#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 2.14 -0.04 -0.14 0.04 -1.26 -4.69 135.00 131.05 1q2r s PRO 12 Ca 0.00 1.90 -0.20 0.00 0.04 0.00 0.00 61.00 62.74 1q2r s PRO 12 Cb 0.00 -1.82 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 1q2r s PRO 12 CO 0.00 -1.87 0.86 -0.09 0.04 0.00 0.00 177.00 175.94 1q2r h ARG 13 N -0.13 -0.35 -1.37 4.56 2.43 -1.90 -1.78 114.38 115.84 1q2r h ARG 13 Ca -0.49 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.74 1q2r h ARG 13 Cb 1.32 0.08 -0.23 0.00 -0.42 0.00 0.00 29.97 30.71 1q2r h ARG 13 CO 0.50 -0.01 -0.30 0.12 -1.51 0.00 0.00 179.97 178.77 1q2r s PHE 14 N -3.60 -1.38 -0.26 2.20 5.36 -1.22 -3.86 117.98 115.22 1q2r s PHE 14 Ca -0.11 1.60 -0.03 0.00 -0.96 0.00 0.00 56.93 57.43 1q2r s PHE 14 Cb 0.01 0.47 0.09 0.00 -0.34 0.00 0.00 43.02 43.25 1q2r s PHE 14 CO 0.41 -0.80 0.10 0.45 -1.46 0.00 0.00 175.22 173.92 1q2r s SER 15 N 2.79 3.42 0.04 6.13 0.15 -0.58 -4.94 113.70 120.70 1q2r s SER 15 Ca 0.15 -1.22 -0.24 0.00 0.70 0.00 0.00 55.95 55.34 1q2r s SER 15 Cb -0.15 -0.51 -0.06 0.00 -1.71 0.00 0.00 66.02 63.60 1q2r s SER 15 CO -0.19 -0.40 0.72 0.12 1.20 0.00 0.00 173.24 174.69 1q2r s PHE 16 N 1.94 3.73 -0.06 3.44 5.36 -1.26 -1.57 117.98 129.56 1q2r s PHE 16 Ca 0.07 1.41 -0.02 0.00 -0.96 0.00 0.00 56.93 57.42 1q2r s PHE 16 Cb -0.16 -2.77 0.04 0.00 -0.34 0.00 0.00 43.02 39.79 1q2r s PHE 16 CO -0.26 0.30 0.10 -1.12 -1.46 0.00 0.00 175.22 172.79 1q2r s SER 17 N -0.13 0.89 -0.18 6.13 0.01 -0.41 -5.01 113.70 115.01 1q2r s SER 17 Ca 0.37 0.18 -0.24 0.00 1.31 0.00 0.00 55.95 57.57 1q2r s SER 17 Cb -0.20 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1q2r s SER 17 CO 0.22 -0.24 0.75 -0.63 0.41 0.00 0.00 173.24 173.75 1q2r s ILE 18 N 2.13 4.94 -0.31 1.44 1.01 -1.26 -1.86 121.20 127.28 1q2r s ILE 18 Ca 0.03 1.46 0.19 0.00 0.00 0.00 0.00 60.65 62.33 1q2r s ILE 18 Cb -0.12 -4.06 -0.26 0.00 0.01 0.00 0.00 42.46 38.02 1q2r s ILE 18 CO -0.04 0.06 0.54 0.00 0.00 0.00 0.00 174.94 175.50 1q2r n ALA 19 N 5.13 3.28 -3.47 9.38 0.00 -0.15 -4.96 120.51 129.71 1q2r n ALA 19 Ca 0.02 -0.48 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 1q2r n ALA 19 Cb 0.49 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.23 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 -3.13 -1.66 0.05 0.00 0.00 -0.87 -5.02 121.76 111.14 1q2r s ALA 20 Ca -0.02 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 1q2r s ALA 20 Cb 0.13 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1q2r s ALA 20 CO 0.78 -0.44 -0.01 1.03 0.00 0.00 0.00 175.76 177.12 1q2r s ARG 21 N -1.72 0.62 -0.30 0.00 0.52 -1.26 -1.31 118.95 115.50 1q2r s ARG 21 Ca -0.09 -1.17 -0.02 0.00 -0.52 0.00 0.00 55.73 53.93 1q2r s ARG 21 Cb -0.00 0.22 0.19 0.00 0.52 0.00 0.00 34.95 35.87 1q2r s ARG 21 CO 0.05 -0.12 0.72 -2.00 0.02 0.00 0.00 175.30 173.97 1q2r s GLU 22 N -3.80 0.45 5.82 3.54 2.12 -0.16 -4.89 118.70 121.79 1q2r s GLU 22 Ca 0.06 0.67 0.00 0.00 0.36 0.00 0.00 54.97 56.06 1q2r s GLU 22 Cb 0.07 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.81 1q2r s GLU 22 CO -0.10 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 1q2r n GLY 23 N 5.40 2.26 0.21 -1.50 0.00 -1.26 -1.61 105.19 108.69 1q2r n GLY 23 Ca 0.01 -0.49 0.12 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 -7.09 1.61 1.57 -1.90 -3.46 116.57 107.30 1q2r h LYS 24 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1q2r h LYS 24 Cb 0.00 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.36 1q2r h LYS 24 CO 0.00 0.00 0.40 0.00 -0.57 0.00 0.00 179.45 179.28 1q2r s ALA 25 N -3.22 2.78 -0.16 3.86 0.00 -0.63 -3.83 121.76 120.57 1q2r s ALA 25 Ca 0.07 0.67 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 1q2r s ALA 25 Cb 0.05 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.95 1q2r s ALA 25 CO 0.67 -0.55 0.66 -0.98 0.00 0.00 0.00 175.76 175.57 1q2r s ARG 26 N -3.34 0.90 0.07 0.00 3.03 -1.26 -0.99 118.95 117.36 1q2r s ARG 26 Ca 0.69 0.60 0.09 0.00 2.03 0.00 0.00 55.73 59.14 1q2r s ARG 26 Cb -0.19 0.43 -0.03 0.00 -1.03 0.00 0.00 34.95 34.12 1q2r s ARG 26 CO 0.24 -0.20 -0.22 -0.08 -1.13 0.00 0.00 175.30 173.91 1q2r s THR 27 N -0.37 2.50 0.00 4.99 -1.32 -0.43 -4.24 115.64 116.78 1q2r s THR 27 Ca -0.05 -1.40 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 1q2r s THR 27 Cb -0.03 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.91 1q2r s THR 27 CO 0.05 0.27 0.00 0.61 -2.21 0.00 0.00 174.62 173.34 1q2r n GLY 28 N 1.40 1.39 3.23 6.08 0.00 -0.55 -0.98 105.19 115.76 1q2r n GLY 28 Ca -0.17 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.12 0.10 -0.18 2.61 -4.23 -0.78 -0.62 115.64 111.42 1q2r s THR 29 Ca 0.00 -0.81 -0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1q2r s THR 29 Cb 0.00 -1.02 0.01 0.00 1.34 0.00 0.00 72.50 72.82 1q2r s THR 29 CO 0.00 -0.45 -0.16 -0.63 -0.54 0.00 0.00 174.62 172.85 1q2r s ILE 30 N -2.89 2.51 -0.24 2.99 1.01 -0.12 -1.29 121.20 123.17 1q2r s ILE 30 Ca -0.03 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 1q2r s ILE 30 Cb 0.00 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1q2r s ILE 30 CO -0.06 0.51 0.21 -1.61 0.00 0.00 0.00 174.94 173.99 1q2r s GLU 31 N 1.15 4.08 0.21 2.79 2.02 -0.61 -0.13 118.70 128.21 1q2r s GLU 31 Ca 0.01 -0.18 0.03 0.00 0.02 0.00 0.00 54.97 54.85 1q2r s GLU 31 Cb -0.14 -3.55 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 1q2r s GLU 31 CO -0.06 0.02 -0.00 -1.64 0.02 0.00 0.00 175.26 173.59 1q2r s MET 32 N 1.17 1.27 0.21 1.61 -1.94 -0.22 -1.52 119.30 119.89 1q2r s MET 32 Ca 0.10 -1.63 -0.09 0.00 -1.71 0.00 0.00 55.69 52.35 1q2r s MET 32 Cb -0.14 -0.53 0.31 0.00 2.01 0.00 0.00 34.83 36.48 1q2r s MET 32 CO 0.06 -0.10 1.72 0.87 -0.01 0.00 0.00 175.02 177.55 1q2r h LYS 33 N 2.53 0.31 -0.00 2.03 1.79 -1.43 -2.08 116.57 119.73 1q2r h LYS 33 Ca -0.38 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1q2r h LYS 33 Cb 1.22 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1q2r h LYS 33 CO 0.64 0.21 -0.06 0.54 -1.08 0.00 0.00 179.45 179.70 1q2r n ARG 34 N -5.08 0.77 0.00 3.15 1.74 -1.26 -5.00 116.66 110.98 1q2r n ARG 34 Ca 0.09 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1q2r n ARG 34 Cb 0.32 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.22 -0.50 3.72 -0.13 0.00 -0.78 -4.05 105.19 104.66 1q2r n GLY 35 Ca 0.17 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.84 4.43 -0.31 1.61 1.01 -1.26 -1.06 120.40 122.98 1q2r s VAL 36 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1q2r s VAL 36 Cb 0.00 -2.94 0.08 0.00 0.00 0.00 0.00 36.38 33.52 1q2r s VAL 36 CO 0.00 0.47 0.00 -0.63 0.00 0.00 0.00 175.10 174.94 1q2r s ILE 37 N -1.03 2.37 0.39 2.22 1.01 0.82 -4.84 121.20 122.13 1q2r s ILE 37 Ca 0.18 -2.01 -0.27 0.00 0.00 0.00 0.00 60.65 58.55 1q2r s ILE 37 Cb -0.12 -2.59 -0.09 0.00 0.01 0.00 0.00 42.46 39.67 1q2r s ILE 37 CO 0.08 -0.37 1.29 -0.13 0.00 0.00 0.00 174.94 175.80 1q2r s ARG 38 N 1.01 4.06 0.05 2.79 0.52 -1.26 -0.94 118.95 125.18 1q2r s ARG 38 Ca 0.03 2.14 0.02 0.00 -0.52 0.00 0.00 55.73 57.39 1q2r s ARG 38 Cb -0.20 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 1q2r s ARG 38 CO -0.06 -0.41 -0.08 0.95 0.02 0.00 0.00 175.30 175.72 1q2r s THR 39 N -1.25 0.58 0.43 0.02 -4.23 0.21 -3.64 115.64 107.76 1q2r s THR 39 Ca 0.55 -1.23 -0.25 0.00 -1.18 0.00 0.00 61.69 59.59 1q2r s THR 39 Cb -0.38 -0.79 -0.10 0.00 1.34 0.00 0.00 72.50 72.57 1q2r s THR 39 CO 0.49 -0.46 1.13 -2.65 -0.54 0.00 0.00 174.62 172.59 1q2r n PRO 40 N 1.21 1.60 -4.39 3.99 -0.02 -1.26 -1.47 135.00 134.65 1q2r n PRO 40 Ca -0.21 0.57 -0.23 0.00 -2.02 0.00 0.00 63.50 61.61 1q2r n PRO 40 Cb 0.56 -2.20 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.24 1.59 -0.17 3.55 0.00 -0.25 -4.87 121.76 120.36 1q2r s ALA 41 Ca 0.63 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1q2r s ALA 41 Cb -0.53 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 1q2r s ALA 41 CO 0.57 0.32 -0.12 0.12 0.00 0.00 0.00 175.76 176.65 1q2r s PHE 42 N -1.00 2.84 -0.39 0.00 5.36 -1.26 -1.18 117.98 122.36 1q2r s PHE 42 Ca 0.05 -1.03 -0.12 0.00 -0.96 0.00 0.00 56.93 54.87 1q2r s PHE 42 Cb -0.09 -1.95 0.03 0.00 -0.34 0.00 0.00 43.02 40.66 1q2r s PHE 42 CO 0.03 -0.50 0.23 -1.64 -1.46 0.00 0.00 175.22 171.88 1q2r s MET 43 N 1.01 2.85 0.61 10.12 -1.94 0.16 -4.74 119.30 127.37 1q2r s MET 43 Ca -0.01 -1.07 -0.19 0.00 -1.71 0.00 0.00 55.69 52.70 1q2r s MET 43 Cb -0.15 -3.80 -0.02 0.00 2.01 0.00 0.00 34.83 32.86 1q2r s MET 43 CO -0.02 -0.72 1.32 -2.14 -0.01 0.00 0.00 175.02 173.45 1q2r s PRO 44 N 1.59 2.76 -0.26 2.03 0.02 -1.25 -3.87 135.00 136.02 1q2r s PRO 44 Ca 0.03 2.14 -0.17 0.00 0.02 0.00 0.00 61.00 63.02 1q2r s PRO 44 Cb -0.19 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 1q2r s PRO 44 CO 0.08 -1.45 0.46 0.08 -0.33 0.00 0.00 177.00 175.83 1q2r s VAL 45 N -1.36 5.11 -0.58 3.83 1.01 -1.26 -1.45 120.40 125.71 1q2r s VAL 45 Ca 0.79 0.76 0.05 0.00 0.00 0.00 0.00 61.98 63.58 1q2r s VAL 45 Cb -0.39 -3.78 0.34 0.00 0.00 0.00 0.00 36.38 32.56 1q2r s VAL 45 CO 0.43 0.12 0.98 0.61 0.00 0.00 0.00 175.10 177.23 1q2r n GLY 46 N 4.48 5.65 0.02 4.51 0.00 0.29 -4.47 105.19 115.66 1q2r n GLY 46 Ca -0.06 -2.78 -0.00 0.00 0.00 0.00 0.00 46.02 43.17 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 -0.26 -0.03 -0.97 2.61 -1.04 -1.24 -1.94 114.28 111.41 1q2r n THR 47 Ca 0.32 1.20 -0.17 0.00 -2.04 0.00 0.00 64.05 63.36 1q2r n THR 47 Cb 0.40 -1.59 0.01 0.00 -1.82 0.00 0.00 70.33 67.33 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 -2.81 5.33 -3.10 2.41 0.00 -1.26 -2.35 120.51 118.73 1q2r n ALA 48 Ca 0.00 -1.77 -0.14 0.00 0.00 0.00 0.00 53.44 51.53 1q2r n ALA 48 Cb 0.01 -1.53 0.05 0.00 0.00 0.00 0.00 19.45 17.98 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 0.66 -0.93 -3.65 0.00 0.00 -0.82 -4.96 120.51 110.81 1q2r n ALA 49 Ca 0.31 0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.90 1q2r n ALA 49 Cb 0.58 -3.10 -0.07 0.00 0.00 0.00 0.00 19.45 16.86 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 -3.21 0.00 -0.55 0.00 -1.32 -1.19 -4.80 115.64 104.57 1q2r s THR 50 Ca 0.27 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.54 1q2r s THR 50 Cb -0.12 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.94 1q2r s THR 50 CO 0.45 0.00 0.74 -0.69 -2.21 0.00 0.00 174.62 172.92 1q2r s VAL 51 N 0.45 4.70 -0.09 5.08 1.01 -1.26 -3.89 120.40 126.39 1q2r s VAL 51 Ca 0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1q2r s VAL 51 Cb -0.04 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1q2r s VAL 51 CO -0.12 -1.02 0.32 0.29 0.00 0.00 0.00 175.10 174.57 1q2r n LYS 52 N 6.65 0.00 -1.07 2.72 4.01 -1.26 -1.58 118.16 127.63 1q2r n LYS 52 Ca -0.05 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.72 1q2r n LYS 52 Cb 0.45 -0.28 -0.01 0.00 -0.51 0.00 0.00 35.03 34.68 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 0.85 -0.03 -2.71 7.82 0.00 -1.26 -4.99 120.51 120.18 1q2r n ALA 53 Ca 0.06 0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.37 1q2r n ALA 53 Cb -0.01 -1.08 -0.13 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 -0.51 2.14 0.41 0.00 1.43 -0.62 -4.64 118.68 116.88 1q2r s LEU 54 Ca 0.00 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 1q2r s LEU 54 Cb 0.00 -0.43 -0.09 0.00 0.03 0.00 0.00 46.19 45.70 1q2r s LEU 54 CO 0.00 0.00 0.85 -0.54 0.23 0.00 0.00 176.35 176.90 1q2r s LYS 55 N -0.90 4.01 0.27 1.70 1.02 -1.26 -4.51 119.74 120.07 1q2r s LYS 55 Ca -0.01 0.82 0.01 0.00 0.02 0.00 0.00 55.97 56.81 1q2r s LYS 55 Cb -0.07 -2.29 0.61 0.00 -0.52 0.00 0.00 37.83 35.57 1q2r s LYS 55 CO 0.01 -0.02 1.73 -1.35 -0.92 0.00 0.00 175.35 174.80 1q2r h PRO 56 N 1.69 0.50 -0.84 -1.68 0.11 -1.85 0.93 132.00 130.86 1q2r h PRO 56 Ca -0.48 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1q2r h PRO 56 Cb 1.18 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 1q2r h PRO 56 CO 0.63 0.33 0.55 1.05 -0.21 0.00 0.00 178.00 180.36 1q2r h GLU 57 N 0.52 1.05 -0.25 1.05 4.11 -1.93 -0.17 114.58 118.96 1q2r h GLU 57 Ca 0.50 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.84 1q2r h GLU 57 Cb 0.83 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1q2r h GLU 57 CO -0.44 0.69 0.05 1.15 0.07 0.00 0.00 179.01 180.53 1q2r h THR 58 N 1.08 1.22 -0.36 -1.06 2.02 -1.22 0.54 112.91 115.12 1q2r h THR 58 Ca 0.32 -0.74 0.06 0.00 0.77 0.00 0.00 66.41 66.82 1q2r h THR 58 Cb -0.03 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1q2r h THR 58 CO -0.09 0.24 