#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p7q n LYS 5 N 0.00 0.00 -2.60 -0.52 2.85 -1.24 -4.93 118.16 111.72 1p7q n LYS 5 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1p7q n LYS 5 Cb 0.00 -0.64 0.03 0.00 -0.65 0.00 0.00 35.03 33.77 1p7q n LYS 5 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1p7q n PRO 6 N 0.64 0.82 -3.03 -1.58 -0.04 -1.26 -4.98 135.00 125.56 1p7q n PRO 6 Ca 0.11 -2.16 -0.40 0.00 -0.04 0.00 0.00 63.50 61.01 1p7q n PRO 6 Cb 0.16 -0.01 -0.05 0.00 -0.04 0.00 0.00 33.50 33.56 1p7q n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1p7q s THR 7 N -1.56 5.00 -0.25 0.52 2.01 -1.26 -4.59 115.64 115.51 1p7q s THR 7 Ca 0.33 1.42 -0.04 0.00 0.31 0.00 0.00 61.69 63.71 1p7q s THR 7 Cb -0.03 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.45 1p7q s THR 7 CO 0.21 0.16 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.06 1p7q s LEU 8 N 1.43 3.25 0.00 4.42 2.96 -1.25 -3.29 118.68 126.20 1p7q s LEU 8 Ca 0.35 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1p7q s LEU 8 Cb -0.17 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.77 1p7q s LEU 8 CO 0.14 -0.10 0.00 -2.67 -1.32 0.00 0.00 176.35 172.40 1p7q n TRP 9 N 4.77 0.00 -3.75 5.38 2.14 -1.12 -4.88 117.44 119.98 1p7q n TRP 9 Ca -0.17 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.29 1p7q n TRP 9 Cb 0.49 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.92 1p7q n TRP 9 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1p7q s ALA 10 N -2.00 -0.67 -0.06 -1.67 0.00 -1.26 -2.44 121.76 113.66 1p7q s ALA 10 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 1p7q s ALA 10 Cb 0.00 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1p7q s ALA 10 CO 0.00 -0.42 -0.01 -1.21 0.00 0.00 0.00 175.76 174.11 1p7q s GLU 11 N -2.64 0.68 0.00 0.00 2.02 0.21 -1.44 118.70 117.53 1p7q s GLU 11 Ca -0.04 0.04 0.04 0.00 0.02 0.00 0.00 54.97 55.03 1p7q s GLU 11 Cb -0.01 -0.93 0.23 0.00 0.10 0.00 0.00 34.13 33.53 1p7q s GLU 11 CO -0.04 -0.23 0.79 -2.30 0.02 0.00 0.00 175.26 173.50 1p7q n PRO 12 N 4.79 0.11 0.00 0.39 -0.02 -1.26 -1.80 135.00 137.20 1p7q n PRO 12 Ca -0.13 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1p7q n PRO 12 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1p7q n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p7q n GLY 13 N -0.80 1.10 0.00 -1.23 0.00 -0.52 -5.10 105.19 98.64 1p7q n GLY 13 Ca 0.03 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1p7q n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p7q n SER 14 N 0.00 -0.02 -3.92 1.61 3.41 -1.26 -4.53 113.62 108.91 1p7q n SER 14 Ca 0.00 -0.01 -0.36 0.00 -0.26 0.00 0.00 58.87 58.24 1p7q n SER 14 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1p7q n SER 14 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1p7q n VAL 15 N -0.67 -3.37 -3.95 -3.33 0.31 -1.03 -4.88 118.33 101.40 1p7q n VAL 15 Ca 0.00 -0.39 -0.33 0.00 -0.01 0.00 0.00 64.34 63.61 1p7q n VAL 15 Cb 0.00 -2.80 -0.05 0.00 -0.91 0.00 0.00 33.84 30.08 1p7q n VAL 15 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1p7q s ILE 16 N -3.30 5.26 -0.07 2.52 -1.09 -0.37 -4.90 121.20 119.24 1p7q s ILE 16 Ca 0.29 -0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 58.21 1p7q s ILE 16 Cb -0.15 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 1p7q s ILE 16 CO 0.93 0.35 1.04 0.28 -1.23 0.00 0.00 174.94 176.30 1p7q s THR 17 N -1.28 4.70 0.23 2.92 -1.32 -1.26 -1.32 115.64 118.31 1p7q s THR 17 Ca 0.25 1.97 -0.25 0.00 -1.21 0.00 0.00 61.69 62.45 1p7q s THR 17 Cb -0.12 -4.26 -0.16 0.00 -1.51 0.00 0.00 72.50 66.45 1p7q s THR 17 CO 0.17 0.03 0.40 1.67 -2.21 0.00 0.00 174.62 174.68 1p7q n GLN 18 N 4.81 0.00 0.00 7.08 7.27 0.16 -1.77 117.38 134.93 1p7q n GLN 18 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 1p7q n GLN 18 Cb 0.49 -0.94 0.00 0.00 2.41 0.00 0.00 30.24 32.20 1p7q n GLN 18 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1p7q n GLY 19 N 1.94 3.06 1.27 1.69 0.00 0.29 -4.96 105.19 108.48 1p7q n GLY 19 Ca 0.15 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1p7q n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p7q n SER 20 N 0.53 -0.63 -4.32 1.61 7.64 -0.73 -4.13 113.62 113.59 1p7q n SER 20 Ca 0.00 -0.96 -0.24 0.00 1.01 0.00 0.00 58.87 58.67 1p7q n SER 20 Cb 0.00 -0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 62.73 1p7q n SER 20 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1p7q s PRO 21 N -3.93 1.21 0.08 1.43 0.04 -1.20 0.76 135.00 133.39 1p7q s PRO 21 Ca 0.25 -1.25 -0.08 0.00 0.04 0.00 0.00 61.00 59.96 1p7q s PRO 21 Cb -0.01 -1.48 -0.01 0.00 0.04 0.00 0.00 34.50 33.04 1p7q s PRO 21 CO 0.18 0.34 0.17 0.54 0.04 0.00 0.00 177.00 178.27 1p7q s VAL 22 N -1.33 0.15 -0.02 -0.36 0.11 -1.18 -4.52 120.40 113.24 1p7q s VAL 22 Ca 0.10 -1.20 -0.02 0.00 -2.93 0.00 0.00 61.98 57.93 1p7q s VAL 22 Cb -0.09 -1.28 0.01 0.00 -1.53 0.00 0.00 36.38 33.48 1p7q s VAL 22 CO 0.05 -0.66 0.07 -0.89 -3.33 0.00 0.00 175.10 170.34 1p7q s THR 23 N -3.64 0.01 0.24 5.04 2.01 -0.75 -1.54 115.64 117.01 1p7q s THR 23 Ca 0.03 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.04 1p7q s THR 23 Cb 0.04 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.40 1p7q s THR 23 CO -0.10 -0.03 0.34 -0.76 -0.69 0.00 0.00 174.62 173.39 1p7q s LEU 24 N -0.05 4.26 0.12 4.42 1.43 -0.69 -0.62 118.68 127.55 1p7q s LEU 24 Ca -0.01 0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 1p7q s LEU 24 Cb -0.01 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.41 1p7q s LEU 24 CO 0.00 -0.07 0.26 -0.13 0.23 0.00 0.00 176.35 176.65 1p7q s ARG 25 N -3.96 0.99 0.01 1.70 0.52 -1.02 -2.94 118.95 114.25 1p7q s ARG 25 Ca 0.34 -0.98 -0.14 0.00 -0.52 0.00 0.00 55.73 54.43 1p7q s ARG 25 Cb -0.09 0.38 0.02 0.00 0.52 0.00 0.00 34.95 35.78 1p7q s ARG 25 CO 0.29 -0.35 0.31 0.00 0.02 0.00 0.00 175.30 175.56 1p7q n GLN 27 N 0.93 0.00 0.00 0.00 -0.00 -1.22 -4.86 117.38 112.22 1p7q n GLN 27 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.80 1p7q n GLN 27 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.82 1p7q n GLN 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1p7q n THR 32 N 0.00 0.00 0.01 -0.39 -1.04 -1.26 -4.97 114.28 106.64 1p7q n THR 32 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1p7q n THR 32 Cb 0.00 -0.07 -0.01 0.00 -1.82 0.00 0.00 70.33 68.43 1p7q n THR 32 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p7q n GLN 33 N 0.00 1.65 -2.93 -2.82 0.00 -1.26 -4.91 117.38 107.11 1p7q n GLN 33 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 57.00 56.57 1p7q n GLN 33 Cb 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 30.24 29.28 1p7q n GLN 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1p7q s GLU 34 N -1.83 3.87 -0.06 2.61 4.04 -1.26 -4.37 118.70 121.70 1p7q s GLU 34 Ca -0.00 