15 0.05 -1.66 115.11 118.11 1q2r h GLN 375 Ca 0.13 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 1q2r h GLN 375 Cb 0.06 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1q2r h GLN 375 CO -0.02 0.38 -0.02 -0.44 -1.93 0.00 0.00 178.83 176.79 1q2r h ASP 376 N 0.35 0.66 0.71 -0.69 5.19 -1.00 -2.63 116.42 119.01 1q2r h ASP 376 Ca 0.10 -0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 1q2r h ASP 376 Cb 0.09 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.42 1q2r h ASP 376 CO -0.01 0.74 -0.42 0.15 -3.12 0.00 0.00 179.24 176.58 1q2r h PHE 377 N 0.65 -1.11 -0.67 4.55 3.57 -0.06 -2.65 116.94 121.22 1q2r h PHE 377 Ca 0.13 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.73 1q2r h PHE 377 Cb 0.44 0.39 -0.08 0.00 2.79 0.00 0.00 35.95 39.48 1q2r h PHE 377 CO 0.02 -0.63 0.24 0.00 -2.23 0.00 0.00 178.31 175.71 1q2r h ARG 378 N -1.05 0.39 0.00 1.11 3.08 -1.33 0.24 114.38 116.82 1q2r h ARG 378 Ca -0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1q2r h ARG 378 Cb 0.83 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1q2r h ARG 378 CO 0.11 0.26 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 1q2r n ALA 379 N -2.51 -0.12 -0.15 0.04 0.00 -0.99 -0.06 120.51 116.71 1q2r n ALA 379 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.50 1q2r n ALA 379 Cb 0.34 0.38 0.04 0.00 0.00 0.00 0.00 19.45 20.21 1q2r n ALA 379 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1q2r h ARG 380 N 0.00 0.43 0.57 0.00 2.43 -1.20 -2.07 114.38 114.54 1q2r h ARG 380 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1q2r h ARG 380 Cb 0.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1q2r h ARG 380 CO 0.00 0.29 -0.42 -0.92 -1.51 0.00 0.00 179.97 177.40 1q2r h TYR 381 N 0.44 -1.14 0.00 2.20 3.20 -0.58 -2.43 116.97 118.66 1q2r h TYR 381 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1q2r h TYR 381 Cb 0.14 0.42 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1q2r h TYR 381 CO -0.11 -0.61 0.00 1.19 -1.64 0.00 0.00 178.16 176.98 1q2r n PHE 382 N -5.54 0.13 0.05 -3.82 3.72 0.91 -2.54 117.46 110.37 1q2r n PHE 382 Ca -0.12 0.05 -0.17 0.00 -0.05 0.00 0.00 57.45 57.16 1q2r n PHE 382 Cb 0.43 -0.59 -0.07 0.00 -0.94 0.00 0.00 39.48 38.31 1q2r n PHE 382 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1q2r h ALA 383 N 2.43 0.25 -5.32 4.37 0.00 -0.87 -3.49 119.26 116.62 1q2r h ALA 383 Ca 0.00 -0.69 -0.28 0.00 0.00 0.00 0.00 54.91 53.94 1q2r h ALA 383 Cb 0.25 0.02 0.17 0.00 0.00 0.00 0.00 17.79 18.22 1q2r h ALA 383 CO 0.00 0.74 -0.74 0.54 0.00 0.00 0.00 179.25 179.79 1q2r n ARG 384 N -3.82 -4.69 -2.75 0.00 1.74 -1.05 -4.96 116.66 101.12 1q2r n ARG 384 Ca -0.09 0.79 -0.37 0.00 -0.77 0.00 0.00 57.85 57.41 1q2r n ARG 384 Cb 0.85 -5.56 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 1q2r n ARG 384 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1q2r n ASN 385 N -3.01 6.46 -0.82 0.55 4.13 -1.26 -5.01 115.26 116.30 1q2r n ASN 385 Ca -0.20 -3.67 0.10 0.00 1.68 0.00 0.00 54.58 52.49 1q2r n ASN 385 Cb 0.64 -0.99 0.08 0.00 -1.54 0.00 0.00 39.78 37.97 1q2r n ASN 385 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30