0.06 0.58 0.37 0.00 0.00 175.52 176.68 1q2r h VAL 59 N 0.23 0.80 -0.37 3.16 2.07 -0.57 -0.65 116.25 120.92 1q2r h VAL 59 Ca 0.08 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1q2r h VAL 59 Cb 0.31 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1q2r h VAL 59 CO 0.00 0.03 0.11 -0.09 0.02 0.00 0.00 177.57 177.64 1q2r h ARG 60 N 0.17 0.53 -0.85 1.57 9.65 -0.79 -2.53 114.38 122.13 1q2r h ARG 60 Ca 0.17 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1q2r h ARG 60 Cb 0.21 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.65 1q2r h ARG 60 CO -0.24 0.48 0.52 0.00 2.80 0.00 0.00 179.97 183.52 1q2r h ALA 61 N 1.60 1.09 0.00 2.80 0.00 0.63 -2.22 119.26 123.16 1q2r h ALA 61 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1q2r h ALA 61 Cb 0.17 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1q2r h ALA 61 CO -0.01 0.54 -0.05 1.79 0.00 0.00 0.00 179.25 181.53 1q2r h THR 62 N 1.17 0.71 0.00 0.00 1.35 -0.93 -3.46 112.91 111.75 1q2r h THR 62 Ca 0.31 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1q2r h THR 62 Cb -0.06 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1q2r h THR 62 CO -0.06 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.87 1q2r n GLY 63 N -1.20 0.78 3.77 5.82 0.00 -0.83 -4.67 105.19 108.85 1q2r n GLY 63 Ca -0.03 0.00 -0.40 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 -1.42 3.35 -0.03 4.61 0.00 -1.23 -4.93 121.76 122.11 1q2r s ALA 64 Ca 0.00 1.39 0.16 0.00 0.00 0.00 0.00 51.96 53.52 1q2r s ALA 64 Cb 0.00 -3.55 -0.25 0.00 0.00 0.00 0.00 23.12 19.32 1q2r s ALA 64 CO 0.00 -0.98 0.35 -0.25 0.00 0.00 0.00 175.76 174.88 1q2r n ASP 65 N 0.18 1.23 -3.73 0.00 8.00 -1.26 -4.68 116.55 116.27 1q2r n ASP 65 Ca 0.03 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 1q2r n ASP 65 Cb 0.42 1.72 -0.11 0.00 -0.02 0.00 0.00 41.12 43.13 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 -4.23 121.20 115.69 1q2r s ILE 66 Ca -0.06 0.03 0.06 0.00 -1.41 0.00 0.00 60.65 59.26 1q2r s ILE 66 Cb 0.10 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 42.15 1q2r s ILE 66 CO 0.68 0.01 0.29 0.27 -1.91 0.00 0.00 174.94 174.29 1q2r s ILE 67 N 0.49 1.84 -0.01 2.00 -4.36 -1.21 -3.92 121.20 116.03 1q2r s ILE 67 Ca -0.02 -1.60 0.03 0.00 -0.26 0.00 0.00 60.65 58.80 1q2r s ILE 67 Cb -0.04 -2.44 -0.00 0.00 1.25 0.00 0.00 42.46 41.23 1q2r s ILE 67 CO -0.03 0.00 -0.09 -0.22 0.24 0.00 0.00 174.94 174.84 1q2r s LEU 68 N -4.12 1.96 0.28 0.37 0.20 -0.53 -2.06 118.68 114.79 1q2r s LEU 68 Ca 0.33 -0.18 0.11 0.00 0.69 0.00 0.00 54.13 55.08 1q2r s LEU 68 Cb -0.00 -0.51 -0.05 0.00 -0.43 0.00 0.00 46.19 45.20 1q2r s LEU 68 CO 0.20 0.11 -0.10 -0.83 -0.29 0.00 0.00 176.35 175.43 1q2r s GLY 69 N -0.13 1.82 -0.14 7.98 0.00 -0.07 0.10 107.32 116.90 1q2r s GLY 69 Ca 0.02 -1.80 -0.03 0.00 0.00 0.00 0.00 44.72 42.91 1q2r s GLY 69 CO -0.00 -1.87 -0.03 0.21 0.00 0.00 0.00 173.10 171.41 1q2r s ASN 70 N -3.60 4.85 0.03 1.64 3.84 -0.99 -1.42 114.94 119.29 1q2r s ASN 70 Ca 0.31 -0.08 -0.26 0.00 0.21 0.00 0.00 52.86 53.04 1q2r s ASN 70 Cb -0.05 -1.67 -0.17 0.00 -0.55 0.00 0.00 41.25 38.82 1q2r s ASN 70 CO 0.17 0.22 1.34 0.74 -2.79 0.00 0.00 177.10 176.78 1q2r h THR 71 N 4.90 0.63 -0.14 -5.21 2.02 -1.65 -2.64 112.91 110.82 1q2r h THR 71 Ca -0.36 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.41 1q2r h THR 71 Cb 1.19 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 1q2r h THR 71 CO 0.61 0.08 -0.04 0.22 0.37 0.00 0.00 175.52 176.76 1q2r h TYR 72 N -0.74 -0.09 0.35 3.16 3.20 -1.81 -1.30 116.97 119.74 1q2r h TYR 72 Ca -0.05 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1q2r h TYR 72 Cb 0.51 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1q2r h TYR 72 CO 0.01 -0.07 -0.17 0.45 -1.64 0.00 0.00 178.16 176.74 1q2r h HIS 73 N -0.01 -0.43 -0.12 -3.82 3.86 -1.91 -2.83 115.15 109.88 1q2r h HIS 73 Ca 0.07 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1q2r h HIS 73 Cb 0.12 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1q2r h HIS 73 CO -0.18 -0.20 0.07 -0.07 0.86 0.00 0.00 177.93 178.41 1q2r h LEU 74 N -0.58 0.14 -0.47 2.43 3.38 -1.47 -0.78 115.31 117.95 1q2r h LEU 74 Ca -0.05 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1q2r h LEU 74 Cb 0.43 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1q2r h LEU 74 CO 0.08 0.11 0.20 -0.03 0.09 0.00 0.00 178.44 178.89 1q2r h MET 75 N 0.16 0.39 -0.16 1.13 4.05 -1.03 0.73 114.93 120.21 1q2r h MET 75 Ca 0.04 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 59.29 1q2r h MET 75 Cb -0.00 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 1q2r h MET 75 CO -0.01 0.26 -0.47 -0.07 0.23 0.00 0.00 176.91 176.85 1q2r h LEU 76 N 0.41 0.69 -7.19 3.39 3.38 -1.08 -3.30 115.31 111.61 1q2r h LEU 76 Ca 0.21 -0.59 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 1q2r h LEU 76 Cb 0.17 -0.20 -0.25 0.00 0.09 0.00 0.00 40.66 40.47 1q2r h LEU 76 CO -0.18 1.16 -0.23 -0.60 0.09 0.00 0.00 178.44 178.68 1q2r s ARG 77 N -3.88 0.46 -0.01 1.13 3.52 -0.39 -4.05 118.95 115.74 1q2r s ARG 77 Ca -0.12 0.85 0.03 0.00 -0.13 0.00 0.00 55.73 56.36 1q2r s ARG 77 Cb 0.07 0.03 0.11 0.00 -1.56 0.00 0.00 34.95 33.60 1q2r s ARG 77 CO 0.84 -0.15 0.94 -0.35 -0.81 0.00 0.00 175.30 175.77 1q2r n PRO 78 N 4.14 1.40 0.00 5.12 -0.04 -1.21 -3.72 135.00 140.68 1q2r n PRO 78 Ca -0.22 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1q2r n PRO 78 Cb 0.56 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.47 2.16 0.36 0.55 0.00 0.22 -4.65 105.19 104.29 1q2r n GLY 79 Ca 0.04 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.86 -0.97 4.61 0.00 -1.64 -1.80 119.26 118.61 1q2r h ALA 80 Ca 0.00 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 54.87 1q2r h ALA 80 Cb 0.00 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 1q2r h ALA 80 CO 0.00 -0.81 0.58 0.93 0.00 0.00 0.00 179.25 179.94 1q2r h GLU 81 N -1.21 0.77 -0.32 0.00 3.07 -1.92 0.41 114.58 115.38 1q2r h GLU 81 Ca -0.09 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 1q2r h GLU 81 Cb 0.67 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1q2r h GLU 81 CO 0.14 0.51 0.15 -0.09 -1.40 0.00 0.00 179.01 178.33 1q2r h ARG 82 N 0.80 0.46 -0.67 2.33 2.43 -1.81 0.94 114.38 118.85 1q2r h ARG 82 Ca 0.53 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.60 1q2r h ARG 82 Cb 0.73 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1q2r h ARG 82 CO -0.35 0.43 0.28 0.82 -1.51 0.00 0.00 179.97 179.65 1q2r h ILE 83 N 0.38 1.23 -0.16 1.20 2.04 -0.27 0.37 117.51 122.29 1q2r h ILE 83 Ca 0.11 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1q2r h ILE 83 Cb 0.12 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1q2r h ILE 83 CO -0.01 0.28 0.04 0.00 0.00 0.00 0.00 178.15 178.47 1q2r h ALA 84 N 1.34 0.17 -0.84 1.87 0.00 -0.49 0.17 119.26 121.48 1q2r h ALA 84 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1q2r h ALA 84 Cb 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1q2r h ALA 84 CO -0.02 -0.40 0.53 -0.22 0.00 0.00 0.00 179.25 179.14 1q2r h LYS 85 N 0.12 1.12 0.00 0.00 3.64 -0.06 -1.93 116.57 119.45 1q2r h LYS 85 Ca 0.07 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1q2r h LYS 85 Cb 0.05 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1q2r h LYS 85 CO -0.08 0.77 0.00 1.28 -2.27 0.00 0.00 179.45 179.15 1q2r n LEU 86 N -4.39 0.00 0.00 5.20 4.32 0.05 -4.81 117.00 117.37 1q2r n LEU 86 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1q2r n LEU 86 Cb 0.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1q2r n LEU 86 CO 0.37 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 1q2r n GLY 87 N 0.40 1.06 0.00 -0.72 0.00 -0.73 -4.70 105.19 100.49 1q2r n GLY 87 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.44 1.21 0.10 -0.02 0.00 0.55 -4.46 105.19 101.12 1q2r n GLY 88 Ca 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.04 -0.21 0.99 5.85 -1.37 -1.16 115.31 119.36 1q2r h LEU 89 Ca 0.00 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1q2r h LEU 89 Cb 0.00 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 1q2r h LEU 89 CO 0.00 0.01 -0.29 0.45 -0.34 0.00 0.00 178.44 178.27 1q2r h HIS 90 N 0.08 -0.79 -0.61 1.25 3.86 -1.78 -1.13 115.15 116.03 1q2r h HIS 90 Ca 0.08 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1q2r h HIS 90 Cb 0.09 0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 1q2r h HIS 90 CO -0.15 -0.36 0.32 1.03 0.86 0.00 0.00 177.93 179.63 1q2r h SER 91 N -0.32 0.77 -0.23 2.45 0.87 -1.76 -0.19 113.55 115.14 1q2r h SER 91 Ca 0.12 -0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1q2r h SER 91 Cb 0.51 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 1q2r h SER 91 CO -0.39 0.65 -0.02 0.15 -0.53 0.00 0.00 176.83 176.69 1q2r h PHE 92 N 0.83 -0.06 -0.02 2.24 3.57 -0.43 -3.13 116.94 119.94 1q2r h PHE 92 Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1q2r h PHE 92 Cb 0.06 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1q2r h PHE 92 CO -0.01 -0.06 -0.35 0.00 -2.23 0.00 0.00 178.31 175.66 1q2r n MET 93 N -5.17 1.26 -2.18 1.11 0.00 -0.50 -5.00 117.12 106.64 1q2r n MET 93 Ca -0.02 -0.98 -0.00 0.00 0.00 0.00 0.00 57.70 56.71 1q2r n MET 93 Cb 0.13 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.87 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 0.58 2.85 3.17 0.00 -0.14 -4.75 105.19 108.28 1q2r n GLY 94 Ca 0.11 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.36 1.72 -1.74 1.61 -0.11 -0.84 -4.71 118.94 112.51 1q2r s TRP 95 Ca 0.00 -1.26 0.24 0.00 1.22 0.00 0.00 56.10 56.30 1q2r s TRP 95 Cb -0.00 -1.31 0.28 0.00 -1.50 0.00 0.00 33.47 30.94 1q2r s TRP 95 CO 0.00 -0.67 1.26 -0.40 -4.62 0.00 0.00 176.95 172.52 1q2r n ASP 96 N 4.86 1.44 -4.70 5.86 5.68 -1.26 -4.44 116.55 123.99 1q2r n ASP 96 Ca -0.11 -1.14 -0.29 0.00 -0.50 0.00 0.00 54.79 52.75 1q2r n ASP 96 Cb 0.46 0.40 0.12 0.00 -1.14 0.00 0.00 41.12 40.96 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 -2.59 1.60 0.35 0.11 0.52 -1.26 -4.85 118.95 112.83 1q2r s ARG 97 Ca 0.19 -0.01 -0.27 0.00 -0.52 0.00 0.00 55.73 55.12 1q2r s ARG 97 Cb 0.18 -1.92 -0.12 0.00 0.52 0.00 0.00 34.95 33.61 1q2r s ARG 97 CO 0.60 -1.83 1.04 -0.35 0.02 0.00 0.00 175.30 174.78 1q2r n PRO 98 N -3.45 1.46 -4.77 3.54 -0.04 -1.26 -4.91 135.00 125.57 1q2r n PRO 98 Ca 0.10 0.51 -0.25 0.00 -0.04 0.00 0.00 63.50 63.82 1q2r n PRO 98 Cb 0.61 -1.98 -0.16 0.00 -0.04 0.00 0.00 33.50 31.93 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 -1.15 1.33 -0.14 0.52 1.01 -1.26 -3.29 121.20 118.22 1q2r s ILE 99 Ca 0.60 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 1q2r s ILE 99 Cb -0.63 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1q2r s ILE 99 CO 0.59 0.39 -0.04 -0.22 0.00 0.00 0.00 174.94 175.66 1q2r s LEU 100 N 0.04 3.26 -0.13 2.97 0.20 -0.88 -0.88 118.68 123.26 1q2r s LEU 100 Ca -0.03 -0.10 -0.02 0.00 0.69 0.00 0.00 54.13 54.67 1q2r s LEU 100 Cb -0.11 -1.77 -0.03 0.00 -0.43 0.00 0.00 46.19 43.85 1q2r s LEU 100 CO 0.02 0.21 -0.05 0.42 -0.29 0.00 0.00 176.35 176.66 1q2r s THR 101 N 0.13 3.83 0.27 3.68 -4.23 -0.91 -0.89 115.64 117.52 1q2r s THR 101 Ca -0.01 -0.39 -0.26 0.00 -1.18 0.00 0.00 61.69 59.85 1q2r s THR 101 Cb -0.14 -2.65 -0.09 0.00 1.34 0.00 0.00 72.50 70.97 1q2r s THR 101 CO 0.03 0.53 0.88 -0.62 -0.54 0.00 0.00 174.62 174.90 1q2r s ASP 102 N 0.01 7.36 0.48 3.99 -1.08 -0.51 -3.24 116.67 123.69 1q2r s ASP 102 Ca 0.00 1.76 0.13 0.00 -0.52 0.00 0.00 52.55 53.93 1q2r s ASP 102 Cb -0.13 -2.55 1.12 0.00 -1.46 0.00 0.00 42.92 39.90 1q2r s ASP 102 CO 0.03 0.03 2.11 0.77 0.52 0.00 0.00 175.17 178.63 1q2r h SER 103 N 3.56 0.17 0.00 -0.34 4.64 -1.80 -2.14 113.55 117.64 1q2r h SER 103 Ca -0.47 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1q2r h SER 103 Cb 1.