0.48 -0.01 0.00 0.04 0.00 0.00 54.97 55.48 1p7q s GLU 34 Cb 0.01 -3.77 0.03 0.00 0.02 0.00 0.00 34.13 30.42 1p7q s GLU 34 CO 0.04 -0.78 0.01 0.71 -1.84 0.00 0.00 175.26 173.41 1p7q s TYR 35 N 3.07 0.53 0.07 4.83 4.12 -1.26 -4.52 117.35 124.18 1p7q s TYR 35 Ca 0.33 -0.08 0.06 0.00 0.02 0.00 0.00 57.07 57.40 1p7q s TYR 35 Cb -0.13 -0.70 -0.04 0.00 -1.52 0.00 0.00 41.96 39.57 1p7q s TYR 35 CO 0.15 -0.28 -0.09 1.03 0.02 0.00 0.00 175.55 176.39 1p7q s ARG 36 N 1.85 2.29 -0.03 -0.62 0.52 -0.37 -4.99 118.95 117.59 1p7q s ARG 36 Ca 0.03 -0.91 -0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1p7q s ARG 36 Cb -0.12 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 32.98 1p7q s ARG 36 CO -0.04 0.54 0.08 -1.17 0.02 0.00 0.00 175.30 174.73 1p7q s LEU 37 N -1.92 1.58 -0.07 2.53 2.96 -1.26 -3.10 118.68 119.40 1p7q s LEU 37 Ca 0.20 0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 54.13 1p7q s LEU 37 Cb -0.11 0.25 0.03 0.00 0.50 0.00 0.00 46.19 46.85 1p7q s LEU 37 CO 0.12 -0.04 0.33 -0.72 -1.32 0.00 0.00 176.35 174.71 1p7q s TYR 38 N 0.21 -0.27 -0.33 5.38 -0.85 -1.25 -4.99 117.35 115.25 1p7q s TYR 38 Ca -0.01 0.57 -0.12 0.00 -0.52 0.00 0.00 57.07 56.99 1p7q s TYR 38 Cb -0.02 0.11 -0.01 0.00 0.38 0.00 0.00 41.96 42.42 1p7q s TYR 38 CO -0.01 -0.30 0.21 0.50 -1.52 0.00 0.00 175.55 174.43 1p7q s ARG 39 N -0.65 3.37 1.16 -3.49 3.52 -1.26 -3.20 118.95 118.39 1p7q s ARG 39 Ca -0.07 -0.72 -0.17 0.00 -0.13 0.00 0.00 55.73 54.63 1p7q s ARG 39 Cb -0.04 -3.71 0.20 0.00 -1.56 0.00 0.00 34.95 29.83 1p7q s ARG 39 CO 0.03 -0.46 0.36 0.39 -0.81 0.00 0.00 175.30 174.80 1p7q n GLU 40 N 5.05 -2.49 0.00 5.12 1.02 -1.20 -3.27 120.64 124.88 1p7q n GLU 40 Ca -0.13 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 1p7q n GLU 40 Cb 0.49 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1p7q n GLU 40 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1p7q n LYS 41 N -2.96 0.00 -3.27 3.49 4.76 -1.26 -4.54 118.16 114.39 1p7q n LYS 41 Ca 0.04 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.51 1p7q n LYS 41 Cb 0.53 -2.14 -0.04 0.00 -1.84 0.00 0.00 35.03 31.54 1p7q n LYS 41 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1p7q s LYS 42 N 0.00 0.15 0.67 1.97 2.36 -1.20 -5.15 119.74 118.53 1p7q s LYS 42 Ca 0.00 0.37 -0.16 0.00 -2.55 0.00 0.00 55.97 53.63 1p7q s LYS 42 Cb 0.00 0.22 -0.14 0.00 -1.05 0.00 0.00 37.83 36.86 1p7q s LYS 42 CO 0.00 -0.06 -0.39 -2.37 1.55 0.00 0.00 175.35 174.07 1p7q n THR 43 N 4.81 0.00 -3.95 3.43 5.66 -1.22 -4.61 114.28 118.40 1p7q n THR 43 Ca -0.08 -0.46 -0.32 0.00 -3.05 0.00 0.00 64.05 60.14 1p7q n THR 43 Cb 0.54 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.18 1p7q n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p7q s ALA 44 N -1.84 3.00 0.55 1.79 0.00 -1.26 -4.90 121.76 119.09 1p7q s ALA 44 Ca 0.45 -2.59 0.25 0.00 0.00 0.00 0.00 51.96 50.08 1p7q s ALA 44 Cb -0.33 -2.11 1.46 0.00 0.00 0.00 0.00 23.12 22.14 1p7q s ALA 44 CO 0.68 -1.74 2.04 -1.35 0.00 0.00 0.00 175.76 175.39 1p7q h PRO 45 N 7.66 0.00 -0.65 0.00 0.11 -1.98 -2.61 132.00 134.54 1p7q h PRO 45 Ca -0.07 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.09 1p7q h PRO 45 Cb 1.02 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1p7q h PRO 45 CO 0.58 0.00 0.43 0.11 -0.21 0.00 0.00 178.00 178.91 1p7q h TRP 46 N 0.00 0.70 -0.55 0.65 5.08 -1.99 -2.07 115.95 117.78 1p7q h TRP 46 