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1q2r h SER 103 CO 0.66 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 1q2r n GLY 104 N -1.52 1.07 0.16 -0.77 0.00 -1.26 -4.39 105.19 98.49 1q2r n GLY 104 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1q2r n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q2r n GLY 105 N -0.42 -0.85 0.13 -0.02 0.00 -1.26 -1.01 105.19 101.77 1q2r n GLY 105 Ca 0.00 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1q2r n GLY 105 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1q2r h TYR 106 N 0.00 0.78 0.00 1.61 3.20 -1.93 -1.95 116.97 118.69 1q2r h TYR 106 Ca 0.00 -0.57 -0.06 0.00 3.14 0.00 0.00 58.73 61.24 1q2r h TYR 106 Cb 0.02 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1q2r h TYR 106 CO 0.00 1.48 -0.27 1.96 -1.64 0.00 0.00 178.16 179.69 1q2r h GLN 107 N 0.12 0.00 -0.37 1.82 7.50 -1.48 -0.96 115.11 121.73 1q2r h GLN 107 Ca -0.23 0.00 0.11 0.00 0.50 0.00 0.00 58.65 59.03 1q2r h GLN 107 Cb 2.10 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 29.61 1q2r h GLN 107 CO 0.24 0.27 0.44 0.28 -1.50 0.00 0.00 178.83 178.56 1q2r h VAL 108 N 0.00 0.34 0.00 -0.54 2.07 -1.50 0.17 116.25 116.78 1q2r h VAL 108 Ca -0.00 0.00 -0.42 0.00 0.82 0.00 0.00 66.70 67.10 1q2r h VAL 108 Cb 0.51 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1q2r h VAL 108 CO 0.04 0.00 -2.38 0.80 0.02 0.00 0.00 177.57 176.04 1q2r n MET 109 N -3.63 0.58 0.16 1.57 0.00 -0.46 -3.68 117.12 111.67 1q2r n MET 109 Ca 0.06 0.25 0.13 0.00 -0.00 0.00 0.00 57.70 58.14 1q2r n MET 109 Cb 0.60 -1.48 0.55 0.00 0.00 0.00 0.00 33.22 32.89 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 -1.05 -2.45 113.55 119.82 1q2r h SER 110 Ca -0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1q2r h SER 110 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1q2r h SER 110 CO -0.38 0.00 -0.05 0.18 -0.87 0.00 0.00 176.83 175.71 1q2r n LEU 111 N -2.36 2.12 -0.38 5.97 4.77 0.57 -4.85 117.00 122.84 1q2r n LEU 111 Ca 0.01 -2.87 -0.03 0.00 -0.03 0.00 0.00 56.01 53.10 1q2r n LEU 111 Cb 0.19 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1q2r n LEU 111 CO 0.19 0.66 0.55 -1.54 -1.33 0.00 0.00 177.39 175.92 1q2r n SER 112 N -1.28 -0.71 -0.41 -1.43 3.41 -0.92 -0.33 113.62 111.94 1q2r n SER 112 Ca 0.14 1.71 0.34 0.00 -0.26 0.00 0.00 58.87 60.80 1q2r n SER 112 Cb 0.64 -0.36 0.62 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 0.28 -0.53 4.04 4.64 -1.88 1.51 113.55 121.60 1q2r h SER 113 Ca 0.31 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1q2r h SER 113 Cb 0.55 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1q2r h SER 113 CO -0.96 -0.10 0.00 0.18 -0.87 0.00 0.00 176.83 175.08 1q2r n LEU 114 N -4.64 4.05 -4.60 5.97 4.77 0.55 -4.95 117.00 118.15 1q2r n LEU 114 Ca 0.34 -2.04 -0.27 0.00 -0.03 0.00 0.00 56.01 54.01 1q2r n LEU 114 Cb 1.30 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 41.77 1q2r n LEU 114 CO 0.23 0.68 -0.38 0.28 -1.33 0.00 0.00 177.39 176.87 1q2r s THR 115 N -1.82 3.39 -0.22 -5.08 -1.32 0.52 -1.41 115.64 109.68 1q2r s THR 115 Ca 0.42 -1.56 -0.04 0.00 -1.21 0.00 0.00 61.69 59.30 1q2r s THR 115 Cb 0.27 -2.68 0.08 0.00 -1.51 0.00 0.00 72.50 68.66 1q2r s THR 115 CO 0.20 -0.10 0.12 -0.75 -2.21 0.00 0.00 174.62 171.88 1q2r s LYS 116 N -2.85 0.13 0.52 7.08 2.20 -0.17 -4.98 119.74 121.67 1q2r s LYS 116 Ca 0.26 -0.25 -0.14 0.00 -0.36 0.00 0.00 55.97 55.48 1q2r s LYS 116 Cb -0.09 -1.49 -0.07 0.00 -1.51 0.00 0.00 37.83 34.68 1q2r s LYS 116 CO 0.16 -0.82 0.95 -0.65 -0.36 0.00 0.00 175.35 174.63 1q2r s GLN 117 N 2.14 3.82 -0.05 4.03 -0.21 -1.26 -0.34 119.66 127.79 1q2r s GLN 117 Ca 0.05 0.79 -0.30 0.00 0.02 0.00 0.00 55.36 55.92 1q2r s GLN 117 Cb -0.16 -2.18 0.11 0.00 1.00 0.00 0.00 33.01 31.78 1q2r s GLN 117 CO -0.21 -0.29 0.94 -1.54 -2.12 0.00 0.00 175.29 172.07 1q2r s SER 118 N -3.39 -0.33 0.42 5.90 1.04 -0.48 -4.93 113.70 111.94 1q2r s SER 118 Ca 0.56 0.04 0.18 0.00 0.48 0.00 0.00 55.95 57.21 1q2r s SER 118 Cb -0.10 0.34 1.09 0.00 0.10 0.00 0.00 66.02 67.45 1q2r s SER 118 CO 0.37 -0.54 1.86 -0.08 0.98 0.00 0.00 173.24 175.84 1q2r h GLU 119 N 2.06 0.38 -0.51 4.02 4.57 -2.01 -0.85 114.58 122.24 1q2r h GLU 119 Ca -0.20 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.89 1q2r h GLU 119 Cb 1.22 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 1q2r h GLU 119 CO 0.30 0.25 0.06 1.49 -1.18 0.00 0.00 179.01 179.93 1q2r h GLU 120 N 0.39 0.85 0.00 1.92 4.81 -1.99 -3.49 114.58 117.07 1q2r h GLU 120 Ca 0.46 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1q2r h GLU 120 Cb 1.15 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1q2r h GLU 120 CO -0.16 0.85 0.00 0.41 -0.73 0.00 0.00 179.01 179.38 1q2r n GLY 121 N -0.50 -0.69 3.44 1.92 0.00 -0.32 -4.22 105.19 104.82 1q2r n GLY 121 Ca 0.01 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 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 3.15 -0.29 1.61 -7.23 -0.89 -1.38 120.40 112.38 1q2r s VAL 122 Ca 0.00 -0.66 -0.17 0.00 -1.81 0.00 0.00 61.98 59.34 1q2r s VAL 122 Cb 0.00 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 1q2r s VAL 122 CO 0.00 0.56 0.47 -0.89 -0.31 0.00 0.00 175.10 174.93 1q2r s THR 123 N -0.20 5.09 -0.03 5.32 2.01 0.53 -1.07 115.64 127.29 1q2r s THR 123 Ca 0.01 0.64 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 1q2r s THR 123 Cb -0.13 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1q2r s THR 123 CO 0.03 0.03 0.15 -0.36 -0.69 0.00 0.00 174.62 173.78 1q2r s PHE 124 N 2.26 3.50 -0.35 4.92 0.08 0.75 -1.00 117.98 128.14 1q2r s PHE 124 Ca 0.19 0.36 -0.10 0.00 0.12 0.00 0.00 56.93 57.50 1q2r s PHE 124 Cb -0.16 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1q2r s PHE 124 CO 0.10 0.64 0.17 0.21 -0.10 0.00 0.00 175.22 176.25 1q2r s LYS 125 N -1.71 2.87 -0.45 0.44 2.20 -0.50 -0.47 119.74 122.12 1q2r s LYS 125 Ca 0.24 -1.04 -0.45 0.00 -0.36 0.00 0.00 55.97 54.36 1q2r s LYS 125 Cb -0.12 -3.64 -0.19 0.00 -1.51 0.00 0.00 37.83 32.37 1q2r s LYS 125 CO 0.15 -0.64 1.51 0.45 -0.36 0.00 0.00 175.35 176.45 1q2r n SER 126 N 4.95 1.09 0.00 1.43 2.88 0.25 -4.73 113.62 119.49 1q2r n SER 126 Ca -0.12 1.14 0.06 0.00 -1.33 0.00 0.00 58.87 58.62 1q2r n SER 126 Cb 0.46 -0.85 0.34 0.00 -0.75 0.00 0.00 64.21 63.41 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 3.69 0.00 0.00 0.66 1.44 -1.26 -0.31 115.22 119.44 1q2r n HIS 127 Ca 0.29 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.00 1q2r n HIS 127 Cb -0.05 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 29.81 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 -1.25 0.00 0.00 2.39 -0.00 -1.26 -4.83 117.00 112.04 1q2r n LEU 128 Ca 0.07 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1q2r n LEU 128 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1q2r n LEU 128 CO 0.10 0.00 -0.36 -0.67 -0.00 0.00 0.00 177.39 176.46 1q2r n ASP 129 N -0.56 3.61 0.00 1.45 2.03 -1.15 -5.00 116.55 116.92 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 0.68 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 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 1.86 3.04 3.55 0.27 0.00 0.57 -4.93 105.19 109.55 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 0.03 -0.50 -4.88 1.61 3.41 -1.26 -4.11 113.62 107.92 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 -1.34 -0.05 0.00 -0.26 0.00 0.00 64.21 62.56 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 -3.58 3.72 -0.14 4.33 3.52 -1.26 0.85 118.95 126.39 1q2r s ARG 132 Ca 0.66 0.11 -0.11 0.00 -0.13 0.00 0.00 55.73 56.26 1q2r s ARG 132 Cb -0.29 -2.89 0.04 0.00 -1.56 0.00 0.00 34.95 30.26 1q2r s ARG 132 CO 0.58 0.49 0.36 -1.01 -0.81 0.00 0.00 175.30 174.90 1q2r s HIS 133 N -1.56 -0.44 -0.39 5.12 3.76 0.39 -4.91 115.29 117.25 1q2r s HIS 133 Ca 0.38 1.02 -0.13 0.00 -0.15 0.00 0.00 55.06 56.18 1q2r s HIS 133 Cb -0.13 0.16 0.02 0.00 1.11 0.00 0.00 32.58 33.74 1q2r s HIS 133 CO 0.21 -0.23 0.26 1.41 -0.85 0.00 0.00 174.74 175.54 1q2r s MET 134 N 0.58 2.91 -0.68 1.40 1.75 -1.26 -0.18 119.30 123.82 1q2r s MET 134 Ca -0.03 -1.04 -0.12 0.00 -1.25 0.00 0.00 55.69 53.25 1q2r s MET 134 Cb -0.05 -3.88 0.18 0.00 2.84 0.00 0.00 34.83 33.92 1q2r s MET 134 CO -0.04 -0.73 0.59 -1.17 -0.65 0.00 0.00 175.02 173.03 1q2r s LEU 135 N 1.63 6.22 0.40 4.11 2.96 -0.23 -4.92 118.68 128.84 1q2r s LEU 135 Ca 0.04 -2.44 0.06 0.00 -0.22 0.00 0.00 54.13 51.56 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 0.09 -0.60 0.56 -0.94 -1.32 0.00 0.00 176.35 174.13 1q2r s SER 136 N 2.22 5.78 0.20 3.68 1.04 -1.26 -2.09 113.70 123.27 1q2r s SER 136 Ca 0.13 -0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.26 1q2r s SER 136 Cb -0.18 -1.03 0.23 0.00 0.10 0.00 0.00 66.02 65.14 1q2r s SER 136 CO -0.05 -0.64 1.78 -0.65 0.98 0.00 0.00 173.24 174.66 1q2r h PRO 137 N 0.67 0.54 0.13 4.02 0.11 -1.90 0.16 132.00 135.72 1q2r h PRO 137 Ca -0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1q2r h PRO 137 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1q2r h PRO 137 CO 0.50 0.35 -0.06 1.05 -0.21 0.00 0.00 178.00 179.64 1q2r h GLU 138 N 0.55 -0.17 -0.63 1.05 9.09 -1.91 -2.02 114.58 120.55 1q2r h GLU 138 Ca 0.28 0.01 0.04 0.00 0.05 0.00 0.00 59.36 59.75 1q2r h GLU 138 Cb 0.24 0.04 -0.05 0.00 -1.65 0.00 0.00 28.75 27.33 1q2r h GLU 138 CO -0.21 -0.06 0.36 -0.09 0.05 0.00 0.00 179.01 179.06 1q2r h ARG 139 N -0.23 0.67 -0.90 1.06 9.65 -1.80 -0.89 114.38 121.94 1q2r h ARG 139 Ca -0.02 -0.04 0.07 0.00 -1.10 0.00 0.00 59.98 58.89 1q2r h ARG 139 Cb 0.19 -0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 28.55 1q2r h ARG 139 CO 0.03 0.45 0.56 1.03 2.80 0.00 0.00 179.97 184.84 1q2r h SER 140 N 0.69 0.88 -0.08 -3.80 0.87 -0.49 -0.70 113.55 110.92 1q2r h SER 140 Ca 0.27 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.69 1q2r h SER 140 Cb 0.10 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1q2r h SER 140 CO -0.14 0.54 -0.48 0.40 -0.53 0.00 0.00 176.83 176.63 1q2r h ILE 141 N 1.00 1.30 -0.69 2.23 1.08 -0.69 -2.34 117.51 119.41 1q2r h ILE 141 Ca 0.40 -1.68 -0.05 0.00 -0.39 0.00 0.00 64.86 63.14 1q2r h ILE 141 Cb 0.22 1.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 1q2r h ILE 141 CO -0.19 0.53 0.23 -0.08 -0.69 0.00 0.00 178.15 177.95 1q2r h GLU 142 N 0.51 1.06 0.14 2.37 4.81 -0.32 -0.35 114.58 122.80 1q2r h GLU 142 Ca 0.03 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1q2r h GLU 142 Cb 1.02 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1q2r h GLU 142 CO 0.10 0.91 -0.07 0.82 -0.73 0.00 0.00 179.01 180.04 1q2r h ILE 143 N 1.00 0.92 -0.31 2.32 2.04 -1.10 0.17 117.51 122.55 1q2r h ILE 143 Ca 0.22 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.95 1q2r h ILE 143 Cb 0.29 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1q2r h ILE 143 CO -0.01 0.05 0.22 1.56 0.00 0.00 0.00 178.15 179.97 1q2r h GLN 144 N -0.28 0.12 -0.09 2.37 4.20 -1.15 0.81 115.11 121.09 1q2r h GLN 144 Ca -0.02 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1q2r h GLN 144 Cb 0.22 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1q2r h GLN 144 CO 0.03 0.08 -0.18 1.25 -0.67 0.00 0.00 178.83 179.34 1q2r h HIS 145 N 0.12 0.36 -0.92 2.96 2.76 -0.26 -1.32 115.15 118.85 1q2r h HIS 145 Ca 0.14 -0.13 0.10 0.00 -2.20 0.00 0.00 60.37 58.28 1q2r h HIS 145 Cb 0.41 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.24 1q2r h HIS 145 CO -0.00 0.78 0.59 -0.07 -1.30 0.00 0.00 177.93 177.94 1q2r h LEU 146 N -0.17 0.85 -0.73 0.26 3.38 0.10 0.14 115.31 119.15 1q2r h LEU 146 Ca 0.00 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1q2r h LEU 146 Cb 0.76 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1q2r h LEU 146 CO 0.04 0.50 -0.59 -0.07 0.09 0.00 0.00 178.44 178.42 1q2r h LEU 147 N 0.94 0.17 -0.05 1.67 3.38 -0.87 -3.32 115.31 117.24 1q2r h LEU 147 Ca 0.43 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1q2r h LEU 147 Cb 0.38 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1q2r h LEU 147 CO -0.19 0.72 0.00 0.61 0.09 0.00 0.00 178.44 179.67 1q2r n GLY 148 N 0.20 0.82 3.71 0.83 0.00 0.48 -1.19 105.19 110.05 1q2r n GLY 148 Ca -0.02 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.73 3.55 -0.16 1.61 1.04 -0.96 -4.92 113.70 111.13 1q2r s SER 149 Ca 0.00 2.02 -0.06 0.00 0.48 0.00 0.00 55.95 58.39 1q2r s SER 149 Cb 0.00 -2.54 -0.24 0.00 0.10 0.00 0.00 66.02 63.35 1q2r s SER 149 CO 0.00 -2.68 0.22 0.47 0.98 0.00 0.00 173.24 172.24 1q2r n ASP 150 N -3.95 2.08 -4.25 7.02 8.00 -0.06 -4.76 116.55 120.63 1q2r n ASP 150 Ca 0.11 0.16 -0.36 0.00 0.71 0.00 0.00 54.79 55.41 1q2r n ASP 150 Cb 0.53 -0.79 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 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 -2.53 3.38 -0.08 0.53 1.01 -1.05 -0.16 121.20 122.30 1q2r s ILE 151 Ca -0.26 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.22 1q2r s ILE 151 Cb 0.07 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1q2r s ILE 151 CO 0.72 0.01 0.29 -0.69 0.00 0.00 0.00 174.94 175.27 1q2r s VAL 152 N 1.37 5.25 -0.12 2.92 1.01 0.13 -2.14 120.40 128.83 1q2r s VAL 152 Ca -0.01 0.56 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 1q2r s VAL 152 Cb -0.18 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1q2r s VAL 152 CO -0.00 0.55 0.07 -0.04 0.00 0.00 0.00 175.10 175.68 1q2r s MET 153 N -0.70 3.35 0.71 2.72 -1.94 -1.20 -0.98 119.30 121.26 1q2r s MET 153 Ca 0.19 -0.27 -0.15 0.00 -1.71 0.00 0.00 55.69 53.75 1q2r s MET 153 Cb -0.14 -3.04 0.03 0.00 2.01 0.00 0.00 34.83 33.69 1q2r s MET 153 CO 0.08 0.67 1.16 0.00 -0.01 0.00 0.00 175.02 176.91 1q2r s ALA 154 N -0.74 2.25 0.09 3.03 0.00 -0.50 -4.34 121.76 121.54 1q2r s ALA 154 Ca 0.12 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 1q2r s ALA 154 Cb -0.12 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1q2r s ALA 154 CO 0.03 -1.64 0.97 0.12 0.00 0.00 0.00 175.76 175.23 1q2r s PHE 155 N -2.19 3.77 0.31 0.00 5.36 -1.26 -4.56 117.98 119.41 1q2r s PHE 155 Ca 0.70 1.77 -0.00 0.00 -0.96 0.00 0.00 56.93 58.45 1q2r s PHE 155 Cb -0.25 -3.07 0.00 0.00 -0.34 0.00 0.00 43.02 39.36 1q2r s PHE 155 CO 0.44 0.14 0.40 -0.40 -1.46 0.00 0.00 175.22 174.34 1q2r n ASP 156 N 3.04 -1.09 -3.95 6.13 5.75 -1.26 -4.27 116.55 120.90 1q2r n ASP 156 Ca 0.03 -2.72 -0.31 0.00 -0.01 0.00 0.00 54.79 51.78 1q2r n ASP 156 Cb 0.50 2.10 -0.15 0.00 -1.03 0.00 0.00 41.12 42.53 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 -2.79 1.51 -0.63 0.11 2.12 -1.26 -4.06 118.70 113.70 1q2r s GLU 157 Ca 0.27 -1.35 -0.26 0.00 0.36 0.00 0.00 54.97 54.00 1q2r s GLU 157 Cb -0.00 -2.73 -0.06 0.00 0.26 0.00 0.00 34.13 31.59 1q2r s GLU 157 CO 0.20 -0.77 2.15 0.00 -0.54 0.00 0.00 175.26 176.30 1q2r n THR 159 N 7.81 0.01 -1.16 0.00 -1.04 -1.26 -4.56 114.28 114.08 1q2r n THR 159 Ca 0.33 -0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 62.04 1q2r n THR 159 Cb 0.51 -1.43 0.14 0.00 -1.82 0.00 0.00 70.33 67.73 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 0.90 1.32 -0.02 -2.82 0.04 -1.26 -4.80 135.00 128.37 1q2r s PRO 160 Ca 0.80 0.91 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1q2r s PRO 160 Cb -0.72 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1q2r s PRO 160 CO 0.39 -2.22 -0.07 -0.47 0.04 0.00 0.00 177.00 174.67 1q2r s TYR 161 N -2.90 0.75 1.12 0.56 5.04 -1.26 -4.18 117.35 116.48 1q2r s TYR 161 Ca 0.63 -0.16 -0.14 0.00 -2.44 0.00 0.00 57.07 54.96 1q2r s TYR 161 Cb -0.18 -0.53 0.25 0.00 0.35 0.00 0.00 41.96 41.85 1q2r s TYR 161 CO 0.57 -0.06 1.06 -2.14 -1.34 0.00 0.00 175.55 173.64 1q2r s PRO 162 N 0.09 -0.57 -0.20 4.97 0.02 -1.26 -4.92 135.00 133.12 1q2r s PRO 162 Ca -0.01 0.51 -0.11 0.00 0.02 0.00 0.00 61.00 61.41 1q2r s PRO 162 Cb -0.06 -1.62 0.07 0.00 0.02 0.00 0.00 34.50 32.90 1q2r s PRO 162 CO -0.00 -3.41 0.50 0.00 -0.33 0.00 0.00 177.00 173.76 1q2r s ALA 163 N -2.74 -1.30 0.55 -1.55 0.00 -1.26 -5.09 121.76 110.37 1q2r s ALA 163 Ca 0.67 1.80 -0.20 0.00 0.00 0.00 0.00 51.96 54.24 1q2r s ALA 163 Cb -0.20 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 1q2r s ALA 163 CO 0.60 -0.30 1.17 0.95 0.00 0.00 0.00 175.76 178.18 1q2r s THR 164 N 1.48 2.91 0.63 0.00 -4.23 -1.26 -4.75 115.64 110.41 1q2r s THR 164 Ca -0.10 0.59 0.30 0.00 -1.18 0.00 0.00 61.69 61.30 1q2r s THR 164 Cb -0.07 -3.25 0.34 0.00 1.34 0.00 0.00 72.50 70.86 1q2r s THR 164 CO -0.15 -0.10 1.97 -0.65 -0.54 0.00 0.00 174.62 175.15 1q2r h PRO 165 N 1.21 0.00 0.10 3.99 0.11 -2.00 -0.05 132.00 135.36 1q2r h PRO 165 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1q2r h PRO 165 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1q2r h PRO 165 CO 0.57 0.00 -0.05 0.77 -0.21 0.00 0.00 178.00 179.08 1q2r h SER 166 N 0.00 -0.12 -0.29 -2.05 0.02 -1.99 -2.19 113.55 106.94 1q2r h SER 166 Ca 0.08 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1q2r h SER 166 Cb 0.75 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1q2r h SER 166 CO -0.00 0.50 0.13 -0.09 -1.14 0.00 0.00 176.83 176.23 1q2r h ARG 167 N -0.83 0.42 -0.56 3.45 9.65 -1.66 -1.48 114.38 123.36 1q2r h ARG 167 Ca -0.01 -0.07 0.07 0.00 -1.10 0.00 0.00 59.98 58.87 1q2r h ARG 167 Cb 0.57 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.05 1q2r h ARG 167 CO 0.02 0.42 0.37 0.00 2.80 0.00 0.00 179.97 183.58 1q2r h ALA 168 N 0.98 1.90 0.00 2.80 0.00 -1.14 -0.26 119.26 123.55 1q2r h ALA 168 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1q2r h ALA 168 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1q2r h ALA 168 CO -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.24 1q2r h ALA 169 N 1.70 -0.01 -0.28 0.00 0.00 -0.91 -2.07 119.26 117.69 1q2r h ALA 169 Ca 0.25 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1q2r h ALA 169 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1q2r h ALA 169 CO -0.07 -0.12 0.18 0.66 0.00 0.00 0.00 179.25 179.90 1q2r h SER 170 N -0.78 0.31 -0.41 0.00 4.64 -1.04 0.25 113.55 116.53 1q2r h SER 170 Ca -0.00 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1q2r h SER 170 Cb 0.76 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.73 1q2r h SER 170 CO 0.00 0.22 0.14 -1.28 -0.87 0.00 0.00 176.83 175.04 1q2r h SER 171 N 0.37 0.13 -0.21 4.97 0.87 -1.15 0.92 113.55 119.46 1q2r h SER 171 Ca 0.11 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1q2r h SER 171 Cb -0.03 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1q2r h SER 171 CO -0.03 0.11 0.07 -0.03 -0.53 0.00 0.00 176.83 176.42 1q2r h MET 172 N 0.29 0.32 -0.33 2.24 -1.53 -0.99 -1.48 114.93 113.46 1q2r h MET 172 Ca 0.19 -0.07 -0.07 0.00 -3.44 0.00 0.00 59.70 56.32 1q2r h MET 172 Cb 0.19 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.17 1q2r h MET 172 CO -0.21 0.40 -0.10 0.93 0.14 0.00 0.00 176.91 178.08 1q2r h GLU 173 N 0.17 0.55 -0.34 0.39 5.08 -0.63 0.49 114.58 120.29 1q2r h GLU 173 Ca 0.07 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1q2r h GLU 173 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1q2r h GLU 173 CO -0.00 0.65 -0.30 -0.09 -1.00 0.00 0.00 179.01 178.26 1q2r h ARG 174 N 0.51 0.73 -0.29 2.33 2.43 -0.67 -2.14 114.38 117.28 1q2r h ARG 174 Ca 0.10 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1q2r h ARG 174 Cb 0.48 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1q2r h ARG 174 CO 0.03 0.94 0.13 0.77 -1.51 0.00 0.00 179.97 180.32 1q2r h SER 175 N 0.62 0.39 -0.81 -3.80 0.02 -0.48 0.14 113.55 109.64 1q2r h SER 175 Ca 0.07 -0.15 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1q2r h SER 175 Cb 0.82 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 1q2r h SER 175 CO 0.07 0.43 0.53 0.24 -1.14 0.00 0.00 176.83 176.96 1q2r h MET 176 N 0.33 0.96 -0.60 3.45 2.86 -0.75 0.76 114.93 121.94 1q2r h MET 176 Ca 0.10 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 1q2r h MET 176 Cb 0.15 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1q2r h MET 176 CO -0.01 0.63 -0.02 0.00 1.06 0.00 0.00 176.91 178.58 1q2r h ARG 177 N 0.99 1.06 0.00 1.72 3.08 -0.87 -1.83 114.38 118.53 1q2r h ARG 177 Ca 0.32 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1q2r h ARG 177 Cb 0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1q2r h ARG 177 CO -0.10 1.05 -0.21 -1.49 -1.07 0.00 0.00 179.97 178.15 1q2r h TRP 178 N 0.96 0.00 -0.14 3.04 6.55 0.21 -2.39 115.95 124.18 1q2r h TRP 178 Ca 0.17 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.98 1q2r h TRP 178 Cb 0.58 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.87 1q2r h TRP 178 CO 0.04 0.21 -0.00 0.00 -1.05 0.00 0.00 178.44 177.64 1q2r h ALA 179 N 1.79 0.19 -0.53 1.49 0.00 0.12 -0.84 119.26 121.48 1q2r h ALA 179 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1q2r h ALA 179 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1q2r h ALA 179 CO 0.03 -0.11 0.33 -0.22 0.00 0.00 0.00 179.25 179.28 1q2r h LYS 180 N -0.01 0.65 -0.83 0.00 1.63 -1.05 0.21 116.57 117.16 1q2r h LYS 180 Ca 0.04 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1q2r h LYS 180 Cb 0.37 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 1q2r h LYS 180 CO 0.01 0.43 0.45 0.00 -3.45 0.00 0.00 179.45 176.88 1q2r h ARG 181 N 0.67 1.16 -0.10 1.90 3.08 -1.34 -1.24 114.38 118.51 1q2r h ARG 181 Ca 0.21 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1q2r h ARG 181 Cb -0.01 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 1q2r h ARG 181 CO -0.08 0.86 0.04 0.77 -1.07 0.00 0.00 179.97 180.50 1q2r h SER 182 N 1.17 0.14 -0.93 7.04 0.02 -0.31 0.23 113.55 120.90 1q2r h SER 182 Ca 0.29 -0.15 0.12 0.00 -0.84 0.00 0.00 61.79 61.21 1q2r h SER 182 Cb 0.04 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1q2r h SER 182 CO -0.05 0.25 0.60 -0.09 -1.14 0.00 0.00 176.83 176.40 1q2r h ARG 183 N 0.02 0.86 -0.16 3.45 9.65 -0.45 0.15 114.38 127.90 1q2r h ARG 183 Ca 0.03 -0.05 -0.19 0.00 -1.10 0.00 0.00 59.98 58.68 1q2r h ARG 183 Cb 0.15 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1q2r h ARG 183 CO -0.00 0.57 -0.66 -0.44 2.80 0.00 0.00 179.97 182.24 1q2r h ASP 184 N 0.89 0.72 -0.25 -3.80 3.32 -0.76 -1.43 116.42 115.11 1q2r h ASP 184 Ca 0.45 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1q2r h ASP 184 Cb 0.51 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1q2r h ASP 184 CO -0.22 1.19 0.09 0.00 -1.72 0.00 0.00 179.24 178.58 1q2r h ALA 185 N 0.81 0.33 0.19 3.45 0.00 0.34 -1.62 119.26 122.76 1q2r h ALA 185 Ca -0.02 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1q2r h ALA 185 Cb 1.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1q2r h ALA 185 CO 0.13 -0.05 -0.24 0.35 0.00 0.00 0.00 179.25 179.43 1q2r h PHE 186 N 0.25 -0.63 0.00 0.00 3.04 -0.69 -2.59 116.94 116.32 1q2r h PHE 186 Ca 0.08 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1q2r h PHE 186 Cb 0.22 0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1q2r h PHE 186 CO -0.00 -0.35 0.00 -0.44 -2.02 0.00 0.00 178.31 175.50 1q2r h ASP 187 N -0.48 0.00 0.30 0.41 3.32 -1.16 -3.00 116.42 115.81 1q2r h ASP 187 Ca 0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1q2r h ASP 187 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1q2r h ASP 187 CO -0.09 0.00 -0.21 0.77 -1.72 0.00 0.00 179.24 178.00 1q2r h SER 188 N 0.00 0.00 -3.29 6.45 4.64 -0.87 -3.38 113.55 117.11 1q2r h SER 188 Ca 0.00 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.59 1q2r h SER 188 Cb 0.30 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.13 1q2r h SER 188 CO 0.00 0.21 -0.35 -0.13 -0.87 0.00 0.00 176.83 175.68 1q2r s ARG 189 N -4.36 2.75 0.46 4.77 0.52 -1.13 -4.92 118.95 117.03 1q2r s ARG 189 Ca -0.03 -1.58 0.13 0.00 -0.52 0.00 0.00 55.73 53.72 1q2r s ARG 189 Cb 0.14 -4.03 1.06 0.00 0.52 0.00 0.00 34.95 32.65 1q2r s ARG 189 CO 0.67 -1.13 2.07 0.87 0.02 0.00 0.00 175.30 177.79 1q2r h LYS 190 N 8.62 0.14 -0.94 3.54 1.57 -1.84 0.22 116.57 127.87 1q2r h LYS 190 Ca -0.25 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.63 1q2r h LYS 190 Cb 1.09 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.30 1q2r h LYS 190 CO 0.88 0.16 0.60 1.49 -0.57 0.00 0.00 179.45 182.02 1q2r h GLU 191 N 0.14 0.86 0.00 3.15 4.22 -1.94 -1.78 114.58 119.23 1q2r h GLU 191 Ca 0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.39 1q2r h GLU 191 Cb 0.11 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1q2r h GLU 191 CO 0.00 0.57 -0.32 0.37 -2.18 0.00 0.00 179.01 177.45 1q2r h GLN 192 N 0.89 0.00 0.00 1.92 4.15 -1.39 -3.35 115.11 117.32 1q2r h GLN 192 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.88 1q2r h GLN 192 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1q2r h GLN 192 CO -0.22 0.29 0.35 0.00 -1.93 0.00 0.00 178.83 177.32 1q2r h ALA 193 N -0.78 1.35 0.00 3.38 0.00 -0.98 0.15 119.26 122.39 1q2r h ALA 193 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1q2r h ALA 193 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1q2r h ALA 193 CO -0.03 -0.35 -0.86 0.39 0.00 0.00 0.00 179.25 178.41 1q2r n GLU 194 N -2.86 0.17 0.00 0.00 1.02 -0.68 -4.56 120.64 113.74 1q2r n GLU 194 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1q2r n GLU 194 Cb 0.40 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 -1.79 4.03 -3.83 1.62 3.02 0.06 -4.87 115.26 113.51 1q2r n ASN 195 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.45 1q2r n ASN 195 Cb 0.40 0.68 0.04 0.00 -0.61 0.00 0.00 39.78 40.28 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 -1.37 0.73 -2.69 5.41 0.00 0.32 -4.83 120.51 118.08 1q2r n ALA 196 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 53.44 51.95 1q2r n ALA 196 Cb 0.13 0.39 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.44 1.08 -0.09 0.00 0.00 0.78 -4.85 121.76 116.23 1q2r s ALA 197 Ca 0.35 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1q2r s ALA 197 Cb -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1q2r s ALA 197 CO 0.22 0.10 -0.18 -1.17 0.00 0.00 0.00 175.76 174.73 1q2r s LEU 198 N -1.86 1.87 0.04 0.00 2.96 -1.26 0.22 118.68 120.64 1q2r s LEU 198 Ca -0.02 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 1q2r s LEU 198 Cb -0.09 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 1q2r s LEU 198 CO 0.02 0.08 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.70 1q2r s PHE 199 N 0.62 2.85 0.14 5.38 0.40 -0.15 -0.42 117.98 126.79 1q2r s PHE 199 Ca -0.14 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.16 1q2r s PHE 199 Cb -0.16 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 1q2r s PHE 199 CO 0.04 0.39 0.05 0.20 0.70 0.00 0.00 175.22 176.60 1q2r s GLY 200 N -1.71 1.81 -0.14 4.36 0.00 -0.82 -1.41 107.32 109.42 1q2r s GLY 200 Ca 0.19 -1.21 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 1q2r s GLY 200 CO 0.10 -1.21 -0.11 -0.42 0.00 0.00 0.00 173.10 171.46 1q2r s ILE 201 N -1.58 3.23 0.05 0.90 1.01 -1.26 -0.17 121.20 123.37 1q2r s ILE 201 Ca 0.28 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 1q2r s ILE 201 Cb -0.11 -2.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.93 1q2r s ILE 201 CO 0.20 0.52 0.59 -1.58 0.00 0.00 0.00 174.94 174.67 1q2r s GLN 202 N 0.35 4.27 0.00 2.79 0.74 0.14 -4.87 119.66 123.08 1q2r s GLN 202 Ca -0.10 0.76 0.00 0.00 0.05 0.00 0.00 55.36 56.07 1q2r s GLN 202 Cb -0.16 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.67 1q2r s GLN 202 CO 0.05 0.53 0.00 1.04 -0.55 0.00 0.00 175.29 176.36 1q2r n GLN 203 N 2.12 3.01 0.00 1.67 1.13 -1.26 -0.67 117.38 123.38 1q2r n GLN 203 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 1q2r n GLN 203 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 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 3.76 1.25 7.00 1.08 0.00 -1.26 -4.29 105.19 112.73 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 -0.86 1.61 2.88 -1.26 -2.30 113.62 113.68 1q2r n SER 205 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1q2r n SER 205 Cb 0.00 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 63.67 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 1.10 -3.28 2.46 0.24 -1.26 -4.91 118.33 112.68 1q2r n VAL 206 Ca 0.00 -1.05 -0.42 0.00 -2.04 0.00 0.00 64.34 60.83 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 -1.12 3.16 0.34 6.34 0.08 -0.97 -4.94 117.98 120.86 1q2r s PHE 207 Ca 0.31 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.20 1q2r s PHE 207 Cb 0.17 -2.96 0.61 0.00 -0.57 0.00 0.00 43.02 40.27 1q2r s PHE 207 CO 0.20 -0.67 2.00 1.05 -0.10 0.00 0.00 175.22 177.70 1q2r h GLU 208 N 8.68 0.88 -0.95 0.44 4.11 -1.91 -0.37 114.58 125.45 1q2r h GLU 208 Ca -0.27 -0.05 0.05 0.00 0.07 0.00 0.00 59.36 59.16 1q2r h GLU 208 Cb 1.11 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 1q2r h GLU 208 CO 0.80 0.58 0.61 -2.95 0.07 0.00 0.00 179.01 178.12 1q2r h ASN 209 N 0.90 0.99 -0.28 3.06 -1.07 -1.95 0.21 115.58 117.45 1q2r h ASN 209 Ca 0.25 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.55 1q2r h ASN 209 Cb -0.09 -0.21 -0.01 0.00 -2.07 0.00 0.00 38.32 35.95 1q2r h ASN 209 CO -0.06 0.65 -0.11 -0.07 0.07 0.00 0.00 177.43 177.92 1q2r h LEU 210 N 1.14 0.57 -0.57 6.14 3.38 -1.59 -2.30 115.31 122.08 1q2r h LEU 210 Ca 0.40 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1q2r h LEU 210 Cb 0.10 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1q2r h LEU 210 CO -0.15 0.84 0.20 0.03 0.09 0.00 0.00 178.44 179.44 1q2r h ARG 211 N 0.31 0.36 0.48 1.13 2.47 0.11 0.53 114.38 119.77 1q2r h ARG 211 Ca 0.07 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 1q2r h ARG 211 Cb 0.60 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1q2r h ARG 211 CO 0.03 0.24 -0.34 0.37 0.56 0.00 0.00 179.97 180.84 1q2r h GLN 212 N 0.37 -0.77 -0.87 0.04 5.75 -0.53 -0.07 115.11 119.03 1q2r h GLN 212 Ca 0.28 0.05 0.19 0.00 -0.15 0.00 0.00 58.65 59.03 1q2r h GLN 212 Cb 0.35 0.18 -0.11 0.00 1.07 0.00 0.00 27.48 28.96 1q2r h GLN 212 CO -0.30 -0.51 0.40 0.37 -2.65 0.00 0.00 178.83 176.14 1q2r h GLN 213 N -0.80 0.46 -0.33 1.69 4.15 -0.84 0.80 115.11 120.24 1q2r h GLN 213 Ca -0.05 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 1q2r h GLN 213 Cb 0.67 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1q2r h GLN 213 CO 0.03 0.30 -0.12 1.03 -1.93 0.00 0.00 178.83 178.14 1q2r h SER 214 N 0.47 0.68 -0.64 -0.69 0.87 -0.54 -2.44 113.55 111.26 1q2r h SER 214 Ca 0.52 -0.39 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1q2r h SER 214 Cb 0.91 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 1q2r h SER 214 CO -0.47 0.91 0.40 0.00 -0.53 0.00 0.00 176.83 177.15 1q2r h ALA 215 N 0.79 0.83 -0.65 6.23 0.00 0.60 -1.28 119.26 125.77 1q2r h ALA 215 Ca 0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1q2r h ALA 215 Cb 0.64 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1q2r h ALA 215 CO 0.04 0.17 0.12 -0.44 0.00 0.00 0.00 179.25 179.14 1q2r h ASP 216 N 0.80 1.02 -0.34 0.00 3.32 -0.82 0.32 116.42 120.72 1q2r h ASP 216 Ca 0.25 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1q2r h ASP 216 Cb -0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1q2r h ASP 216 CO -0.09 1.01 0.21 0.00 -1.72 0.00 0.00 179.24 178.65 1q2r h ALA 217 N 1.05 0.43 0.00 3.45 0.00 -1.06 -0.74 119.26 122.39 1q2r h ALA 217 Ca 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1q2r h ALA 217 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1q2r h ALA 217 CO 0.01 -0.08 -0.10 -0.07 0.00 0.00 0.00 179.25 179.01 1q2r h LEU 218 N 0.44 -0.29 -1.63 0.00 4.07 -0.88 -1.79 115.31 115.23 1q2r h LEU 218 Ca 0.12 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1q2r h LEU 218 Cb -0.00 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1q2r h LEU 218 CO -0.02 -0.15 0.00 0.00 -1.08 0.00 0.00 178.44 177.19 1q2r h ALA 219 N 0.80 1.71 -0.38 1.53 0.00 -0.75 -1.24 119.26 120.93 1q2r h ALA 219 Ca 0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1q2r h ALA 219 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1q2r h ALA 219 CO -0.10 0.22 -0.09 1.49 0.00 0.00 0.00 179.25 180.78 1q2r h GLU 220 N 0.23 0.73 -0.32 0.00 4.57 -0.60 -3.12 114.58 116.06 1q2r h GLU 220 Ca 0.06 -0.28 -0.09 0.00 -1.18 0.00 0.00 59.36 57.87 1q2r h GLU 220 Cb 0.16 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1q2r h GLU 220 CO 0.00 0.87 -0.14 0.82 -1.18 0.00 0.00 179.01 179.38 1q2r h ILE 221 N 0.53 1.29 -0.55 2.32 2.04 -0.95 -3.50 117.51 118.70 1q2r h ILE 221 Ca 0.10 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1q2r h ILE 221 Cb 0.60 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1q2r h ILE 221 CO 0.04 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.20 1q2r n GLY 222 N -0.07 -0.59 3.11 5.37 0.00 -0.50 -5.12 105.19 107.39 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 0.84 0.38 1.61 0.08 -1.26 -5.03 117.98 114.60 1q2r s PHE 223 Ca 0.00 -0.56 0.18 0.00 0.12 0.00 0.00 56.93 56.67 1q2r s PHE 223 Cb 0.00 -0.49 0.99 0.00 -0.57 0.00 0.00 43.02 42.96 1q2r s PHE 223 CO 0.00 -0.06 1.93 -0.44 -0.10 0.00 0.00 175.22 176.55 1q2r h ASP 224 N 4.15 0.00 -5.05 1.36 3.32 -1.14 -3.45 116.42 115.62 1q2r h ASP 224 Ca -0.37 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 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 0.25 -0.15 -0.83 -1.72 0.00 0.00 179.24 177.24 1q2r s GLY 225 N -4.25 -0.22 -0.12 2.75 0.00 -1.18 -4.51 107.32 99.80 1q2r s GLY 225 Ca -0.03 0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.85 1q2r s GLY 225 CO 0.67 -0.10 -0.18 -0.19 0.00 0.00 0.00 173.10 173.30 1q2r s TYR 226 N -2.73 2.23 0.12 1.90 1.51 -0.77 -1.95 117.35 117.66 1q2r s TYR 226 Ca -0.04 -1.07 0.05 0.00 -1.01 0.00 0.00 57.07 55.00 1q2r s TYR 226 Cb -0.00 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1q2r s TYR 226 CO -0.04 -0.52 0.07 0.00 -1.11 0.00 0.00 175.55 173.95 1q2r s ALA 227 N 0.89 3.45 -0.27 3.71 0.00 0.76 -1.42 121.76 128.87 1q2r s ALA 227 Ca -0.08 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1q2r s ALA 227 Cb -0.15 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1q2r s ALA 227 CO -0.01 0.63 0.04 0.14 0.00 0.00 0.00 175.76 176.56 1q2r s VAL 228 N -1.52 3.80 0.23 0.00 -7.23 0.16 0.24 120.40 116.08 1q2r s VAL 228 Ca 0.29 -0.61 0.02 0.00 -1.81 0.00 0.00 61.98 59.87 1q2r s VAL 228 Cb -0.11 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 33.97 1q2r s VAL 228 CO 0.21 0.20 0.19 0.61 -0.31 0.00 0.00 175.10 176.00 1q2r n GLY 229 N 4.84 2.79 3.40 2.32 0.00 0.15 -2.72 105.19 115.97 1q2r n GLY 229 Ca -0.16 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.65 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 2.21 1.23 3.94 -0.02 0.00 -1.26 -4.64 105.19 106.65 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 3.19 -1.42 0.99 1.43 -1.26 -4.55 118.68 117.06 1q2r s LEU 231 Ca 0.00 -0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 52.19 1q2r s LEU 231 Cb 0.00 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.43 1q2r s LEU 231 CO 0.00 -0.95 0.83 0.00 0.23 0.00 0.00 176.35 176.47 1q2r n ALA 232 N -1.81 -1.65 -1.13 4.21 0.00 -1.26 -4.87 120.51 113.99 1q2r n ALA 232 Ca 0.06 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.58 1q2r n ALA 232 Cb 0.62 -3.20 0.10 0.00 0.00 0.00 0.00 19.45 16.97 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 1.42 0.00 0.00 3.14 -1.26 -4.94 118.33 112.20 1q2r n VAL 233 Ca -0.13 -1.69 0.00 0.00 -2.96 0.00 0.00 64.34 59.56 1q2r n VAL 233 Cb 0.60 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 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 -1.06 0.80 0.20 7.55 0.00 -1.26 -4.54 105.19 106.87 1q2r n GLY 234 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 0.92 -0.01 1.61 0.00 -1.26 -5.01 120.64 116.89 1q2r n GLU 235 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 57.16 56.77 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 1.25 -2.71 0.37 -1.84 0.00 -1.26 -3.95 105.19 97.05 1q2r n GLY 236 Ca 0.16 -1.38 0.01 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 -0.01 1.17 0.16 1.61 4.15 -1.99 -1.11 115.11 119.11 1q2r h GLN 237 Ca -0.00 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.35 1q2r h GLN 237 Cb 0.01 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.42 1q2r h GLN 237 CO 0.00 0.78 -0.18 -0.44 -1.93 0.00 0.00 178.83 177.06 1q2r h ASP 238 N 1.21 -0.48 -0.99 -0.69 5.19 -2.00 -0.18 116.42 118.49 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 0.07 0.17 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 1q2r h ASP 238 CO -0.15 -0.26 0.65 -0.33 -3.12 0.00 0.00 179.24 176.03 1q2r h GLU 239 N -0.38 1.29 0.24 3.56 4.39 -1.59 -1.84 114.58 120.25 1q2r h GLU 239 Ca 0.01 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1q2r h GLU 239 Cb 0.36 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1q2r h GLU 239 CO -0.05 0.86 -0.11 1.98 -1.16 0.00 0.00 179.01 180.52 1q2r h MET 240 N 1.33 -0.31 0.00 2.33 4.05 -0.82 -0.53 114.93 120.98 1q2r h MET 240 Ca 0.36 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.79 1q2r h MET 240 Cb -0.15 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1q2r h MET 240 CO -0.08 -0.12 -0.05 0.74 0.23 0.00 0.00 176.91 177.63 1q2r h PHE 241 N -0.43 0.00 -0.08 1.39 0.04 -0.90 0.97 116.94 117.93 1q2r h PHE 241 Ca -0.03 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.54 1q2r h PHE 241 Cb 0.33 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.49 1q2r h PHE 241 CO -0.03 0.05 -0.72 -0.09 -0.60 0.00 0.00 178.31 176.92 1q2r h ARG 242 N 0.00 0.63 -0.42 1.51 2.43 -0.83 -1.79 114.38 115.91 1q2r h ARG 242 Ca -0.00 -0.57 -0.10 0.00 -0.81 0.00 0.00 59.98 58.49 1q2r h ARG 242 Cb 0.10 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1q2r h ARG 242 CO 0.01 1.19 -0.14 0.28 -1.51 0.00 0.00 179.97 179.79 1q2r h VAL 243 N 0.28 1.28 -0.73 0.20 2.07 -0.26 -2.82 116.25 116.26 1q2r h VAL 243 Ca -0.07 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1q2r h VAL 243 Cb 1.37 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 1q2r h VAL 243 CO 0.15 0.43 0.49 -0.07 0.02 0.00 0.00 177.57 178.58 1q2r h LEU 244 N 0.66 0.83 -0.90 2.57 3.38 -0.85 0.59 115.31 121.59 1q2r h LEU 244 Ca 0.10 -0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.25 1q2r h LEU 244 Cb 0.69 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 1q2r h LEU 244 CO 0.05 0.60 0.45 0.44 0.09 0.00 0.00 178.44 180.07 1q2r h ASP 245 N 0.98 0.47 0.00 -0.43 3.32 -1.05 -2.59 116.42 117.12 1q2r h ASP 245 Ca 0.27 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1q2r h ASP 245 Cb -0.09 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1q2r h ASP 245 CO -0.06 0.10 -1.50 2.22 -1.72 0.00 0.00 179.24 178.28 1q2r n PHE 246 N -4.95 0.00 0.01 4.55 1.16 -0.96 -4.59 117.46 112.68 1q2r n PHE 246 Ca 0.21 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.61 1q2r n PHE 246 Cb 0.59 -0.28 -0.13 0.00 -1.61 0.00 0.00 39.48 38.06 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 0.42 -0.94 5.98 0.02 -0.62 -3.32 113.55 115.08 1q2r h SER 247 Ca 0.00 -0.86 0.01 0.00 -0.84 0.00 0.00 61.79 60.10 1q2r h SER 247 Cb 0.66 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 1q2r h SER 247 CO 0.00 1.24 0.63 0.58 -1.14 0.00 0.00 176.83 178.13 1q2r h VAL 248 N -0.33 1.24 0.00 2.27 2.07 -1.71 -1.77 116.25 118.01 1q2r h VAL 248 Ca -0.09 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1q2r h VAL 248 Cb 1.38 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1q2r h VAL 248 CO 0.11 0.23 0.00 -0.65 0.02 0.00 0.00 177.57 177.29 1q2r h PRO 249 N 1.27 0.00 0.00 1.57 0.11 -1.80 -1.49 132.00 131.66 1q2r h PRO 249 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1q2r h PRO 249 Cb -0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1q2r h PRO 249 CO -0.08 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.38 1q2r n MET 250 N -2.86 0.15 -3.54 1.05 2.81 -0.66 -4.82 117.12 109.25 1q2r n MET 250 Ca -0.01 0.16 -0.33 0.00 -1.81 0.00 0.00 57.70 55.71 1q2r n MET 250 Cb 0.16 -1.69 -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 -3.93 4.27 -0.39 4.03 1.43 -0.56 -4.81 118.68 118.71 1q2r s LEU 251 Ca 0.11 0.79 -0.38 0.00 -1.03 0.00 0.00 54.13 53.62 1q2r s LEU 251 Cb 0.14 -3.32 -0.13 0.00 0.03 0.00 0.00 46.19 42.91 1q2r s LEU 251 CO 0.54 0.06 2.18 -2.65 0.23 0.00 0.00 176.35 176.70 1q2r n PRO 252 N 0.33 0.79 -0.18 1.29 -0.02 -1.26 -4.84 135.00 131.10 1q2r n PRO 252 Ca -0.03 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 1q2r n PRO 252 Cb 0.52 -2.20 0.45 0.00 -0.02 0.00 0.00 33.50 32.25 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 11.48 0.49 -0.06 2.55 3.58 -1.90 -1.57 116.42 130.99 1q2r h ASP 253 Ca -0.22 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1q2r h ASP 253 Cb 1.35 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1q2r h ASP 253 CO 1.04 0.26 0.00 -0.90 -2.88 0.00 0.00 179.24 176.76 1q2r n ASP 254 N -4.50 0.43 -4.57 2.28 5.75 -1.26 -4.80 116.55 109.88 1q2r n ASP 254 Ca 0.14 -1.67 -0.26 0.00 -0.01 0.00 0.00 54.79 52.99 1q2r n ASP 254 Cb 0.46 -0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.93 2.06 0.32 0.11 -0.14 -0.59 -4.95 119.74 114.62 1q2r s LYS 255 Ca 0.21 -1.29 -0.28 0.00 -1.36 0.00 0.00 55.97 53.25 1q2r s LYS 255 Cb 0.10 -2.15 -0.09 0.00 -1.68 0.00 0.00 37.83 34.01 1q2r s LYS 255 CO 0.16 0.43 1.14 -1.25 -0.76 0.00 0.00 175.35 175.07 1q2r s PRO 256 N -2.89 4.43 -0.23 -1.68 0.04 -1.26 -4.90 135.00 128.52 1q2r s PRO 256 Ca 0.25 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 63.09 1q2r s PRO 256 Cb -0.09 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 1q2r s PRO 256 CO 0.15 0.01 0.04 -1.01 0.04 0.00 0.00 177.00 176.23 1q2r s HIS 257 N -1.25 3.07 -0.23 0.56 3.76 -1.26 -1.85 115.29 118.09 1q2r s HIS 257 Ca 0.49 -0.46 -0.03 0.00 -0.15 0.00 0.00 55.06 54.90 1q2r s HIS 257 Cb -0.32 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.19 1q2r s HIS 257 CO 0.41 -0.33 -0.05 -0.47 -0.85 0.00 0.00 174.74 173.46 1q2r s TYR 258 N 1.41 2.98 -0.46 1.40 5.04 -0.51 0.90 117.35 128.11 1q2r s TYR 258 Ca 0.05 -1.12 -0.16 0.00 -2.44 0.00 0.00 57.07 53.40 1q2r s TYR 258 Cb -0.15 -2.09 0.05 0.00 0.35 0.00 0.00 41.96 40.12 1q2r s TYR 258 CO 0.02 -0.61 0.42 -1.17 -1.34 0.00 0.00 175.55 172.88 1q2r s LEU 259 N 1.44 5.27 0.34 6.97 2.96 -0.68 0.40 118.68 135.37 1q2r s LEU 259 Ca 0.04 -1.05 -0.27 0.00 -0.22 0.00 0.00 54.13 52.63 1q2r s LEU 259 Cb -0.15 -2.26 -0.09 0.00 0.50 0.00 0.00 46.19 44.19 1q2r s LEU 259 CO -0.04 -0.63 1.14 -0.04 -1.32 0.00 0.00 176.35 175.45 1q2r s MET 260 N 1.90 4.38 -1.37 1.98 -1.94 -1.10 -3.95 119.30 119.20 1q2r s MET 260 Ca 0.08 1.82 -0.07 0.00 -1.71 0.00 0.00 55.69 55.81 1q2r s MET 260 Cb -0.21 -2.94 0.03 0.00 2.01 0.00 0.00 34.83 33.72 1q2r s MET 260 CO 0.09 -0.03 0.98 0.41 -0.01 0.00 0.00 175.02 176.47 1q2r n GLY 261 N 0.87 -0.44 2.91 -0.03 0.00 -0.86 -4.86 105.19 102.78 1q2r n GLY 261 Ca 0.01 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.40 1.16 0.11 1.61 1.01 -0.09 -4.89 120.40 115.91 1q2r s VAL 262 Ca 0.38 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1q2r s VAL 262 Cb -0.18 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1q2r s VAL 262 CO 0.78 0.20 0.07 0.61 0.00 0.00 0.00 175.10 176.75 1q2r n GLY 263 N 4.87 3.77 0.34 4.51 0.00 -1.26 -4.19 105.19 113.23 1q2r n GLY 263 Ca -0.12 -1.85 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 -0.02 1.61 4.81 -1.26 -4.58 118.16 118.49 1q2r n LYS 264 Ca 0.00 0.11 -0.01 0.00 -0.87 0.00 0.00 58.31 57.55 1q2r n LYS 264 Cb 0.18 -0.23 -0.01 0.00 0.02 0.00 0.00 35.03 35.00 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 0.78 -0.02 0.16 1.64 -0.02 -1.26 0.89 135.00 137.16 1q2r n PRO 265 Ca 0.00 0.11 0.04 0.00 -2.02 0.00 0.00 63.50 61.63 1q2r n PRO 265 Cb 0.00 -0.16 0.47 0.00 -0.02 0.00 0.00 33.50 33.79 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 0.15 -0.10 2.55 2.03 -2.00 -1.96 116.42 117.10 1q2r h ASP 266 Ca 0.01 -0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1q2r h ASP 266 Cb 0.02 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1q2r h ASP 266 CO -0.05 0.25 0.05 0.44 -1.03 0.00 0.00 179.24 178.89 1q2r h ASP 267 N 0.16 0.13 0.18 4.15 3.45 0.25 -1.46 116.42 123.29 1q2r h ASP 267 Ca 0.04 -0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.36 1q2r h ASP 267 Cb 0.23 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1q2r h ASP 267 CO 0.01 0.22 -0.12 0.40 -1.57 0.00 0.00 179.24 178.18 1q2r h ILE 268 N 0.03 0.73 -0.63 0.35 2.04 -1.12 0.53 117.51 119.43 1q2r h ILE 268 Ca 0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.98 1q2r h ILE 268 Cb 0.13 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 1q2r h ILE 268 CO -0.00 0.00 0.29 0.58 0.00 0.00 0.00 178.15 179.01 1q2r h VAL 269 N -0.31 0.84 -0.28 1.67 2.07 -1.28 0.87 116.25 119.82 1q2r h VAL 269 Ca -0.01 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1q2r h VAL 269 Cb 0.27 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1q2r h VAL 269 CO 0.01 0.09 0.06 1.23 0.02 0.00 0.00 177.57 178.98 1q2r h GLY 270 N 0.51 0.49 0.79 2.17 0.00 -1.02 -1.71 103.07 104.30 1q2r h GLY 270 Ca 0.31 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1q2r h GLY 270 CO -0.26 0.29 0.59 0.00 0.00 0.00 0.00 176.54 177.16 1q2r h ALA 271 N 0.89 1.25 -0.46 3.60 0.00 -0.07 -0.97 119.26 123.50 1q2r h ALA 271 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1q2r h ALA 271 Cb 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1q2r h ALA 271 CO 0.00 0.40 -0.01 0.28 0.00 0.00 0.00 179.25 179.92 1q2r h VAL 272 N 1.10 1.24 0.00 0.00 2.07 -0.62 -0.10 116.25 119.94 1q2r h VAL 272 Ca 0.39 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1q2r h VAL 272 Cb 0.10 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1q2r h VAL 272 CO -0.15 0.35 0.00 -0.33 0.02 0.00 0.00 177.57 177.46 1q2r h GLU 273 N 0.70 0.00 -0.42 1.57 5.08 -0.25 -1.77 114.58 119.49 1q2r h GLU 273 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1q2r h GLU 273 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1q2r h GLU 273 CO 0.02 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.57 1q2r n ARG 274 N -2.94 3.33 -0.25 2.33 1.74 -0.10 -4.10 116.66 116.67 1q2r n ARG 274 Ca -0.02 -2.69 0.00 0.00 -0.77 0.00 0.00 57.85 54.37 1q2r n ARG 274 Cb 0.13 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 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 0.28 0.82 3.77 -0.13 0.00 -0.67 -4.81 105.19 104.46 1q2r n GLY 275 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.11 3.77 -0.08 -0.61 -1.09 -0.90 -4.64 121.20 115.54 1q2r s ILE 276 Ca 0.00 1.53 0.09 0.00 -2.23 0.00 0.00 60.65 60.04 1q2r s ILE 276 Cb 0.00 -3.87 -0.13 0.00 -1.58 0.00 0.00 42.46 36.87 1q2r s ILE 276 CO 0.00 0.17 0.08 0.47 -1.23 0.00 0.00 174.94 174.43 1q2r n ASP 277 N 0.53 2.57 -4.09 3.58 8.00 0.26 -4.55 116.55 122.86 1q2r n ASP 277 Ca 0.02 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.37 1q2r n ASP 277 Cb 0.48 0.92 -0.12 0.00 -0.02 0.00 0.00 41.12 42.38 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 -2.36 0.61 0.02 -1.24 -1.94 -0.93 -1.09 119.30 112.37 1q2r s MET 278 Ca -0.05 -0.77 -0.01 0.00 -1.71 0.00 0.00 55.69 53.15 1q2r s MET 278 Cb 0.04 -0.45 -0.02 0.00 2.01 0.00 0.00 34.83 36.41 1q2r s MET 278 CO 0.41 0.09 -0.01 -0.06 -0.01 0.00 0.00 175.02 175.44 1q2r s PHE 279 N -1.27 0.27 -0.08 -0.03 0.40 -0.32 -1.68 117.98 115.27 1q2r s PHE 279 Ca -0.07 -0.55 -0.07 0.00 -0.60 0.00 0.00 56.93 55.64 1q2r s PHE 279 Cb -0.09 -0.20 0.02 0.00 0.51 0.00 0.00 43.02 43.26 1q2r s PHE 279 CO 0.01 -0.23 0.20 0.16 0.70 0.00 0.00 175.22 176.07 1q2r s ASP 280 N -1.64 -0.21 -0.16 1.36 -4.77 -1.26 0.35 116.67 110.35 1q2r s ASP 280 Ca -0.13 0.41 -0.30 0.00 -3.30 0.00 0.00 52.55 49.23 1q2r s ASP 280 Cb -0.08 0.40 0.12 0.00 -1.09 0.00 0.00 42.92 42.27 1q2r s ASP 280 CO -0.02 -0.08 0.96 0.00 0.70 0.00 0.00 175.17 176.72 1q2r h VAL 282 N 2.73 0.00 -0.91 0.00 -1.51 -1.94 -3.37 116.25 111.26 1q2r h VAL 282 Ca -0.20 -0.71 0.10 0.00 -1.23 0.00 0.00 66.70 64.65 1q2r h VAL 282 Cb 1.16 1.26 -0.12 0.00 -2.13 0.00 0.00 31.29 31.46 1q2r h VAL 282 CO 0.30 0.00 -0.48 -0.11 -1.23 0.00 0.00 177.57 176.05 1q2r n LEU 283 N -2.37 -0.84 -0.34 4.19 7.94 -1.26 -0.74 117.00 123.58 1q2r n LEU 283 Ca 0.02 1.60 -0.00 0.00 -1.11 0.00 0.00 56.01 56.52 1q2r n LEU 283 Cb 0.49 -0.26 0.13 0.00 0.53 0.00 0.00 43.42 44.31 1q2r n LEU 283 CO 0.38 -1.35 1.24 1.55 -1.11 0.00 0.00 177.39 178.10 1q2r h PRO 284 N 0.00 1.10 0.00 1.96 0.13 -1.94 -0.96 132.00 132.29 1q2r h PRO 284 Ca 0.20 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 65.08 1q2r h PRO 284 Cb 0.43 -0.25 0.01 0.00 0.13 0.00 0.00 31.00 31.32 1q2r h PRO 284 CO -0.87 0.73 -0.71 1.79 -0.23 0.00 0.00 178.00 178.71 1q2r h THR 285 N 1.14 1.39 -0.23 1.56 1.35 -1.39 -2.43 112.91 114.30 1q2r h THR 285 Ca 0.38 -2.13 -0.05 0.00 -0.55 0.00 0.00 66.41 64.07 1q2r h THR 285 Cb 0.05 2.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 1q2r h THR 285 CO -0.14 0.63 -0.03 -0.09 -0.25 0.00 0.00 175.52 175.64 1q2r h ARG 286 N 0.01 0.43 -0.34 4.72 2.43 -0.91 -2.61 114.38 118.11 1q2r h ARG 286 Ca -0.09 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 1q2r h ARG 286 Cb 1.41 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 1q2r h ARG 286 CO 0.14 0.64 -0.02 0.77 -1.51 0.00 0.00 179.97 179.99 1q2r h SER 287 N 0.18 0.51 -0.62 -3.80 0.02 -1.29 -1.64 113.55 106.91 1q2r h SER 287 Ca 0.06 -0.10 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1q2r h SER 287 Cb 0.47 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1q2r h SER 287 CO 0.02 0.59 0.37 1.23 -1.14 0.00 0.00 176.83 177.90 1q2r h GLY 288 N 0.86 0.89 1.86 -3.77 0.00 -1.29 0.32 103.07 101.95 1q2r h GLY 288 Ca 0.11 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1q2r h GLY 288 CO 0.01 0.21 -0.34 3.21 0.00 0.00 0.00 176.54 179.64 1q2r h ARG 289 N 0.72 0.16 0.00 4.80 3.08 -0.99 -2.93 114.38 119.22 1q2r h ARG 289 Ca 0.26 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1q2r h ARG 289 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1q2r h ARG 289 CO -0.12 0.48 -0.38 0.09 -1.07 0.00 0.00 179.97 178.96 1q2r n ASN 290 N -4.10 0.44 0.00 7.04 3.02 -0.69 -4.84 115.26 116.14 1q2r n ASN 290 Ca -0.01 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1q2r n ASN 290 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.83 3.66 7.41 0.00 0.19 -4.96 105.19 113.78 1q2r n GLY 291 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.61 4.15 -0.05 1.61 0.74 0.88 -1.47 119.66 124.91 1q2r s GLN 292 Ca 0.00 0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.68 1q2r s GLN 292 Cb 0.00 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.52 1q2r s GLN 292 CO 0.00 -0.11 -0.11 0.00 -0.55 0.00 0.00 175.29 174.52 1q2r s ALA 293 N 1.54 2.82 -0.12 1.58 0.00 -0.06 -3.48 121.76 124.05 1q2r s ALA 293 Ca 0.20 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 1q2r s ALA 293 Cb -0.15 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 1q2r s ALA 293 CO 0.09 0.57 0.28 -0.06 0.00 0.00 0.00 175.76 176.63 1q2r s PHE 294 N -0.78 3.55 0.21 0.00 0.08 -1.26 -1.00 117.98 118.78 1q2r s PHE 294 Ca 0.12 0.66 -0.03 0.00 0.12 0.00 0.00 56.93 57.81 1q2r s PHE 294 Cb -0.11 -2.24 -0.03 0.00 -0.57 0.00 0.00 43.02 40.07 1q2r s PHE 294 CO 0.01 0.43 0.19 0.95 -0.10 0.00 0.00 175.22 176.71 1q2r s THR 295 N -0.19 0.00 -0.68 0.64 -4.23 -0.92 -4.84 115.64 105.43 1q2r s THR 295 Ca 0.17 -1.90 0.13 0.00 -1.18 0.00 0.00 61.69 58.91 1q2r s THR 295 Cb -0.14 -2.46 0.13 0.00 1.34 0.00 0.00 72.50 71.38 1q2r s THR 295 CO 0.06 0.00 1.40 0.79 -0.54 0.00 0.00 174.62 176.33 1q2r n TRP 296 N -0.31 0.35 -2.02 3.99 7.02 -1.26 -1.88 117.44 123.34 1q2r n TRP 296 Ca 0.02 0.16 -0.28 0.00 -1.02 0.00 0.00 57.50 56.38 1q2r n TRP 296 Cb 0.65 -0.76 0.03 0.00 -2.42 0.00 0.00 31.31 28.80 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 -1.84 5.51 0.00 -0.99 8.00 -1.26 -3.22 116.55 122.74 1q2r n ASP 297 Ca 0.01 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.75 1q2r n ASP 297 Cb 0.08 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 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 -0.67 -2.31 3.88 0.44 0.00 -0.79 -4.08 105.19 101.65 1q2r n GLY 298 Ca 0.46 -1.55 -0.30 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 -0.63 3.60 -0.07 1.61 0.02 -1.26 -2.16 135.00 136.11 1q2r s PRO 299 Ca 0.00 0.66 -0.05 0.00 0.02 0.00 0.00 61.00 61.63 1q2r s PRO 299 Cb 0.00 -2.13 0.02 0.00 0.02 0.00 0.00 34.50 32.41 1q2r s PRO 299 CO 0.00 -0.49 0.17 0.96 -0.33 0.00 0.00 177.00 177.31 1q2r s ILE 300 N -3.08 -0.01 -0.50 2.83 -4.36 -0.17 -4.93 121.20 110.98 1q2r s ILE 300 Ca 0.54 0.05 -0.20 0.00 -0.26 0.00 0.00 60.65 60.77 1q2r s ILE 300 Cb -0.11 -0.26 0.05 0.00 1.25 0.00 0.00 42.46 43.39 1q2r s ILE 300 CO 0.52 0.02 0.69 0.21 0.24 0.00 0.00 174.94 176.62 1q2r s ASN 301 N 0.43 6.27 0.60 4.36 3.84 -1.26 -0.88 114.94 128.29 1q2r s ASN 301 Ca -0.03 -0.67 0.35 0.00 0.21 0.00 0.00 52.86 52.73 1q2r s ASN 301 Cb -0.04 -2.32 1.90 0.00 -0.55 0.00 0.00 41.25 40.24 1q2r s ASN 301 CO -0.02 -0.93 2.22 -0.29 -2.79 0.00 0.00 177.10 175.29 1q2r h ILE 302 N 5.90 0.27 0.00 -5.21 6.09 -1.65 -2.13 117.51 120.77 1q2r h ILE 302 Ca -0.27 -0.21 -0.04 0.00 -1.37 0.00 0.00 64.86 62.98 1q2r h ILE 302 Cb 1.09 1.16 -0.01 0.00 0.47 0.00 0.00 36.82 39.54 1q2r h ILE 302 CO 0.97 0.03 -0.17 0.03 -3.07 0.00 0.00 178.15 175.94 1q2r h ARG 303 N 0.00 0.00 -6.43 2.19 -0.00 -1.90 -3.43 114.38 104.81 1q2r h ARG 303 Ca -0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 58.88 1q2r h ARG 303 Cb 0.16 0.00 0.15 0.00 0.00 0.00 0.00 29.97 30.28 1q2r h ARG 303 CO 0.00 0.17 -0.27 0.09 0.00 0.00 0.00 179.97 179.96 1q2r n ASN 304 N -3.85 -0.42 -0.34 7.04 5.03 -0.80 -4.89 115.26 117.02 1q2r n ASN 304 Ca -0.02 0.91 0.04 0.00 0.87 0.00 0.00 54.58 56.38 1q2r n ASN 304 Cb 0.27 -1.18 0.19 0.00 -1.02 0.00 0.00 39.78 38.04 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 0.85 1.35 0.00 5.41 0.00 -1.90 -2.71 119.26 122.26 1q2r h ALA 305 Ca -0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1q2r h ALA 305 Cb 1.39 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1q2r h ALA 305 CO 0.52 0.27 0.06 2.89 0.00 0.00 0.00 179.25 182.98 1q2r n ARG 306 N -4.61 0.00 0.00 0.00 1.85 -1.26 -1.46 116.66 111.17 1q2r n ARG 306 Ca 0.16 0.18 0.05 0.00 -1.00 0.00 0.00 57.85 57.24 1q2r n ARG 306 Cb 0.26 -1.56 0.01 0.00 -1.05 0.00 0.00 32.46 30.12 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 -0.19 2.89 3.72 -1.02 -4.51 117.46 117.23 1q2r n PHE 307 Ca 0.00 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.58 1q2r n PHE 307 Cb 0.06 0.00 0.53 0.00 -0.94 0.00 0.00 39.48 39.13 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 1.44 0.36 0.00 4.37 4.64 -1.43 -2.75 113.55 120.18 1q2r h SER 308 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1q2r h SER 308 Cb 0.39 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1q2r h SER 308 CO 0.00 0.17 -0.28 -0.62 -0.87 0.00 0.00 176.83 175.23 1q2r n GLU 309 N -4.47 0.92 -2.77 4.77 1.02 -1.26 -4.69 120.64 114.16 1q2r n GLU 309 Ca 0.16 -2.27 -0.42 0.00 -0.02 0.00 0.00 57.16 54.61 1q2r n GLU 309 Cb 0.62 -1.16 -0.04 0.00 -0.02 0.00 0.00 31.44 30.84 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 -2.41 6.23 0.58 1.62 -1.08 -1.04 -4.90 116.67 115.66 1q2r s ASP 310 Ca 0.25 -0.63 0.35 0.00 -0.52 0.00 0.00 52.55 52.01 1q2r s ASP 310 Cb 0.23 -2.46 1.68 0.00 -1.46 0.00 0.00 42.92 40.92 1q2r s ASP 310 CO -0.01 -1.47 2.11 -0.07 0.52 0.00 0.00 175.17 176.26 1q2r h LEU 311 N 11.63 0.00-10.17 -1.34 -0.00 -1.95 -0.88 115.31 112.60 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 1.18 0.03 0.40 -0.54 -0.00 0.00 0.00 178.44 179.51 1q2r s LYS 312 N -3.91 1.98 0.97 1.13 1.02 -1.26 -4.37 119.74 115.30 1q2r s LYS 312 Ca -0.01 1.84 -0.13 0.00 0.02 0.00 0.00 55.97 57.69 1q2r s LYS 312 Cb 0.11 -1.81 0.17 0.00 -0.52 0.00 0.00 37.83 35.78 1q2r s LYS 312 CO 0.52 -1.97 1.12 -1.25 -0.92 0.00 0.00 175.35 172.84 1q2r s PRO 313 N -3.89 0.69 0.20 -1.68 0.04 -1.26 -0.32 135.00 128.79 1q2r s PRO 313 Ca 0.76 0.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 1q2r s PRO 313 Cb -0.31 -1.78 0.25 0.00 0.04 0.00 0.00 34.50 32.69 1q2r s PRO 313 CO 0.46 -2.52 1.69 -0.07 0.04 0.00 0.00 177.00 176.61 1q2r h LEU 314 N -1.73 -0.11 -8.02 -3.56 3.38 -1.88 -3.42 115.31 99.97 1q2r h LEU 314 Ca -0.52 0.12 -0.40 0.00 0.09 0.00 0.00 57.88 57.17 1q2r h LEU 314 Cb 1.33 0.19 -0.29 0.00 0.09 0.00 0.00 40.66 41.98 1q2r h LEU 314 CO 0.59 -0.04 -0.78 -0.62 0.09 0.00 0.00 178.44 177.68 1q2r s ASP 315 N -5.27 1.07 0.25 -0.43 2.15 -1.26 -4.96 116.67 108.23 1q2r s ASP 315 Ca -0.13 -0.17 -0.01 0.00 0.43 0.00 0.00 52.55 52.67 1q2r s ASP 315 Cb 0.17 -0.15 0.32 0.00 -0.30 0.00 0.00 42.92 42.95 1q2r s ASP 315 CO 0.73 0.10 1.71 0.77 -0.17 0.00 0.00 175.17 178.31 1q2r h SER 316 N 6.02 0.68 0.01 -0.34 4.64 -1.98 -3.32 113.55 119.25 1q2r h SER 316 Ca -0.31 -0.21 -0.19 0.00 -0.47 0.00 0.00 61.79 60.61 1q2r h SER 316 Cb 1.18 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1q2r h SER 316 CO 0.49 0.84 -1.03 -0.33 -0.87 0.00 0.00 176.83 175.94 1q2r h GLU 317 N 0.63 0.02 -5.56 4.77 4.39 -1.98 -3.48 114.58 113.36 1q2r h GLU 317 Ca 0.10 -0.03 -0.63 0.00 0.34 0.00 0.00 59.36 59.14 1q2r h GLU 317 Cb 0.60 0.01 0.10 0.00 -0.10 0.00 0.00 28.75 29.35 1q2r h GLU 317 CO 0.04 1.01 -0.43 0.00 -1.16 0.00 0.00 179.01 178.48 1q2r n HIS 319 N 0.16 2.28 -2.33 0.00 1.44 -1.26 -4.81 115.22 110.71 1q2r n HIS 319 Ca 0.17 -2.97 -0.25 0.00 -2.01 0.00 0.00 57.72 52.66 1q2r n HIS 319 Cb 0.21 -0.23 0.09 0.00 0.12 0.00 0.00 29.99 30.18 1q2r n HIS 319 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1q2r h ALA 321 N -0.64 0.40 0.33 0.00 0.00 -1.97 -1.28 119.26 116.09 1q2r h ALA 321 Ca -0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1q2r h ALA 321 Cb 1.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1q2r h ALA 321 CO 0.50 -0.17 -0.32 0.28 0.00 0.00 0.00 179.25 179.53 1q2r h VAL 322 N 0.38 0.33 0.00 0.00 2.07 -1.94 -0.78 116.25 116.31 1q2r h VAL 322 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1q2r h VAL 322 Cb -0.00 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1q2r h VAL 322 CO -0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.53 1q2r h GLN 324 N 0.00 0.00 0.00 0.00 1.08 -0.21 -3.43 115.11 112.55 1q2r h GLN 324 Ca 0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1q2r h GLN 324 Cb 0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1q2r h GLN 324 CO 0.00 0.23 -1.24 1.17 -0.95 0.00 0.00 178.83 178.03 1q2r n LYS 325 N -2.92 0.10 -3.34 1.46 4.81 -0.40 -5.07 118.16 112.80 1q2r n LYS 325 Ca -0.03 0.03 -0.20 0.00 -0.87 0.00 0.00 58.31 57.23 1q2r n LYS 325 Cb 0.71 -0.99 0.01 0.00 0.02 0.00 0.00 35.03 34.77 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 2.21 0.37 5.64 0.51 -0.38 -5.10 118.94 120.11 1q2r s TRP 326 Ca -0.06 -0.59 0.08 0.00 -2.12 0.00 0.00 56.10 53.42 1q2r s TRP 326 Cb 0.02 -2.19 -0.06 0.00 -0.81 0.00 0.00 33.47 30.42 1q2r s TRP 326 CO 0.09 -0.53 0.02 -1.54 -0.51 0.00 0.00 176.95 174.49 1q2r s SER 327 N -4.35 4.08 0.24 2.95 1.04 -1.26 -4.48 113.70 111.93 1q2r s SER 327 Ca 0.51 -1.12 -0.06 0.00 0.48 0.00 0.00 55.95 55.76 1q2r s SER 327 Cb -0.05 -0.46 0.24 0.00 0.10 0.00 0.00 66.02 65.85 1q2r s SER 327 CO 0.31 -0.33 1.91 0.03 0.98 0.00 0.00 173.24 176.14 1q2r h ARG 328 N 1.77 1.29 -0.73 4.02 3.08 -0.48 -1.86 114.38 121.48 1q2r h ARG 328 Ca -0.43 -0.09 0.11 0.00 0.07 0.00 0.00 59.98 59.64 1q2r h ARG 328 Cb 1.25 -0.28 -0.08 0.00 0.08 0.00 0.00 29.97 30.94 1q2r h ARG 328 CO 0.71 0.87 0.35 0.00 -1.07 0.00 0.00 179.97 180.84 1q2r h ALA 329 N 1.34 1.03 -0.00 0.04 0.00 -1.09 0.46 119.26 121.04 1q2r h ALA 329 Ca 0.35 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1q2r h ALA 329 Cb -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1q2r h ALA 329 CO -0.07 -0.08 -0.01 -0.92 0.00 0.00 0.00 179.25 178.17 1q2r h TYR 330 N 0.58 0.01 0.00 0.00 3.20 -1.71 -2.43 116.97 116.62 1q2r h TYR 330 Ca 0.37 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1q2r h TYR 330 Cb 0.44 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1q2r h TYR 330 CO -0.12 0.58 -0.06 0.82 -1.64 0.00 0.00 178.16 177.74 1q2r h ILE 331 N -0.55 0.37 0.56 1.81 2.04 -1.01 -0.75 117.51 119.97 1q2r h ILE 331 Ca 0.00 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1q2r h ILE 331 Cb 0.58 1.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1q2r h ILE 331 CO 0.00 0.06 -0.27 -0.74 0.00 0.00 0.00 178.15 177.21 1q2r h HIS 332 N 0.00 -0.69 -0.36 1.37 2.76 -0.01 -2.56 115.15 115.65 1q2r h HIS 332 Ca -0.00 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1q2r h HIS 332 Cb 0.24 0.23 -0.08 0.00 1.55 0.00 0.00 27.41 29.34 1q2r h HIS 332 CO 0.00 -0.43 -0.51 1.25 -1.30 0.00 0.00 177.93 176.94 1q2r h HIS 333 N -0.99 -1.53 -0.30 5.26 -0.00 -0.89 -1.69 115.15 115.01 1q2r h HIS 333 Ca -0.08 0.07 0.04 0.00 -0.00 0.00 0.00 60.37 60.40 1q2r h HIS 333 Cb 0.57 0.72 -0.06 0.00 -0.00 0.00 0.00 27.41 28.64 1q2r h HIS 333 CO 0.03 -0.48 -0.40 -0.07 -0.00 0.00 0.00 177.93 177.01 1q2r h LEU 334 N -0.41 -1.34 -0.15 0.26 4.07 -1.21 0.71 115.31 117.25 1q2r h LEU 334 Ca 0.09 0.18 0.05 0.00 0.08 0.00 0.00 57.88 58.28 1q2r h LEU 334 Cb 0.61 0.55 -0.06 0.00 1.08 0.00 0.00 40.66 42.84 1q2r h LEU 334 CO -0.56 -0.28 -0.23 0.40 -1.08 0.00 0.00 178.44 176.68 1q2r h ILE 335 N -0.28 0.43 -0.62 1.22 1.08 -1.25 0.54 117.51 118.63 1q2r h ILE 335 Ca 0.05 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1q2r h ILE 335 Cb 0.42 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 1q2r h ILE 335 CO -0.43 0.00 0.27 0.03 -0.69 0.00 0.00 178.15 177.32 1q2r h ARG 336 N -0.29 0.90 0.00 2.37 3.08 -0.96 0.36 114.38 119.84 1q2r h ARG 336 Ca 0.11 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1q2r h ARG 336 Cb 0.45 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1q2r h ARG 336 CO -0.31 0.72 0.00 0.00 -1.07 0.00 0.00 179.97 179.31 1q2r n ALA 337 N -2.45 1.66 -0.89 0.04 0.00 0.25 -4.85 120.51 114.28 1q2r n ALA 337 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q2r n ALA 337 Cb 0.16 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1q2r n ALA 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q2r n GLY 338 N -0.07 0.76 3.76 0.00 0.00 0.12 -5.02 105.19 104.73 1q2r n GLY 338 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.11 3.38 0.08 1.61 0.41 -0.06 -4.96 118.70 119.06 1q2r s GLU 339 Ca 0.00 2.28 -0.16 0.00 -0.41 0.00 0.00 54.97 56.67 1q2r s GLU 339 Cb 0.00 -2.42 -0.10 0.00 -1.78 0.00 0.00 34.13 29.83 1q2r s GLU 339 CO 0.00 -1.01 1.41 0.82 -0.49 0.00 0.00 175.26 175.99 1q2r h ILE 340 N 1.80 1.31 -0.96 -1.63 2.04 -1.95 -2.75 117.51 115.37 1q2r h ILE 340 Ca -0.51 -1.37 0.27 0.00 1.00 0.00 0.00 64.86 64.25 1q2r h ILE 340 Cb 1.28 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.94 1q2r h ILE 340 CO 0.59 0.43 0.68 0.25 0.00 0.00 0.00 178.15 180.09 1q2r h LEU 341 N 0.31 0.09 0.14 1.44 5.85 -1.95 0.34 115.31 121.52 1q2r h LEU 341 Ca 0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1q2r h LEU 341 Cb 0.77 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1q2r h LEU 341 CO 0.06 0.03 -0.10 1.23 -0.34 0.00 0.00 178.44 179.31 1q2r h GLY 342 N 0.08 -0.24 1.02 3.75 0.00 -1.79 0.24 103.07 106.14 1q2r h GLY 342 Ca 0.47 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.89 1q2r h GLY 342 CO -0.05 -0.11 0.38 0.00 0.00 0.00 0.00 176.54 176.76 1q2r h ALA 343 N 0.61 0.98 0.07 3.60 0.00 -0.49 -1.35 119.26 122.68 1q2r h ALA 343 Ca -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1q2r h ALA 343 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1q2r h ALA 343 CO -0.01 0.53 -0.13 0.52 0.00 0.00 0.00 179.25 180.17 1q2r h MET 344 N 1.07 -0.24 -0.02 0.00 2.07 -0.54 -1.94 114.93 115.33 1q2r h MET 344 Ca 0.26 0.02 -0.00 0.00 -2.07 0.00 0.00 59.70 57.91 1q2r h MET 344 Cb 0.09 0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.88 1q2r h MET 344 CO -0.04 -0.16 0.00 -0.07 1.07 0.00 0.00 176.91 177.72 1q2r h LEU 345 N -0.25 0.03 -0.43 1.22 4.07 -0.34 -2.50 115.31 117.11 1q2r h LEU 345 Ca 0.02 -0.23 0.06 0.00 0.08 0.00 0.00 57.88 57.81 1q2r h LEU 345 Cb 0.27 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 41.94 1q2r h LEU 345 CO -0.07 0.25 0.12 0.24 -1.08 0.00 0.00 178.44 177.90 1q2r h MET 346 N -0.19 0.25 -0.37 1.13 2.86 -1.23 -2.20 114.93 115.18 1q2r h MET 346 Ca 0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1q2r h MET 346 Cb 0.24 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1q2r h MET 346 CO 0.00 0.17 0.18 1.15 1.06 0.00 0.00 176.91 179.46 1q2r h THR 347 N 0.26 1.17 -0.20 2.22 2.02 -1.35 -1.14 112.91 115.89 1q2r h THR 347 Ca 0.20 -0.48 0.05 0.00 0.77 0.00 0.00 66.41 66.95 1q2r h THR 347 Cb 0.23 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 1q2r h THR 347 CO -0.24 0.18 -0.12 -0.08 0.37 0.00 0.00 175.52 175.63 1q2r h GLU 348 N 0.46 -0.11 0.38 6.66 4.81 -1.17 0.49 114.58 126.10 1q2r h GLU 348 Ca 0.13 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1q2r h GLU 348 Cb 0.12 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1q2r h GLU 348 CO -0.02 -0.07 -0.45 1.25 -0.73 0.00 0.00 179.01 178.99 1q2r h HIS 349 N -0.11 -1.26 -0.33 0.92 2.76 -1.20 0.35 115.15 116.28 1q2r h HIS 349 Ca 0.11 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.37 1q2r h HIS 349 Cb 0.28 0.50 -0.08 0.00 1.55 0.00 0.00 27.41 29.66 1q2r h HIS 349 CO -0.27 -0.60 -0.19 -0.91 -1.30 0.00 0.00 177.93 174.66 1q2r h ASN 350 N -0.87 -0.62 0.13 3.26 2.35 -0.89 0.74 115.58 119.69 1q2r h ASN 350 Ca -0.03 0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1q2r h ASN 350 Cb 0.79 0.33 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 1q2r h ASN 350 CO -0.11 -0.22 -0.13 0.40 -1.65 0.00 0.00 177.43 175.72 1q2r h ILE 351 N -0.14 1.10 -0.02 2.81 5.03 -0.74 -0.59 117.51 124.96 1q2r h ILE 351 Ca 0.17 -0.48 -0.25 0.00 -0.12 0.00 0.00 64.86 64.18 1q2r h ILE 351 Cb 0.40 1.25 0.01 0.00 -3.03 0.00 0.00 36.82 35.45 1q2r h ILE 351 CO -0.41 0.14 -0.98 0.00 -0.68 0.00 0.00 178.15 176.22 1q2r h ALA 352 N 1.85 0.22 -0.45 1.87 0.00 0.91 -2.37 119.26 121.29 1q2r h ALA 352 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1q2r h ALA 352 Cb 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1q2r h ALA 352 CO 0.02 0.72 0.20 0.35 0.00 0.00 0.00 179.25 180.53 1q2r h PHE 353 N 0.37 0.68 -0.47 0.00 3.57 0.10 0.86 116.94 122.05 1q2r h PHE 353 Ca -0.11 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.38 1q2r h PHE 353 Cb 1.62 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 40.12 1q2r h PHE 353 CO 0.09 0.57 0.26 1.88 -2.23 0.00 0.00 178.31 178.88 1q2r h TYR 354 N 0.59 0.49 -0.83 0.41 -1.99 -1.12 0.45 116.97 114.97 1q2r h TYR 354 Ca 0.15 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.87 1q2r h TYR 354 Cb 0.16 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 38.70 1q2r h TYR 354 CO -0.00 0.27 0.42 1.96 -0.00 0.00 0.00 178.16 180.81 1q2r h GLN 355 N 0.52 1.18 0.00 4.88 1.08 -0.94 -0.32 115.11 121.52 1q2r h GLN 355 Ca 0.19 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 1q2r h GLN 355 Cb 0.05 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 1q2r h GLN 355 CO -0.11 0.89 -0.29 1.96 -0.95 0.00 0.00 178.83 180.33 1q2r h GLN 356 N 1.18 0.00 -0.11 1.46 4.20 0.01 0.69 115.11 122.54 1q2r h GLN 356 Ca 0.29 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 1q2r h GLN 356 Cb 0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1q2r h GLN 356 CO -0.04 0.29 -0.09 1.25 -0.67 0.00 0.00 178.83 179.57 1q2r h LEU 357 N 0.00 0.26 -1.34 1.46 5.85 0.33 -1.27 115.31 120.60 1q2r h LEU 357 Ca -0.00 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 1q2r h LEU 357 Cb 0.52 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1q2r h LEU 357 CO 0.04 0.67 -0.08 0.24 -0.34 0.00 0.00 178.44 178.97 1q2r h MET 358 N -0.14 0.34 0.10 1.25 2.86 -0.68 0.11 114.93 118.76 1q2r h MET 358 Ca 0.02 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1q2r h MET 358 Cb 0.59 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1q2r h MET 358 CO 0.02 0.44 -0.05 0.37 1.06 0.00 0.00 176.91 178.75 1q2r h GLN 359 N 0.32 -0.13 -0.59 1.72 5.75 -0.66 0.15 115.11 121.68 1q2r h GLN 359 Ca 0.07 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1q2r h GLN 359 Cb 0.36 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 1q2r h GLN 359 CO 0.02 0.06 0.33 0.87 -2.65 0.00 0.00 178.83 177.46 1q2r h LYS 360 N -0.31 0.81 -0.31 1.69 1.57 -0.82 -0.83 116.57 118.37 1q2r h LYS 360 Ca -0.01 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1q2r h LYS 360 Cb 0.26 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1q2r h LYS 360 CO 0.02 0.62 0.06 0.82 -0.57 0.00 0.00 179.45 180.40 1q2r h ILE 361 N 0.79 0.85 -0.51 1.86 2.04 -0.59 0.60 117.51 122.57 1q2r h ILE 361 Ca 0.21 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1q2r h ILE 361 Cb 0.03 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1q2r h ILE 361 CO -0.03 0.03 0.30 0.03 0.00 0.00 0.00 178.15 178.47 1q2r h ARG 362 N 0.17 0.69 -0.55 2.37 3.08 -0.67 -2.78 114.38 116.69 1q2r h ARG 362 Ca 0.14 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1q2r h ARG 362 Cb 0.15 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1q2r h ARG 362 CO -0.19 0.52 0.35 -0.44 -1.07 0.00 0.00 179.97 179.14 1q2r h ASP 363 N 0.68 0.65 -0.20 7.04 5.19 -0.56 -2.68 116.42 126.53 1q2r h ASP 363 Ca 0.18 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1q2r h ASP 363 Cb 0.01 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 1q2r h ASP 363 CO -0.03 0.50 0.07 0.77 -3.12 0.00 0.00 179.24 177.43 1q2r h SER 364 N 0.75 0.35 0.85 6.45 4.64 -0.71 -2.23 113.55 123.65 1q2r h SER 364 Ca 0.20 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.36 1q2r h SER 364 Cb -0.04 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1q2r h SER 364 CO -0.04 0.36 -0.58 0.40 -0.87 0.00 0.00 176.83 176.10 1q2r h ILE 365 N 0.39 1.22 -0.13 0.95 2.04 -1.22 0.31 117.51 121.08 1q2r h ILE 365 Ca 0.09 -2.12 -0.21 0.00 1.00 0.00 0.00 64.86 63.63 1q2r h ILE 365 Cb 0.15 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1q2r h ILE 365 CO -0.00 0.57 -0.75 0.28 0.00 0.00 0.00 178.15 178.24 1q2r h SER 366 N 0.00 0.76 -0.11 1.72 0.02 -1.14 -2.96 113.55 111.84 1q2r h SER 366 Ca -0.01 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1q2r h SER 366 Cb 1.16 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1q2r h SER 366 CO 0.08 1.27 0.00 -0.62 -1.14 0.00 0.00 176.83 176.41 1q2r n GLU 367 N -3.90 1.52 -3.52 3.45 1.02 -0.92 -4.94 120.64 113.36 1q2r n GLU 367 Ca -0.06 -0.78 -0.22 0.00 -0.02 0.00 0.00 57.16 56.08 1q2r n GLU 367 Cb 0.72 -1.37 0.08 0.00 -0.02 0.00 0.00 31.44 30.85 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 1.04 -0.45 1.19 0.62 0.00 -0.65 -4.90 105.19 102.03 1q2r n GLY 368 Ca 0.16 0.20 0.03 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.71 0.00 -0.09 1.61 1.85 0.10 -4.87 116.66 110.55 1q2r n ARG 369 Ca -0.01 -1.67 -0.09 0.00 -1.00 0.00 0.00 57.85 55.08 1q2r n ARG 369 Cb 0.56 -0.14 -0.01 0.00 -1.05 0.00 0.00 32.46 31.82 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 0.68 0.38 -0.62 2.89 3.57 -1.77 -2.14 116.94 119.94 1q2r h PHE 370 Ca -0.17 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.47 1q2r h PHE 370 Cb 1.74 -0.12 -0.09 0.00 2.79 0.00 0.00 35.95 40.26 1q2r h PHE 370 CO 0.15 0.23 0.12 1.03 -2.23 0.00 0.00 178.31 177.60 1q2r h SER 371 N 0.41 -0.03 -0.65 0.41 0.87 -1.89 0.25 113.55 112.92 1q2r h SER 371 Ca 0.12 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 1q2r h SER 371 Cb -0.02 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 1q2r h SER 371 CO -0.04 -0.01 0.12 -0.61 -0.53 0.00 0.00 176.83 175.76 1q2r h GLN 372 N 0.24 1.06 0.10 2.24 5.75 -1.86 -2.84 115.11 119.80 1q2r h GLN 372 Ca 0.33 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1q2r h GLN 372 Cb 0.50 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 1q2r h GLN 372 CO -0.43 0.97 -0.29 0.35 -2.65 0.00 0.00 178.83 176.77 1q2r h PHE 373 N 0.98 -0.79 -0.46 3.99 3.57 -0.41 -0.17 116.94 123.63 1q2r h PHE 373 Ca 0.20 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.80 1q2r h PHE 373 Cb 0.41 0.34 -0.10 0.00 2.79 0.00 0.00 35.95 39.39 1q2r h PHE 373 CO 0.03 -0.40 -0.41 0.00 -2.23 0.00 0.00 178.31 175.31 1q2r h ALA 374 N 0.21 -0.34 0.38 2.41 0.00 -0.93 0.63 119.26 121.62 1q2r h ALA 374 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1q2r h ALA 374 Cb 0.54 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1q2r h ALA 374 CO -0.18 -0.82 -0.52 0.37 0.00 0.00 0.00 179.25 178.10 1q2r h GLN 375 N -0.28 -0.89 -0.68 0.00 4.15 -1.24 0.13 115.11 116.29 1q2r h GLN 375 Ca 0.16 0.06 0.18 0.00 0.77 0.00 0.00 58.65 59.82 1q2r h GLN 375 Cb 0.57 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 1q2r h GLN 375 CO -0.61 -0.60 0.48 -0.44 -1.93 0.00 0.00 178.83 175.74 1q2r h ASP 376 N -0.93 0.10 0.33 -0.69 3.32 -0.37 -1.23 116.42 116.95 1q2r h ASP 376 Ca -0.04 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1q2r h ASP 376 Cb 0.84 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1q2r h ASP 376 CO -0.14 0.05 -0.16 0.15 -1.72 0.00 0.00 179.24 177.42 1q2r h PHE 377 N 0.11 -0.41 -0.77 4.55 3.57 0.14 -2.79 116.94 121.33 1q2r h PHE 377 Ca 0.33 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.93 1q2r h PHE 377 Cb 1.15 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.97 1q2r h PHE 377 CO -0.00 -0.13 0.51 0.00 -2.23 0.00 0.00 178.31 176.45 1q2r h ARG 378 N -1.04 0.60 0.45 1.11 3.08 -0.38 0.22 114.38 118.42 1q2r h ARG 378 Ca -0.05 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1q2r h ARG 378 Cb 0.46 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1q2r h ARG 378 CO 0.07 0.40 -0.23 0.00 -1.07 0.00 0.00 179.97 179.14 1q2r h ALA 379 N 1.62 -1.15 -0.57 0.04 0.00 -1.30 -1.49 119.26 116.41 1q2r h ALA 379 Ca 0.37 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1q2r h ALA 379 Cb 0.58 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1q2r h ALA 379 CO -0.14 -1.11 0.36 -0.09 0.00 0.00 0.00 179.25 178.27 1q2r h ARG 380 N -0.62 0.70 -0.19 0.00 2.43 -1.17 -1.44 114.38 114.09 1q2r h ARG 380 Ca -0.06 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1q2r h ARG 380 Cb 0.48 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1q2r h ARG 380 CO 0.10 0.46 0.05 -0.92 -1.51 0.00 0.00 179.97 178.15 1q2r h TYR 381 N 0.72 0.10 0.00 2.20 3.20 -0.55 -2.14 116.97 120.49 1q2r h TYR 381 Ca 0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1q2r h TYR 381 Cb -0.02 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1q2r h TYR 381 CO -0.05 0.04 0.00 1.19 -1.64 0.00 0.00 178.16 177.70 1q2r n PHE 382 N -5.06 0.00 0.10 -3.82 3.72 -0.56 -2.34 117.46 109.50 1q2r n PHE 382 Ca -0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.34 1q2r n PHE 382 Cb 0.07 -0.43 0.18 0.00 -0.94 0.00 0.00 39.48 38.36 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 2.99 0.99 -6.20 4.37 0.00 -0.56 -3.48 119.26 117.36 1q2r h ALA 383 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 54.91 54.13 1q2r h ALA 383 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1q2r h ALA 383 CO 0.00 0.67 -0.74 0.54 0.00 0.00 0.00 179.25 179.72 1q2r n ARG 384 N -3.93 -1.60 -4.04 0.00 1.74 -1.19 -4.99 116.66 102.66 1q2r n ARG 384 Ca -0.02 1.18 -0.33 0.00 -0.77 0.00 0.00 57.85 57.91 1q2r n ARG 384 Cb 0.56 -3.55 -0.15 0.00 -1.02 0.00 0.00 32.46 28.30 1q2r n ARG 384 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1q2r s ASN 385 N -2.75 4.47 0.00 0.55 4.22 -1.26 -5.08 114.94 115.09 1q2r s ASN 385 Ca 0.07 -1.32 0.00 0.00 -2.14 0.00 0.00 52.86 49.48 1q2r s ASN 385 Cb -0.01 -1.58 0.00 0.00 1.28 0.00 0.00 41.25 40.93 1q2r s ASN 385 CO 0.84 -0.19 0.00 -0.24 -2.04 0.00 0.00 177.10 175.47