Ca 0.16 0.02 0.06 0.00 1.08 0.00 0.00 58.89 60.21 1p7q h TRP 46 Cb 0.71 -0.23 -0.05 0.00 -3.00 0.00 0.00 29.16 26.59 1p7q h TRP 46 CO 0.00 0.40 0.25 0.82 -1.28 0.00 0.00 178.44 178.63 1p7q h ILE 47 N 0.72 0.89 0.00 0.12 2.04 -1.86 -1.04 117.51 118.38 1p7q h ILE 47 Ca 0.27 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1p7q h ILE 47 Cb 0.16 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1p7q h ILE 47 CO -0.08 0.09 0.00 0.71 0.00 0.00 0.00 178.15 178.87 1p7q h THR 48 N 0.48 0.00 -0.01 -0.27 1.35 -1.54 -2.08 112.91 110.84 1p7q h THR 48 Ca 0.25 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1p7q h THR 48 Cb 0.22 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1p7q h THR 48 CO -0.21 0.00 -0.19 0.54 -0.25 0.00 0.00 175.52 175.41 1p7q n ARG 49 N -2.98 0.99 -2.30 4.72 1.74 -0.40 -4.90 116.66 113.53 1p7q n ARG 49 Ca -0.02 -0.56 -0.42 0.00 -0.77 0.00 0.00 57.85 56.08 1p7q n ARG 49 Cb 0.11 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 1p7q n ARG 49 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1p7q s ILE 50 N -2.40 3.62 0.39 0.55 -1.09 -0.78 -4.97 121.20 116.52 1p7q s ILE 50 Ca 0.28 1.20 -0.27 0.00 -2.23 0.00 0.00 60.65 59.63 1p7q s ILE 50 Cb 0.20 -3.77 -0.11 0.00 -1.58 0.00 0.00 42.46 37.20 1p7q s ILE 50 CO 0.48 0.11 1.36 -2.65 -1.23 0.00 0.00 174.94 173.01 1p7q n PRO 51 N 3.64 2.26 0.09 2.79 -0.02 -1.26 -4.77 135.00 137.73 1p7q n PRO 51 Ca 0.09 0.80 0.06 0.00 -2.02 0.00 0.00 63.50 62.42 1p7q n PRO 51 Cb 0.44 -2.49 0.31 0.00 -0.02 0.00 0.00 33.50 31.75 1p7q n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1p7q n GLN 52 N 0.28 0.07 0.01 -0.52 0.00 -1.26 -0.22 117.38 115.74 1p7q n GLN 52 Ca 0.04 0.56 0.08 0.00 0.00 0.00 0.00 57.00 57.68 1p7q n GLN 52 Cb 0.39 -1.77 0.34 0.00 0.00 0.00 0.00 30.24 29.19 1p7q n GLN 52 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1p7q n GLU 53 N -1.90 0.01 -0.09 2.61 -0.00 -1.26 -1.84 120.64 118.17 1p7q n GLU 53 Ca -0.01 0.24 -0.19 0.00 -0.00 0.00 0.00 57.16 57.20 1p7q n GLU 53 Cb 0.04 -1.51 -0.07 0.00 -0.00 0.00 0.00 31.44 29.90 1p7q n GLU 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1p7q n LEU 54 N -1.53 1.51 -0.33 -1.84 4.77 0.69 -4.52 117.00 115.74 1p7q n LEU 54 Ca 0.04 0.20 0.23 0.00 -0.03 0.00 0.00 56.01 56.44 1p7q n LEU 54 Cb 0.18 -0.56 0.50 0.00 -2.33 0.00 0.00 43.42 41.21 1p7q n LEU 54 CO 0.15 0.44 1.21 0.58 -1.33 0.00 0.00 177.39 178.44 1p7q h VAL 55 N -0.61 0.50 -0.44 4.08 2.07 -1.46 0.55 116.25 120.94 1p7q h VAL 55 Ca -0.47 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 66.98 1p7q h VAL 55 Cb 1.44 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.19 1p7q h VAL 55 CO -0.27 0.07 -0.49 0.11 0.02 0.00 0.00 177.57 177.01 1p7q h LYS 56 N 0.39 -0.33 0.00 1.57 6.56 -1.56 0.86 116.57 124.06 1p7q h LYS 56 Ca 0.61 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.23 1p7q h LYS 56 Cb 1.54 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 33.28 1p7q h LYS 56 CO -0.32 -0.22 -0.04 0.36 -2.06 0.00 0.00 179.45 177.17 1p7q n LYS 57 N -5.40 0.02 -2.45 3.15 2.85 0.11 -4.51 118.16 111.93 1p7q n LYS 57 Ca -0.02 0.01 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1p7q n LYS 57 Cb 0.35 -1.52 0.01 0.00 -0.65 0.00 0.00 35.03 33.21 1p7q n LYS 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1p7q n GLY 58 N 1.49 0.60 3.29 2.58 0.00 0.15 -4.88 105.19 108.41 1p7q n GLY 58 Ca 0.07 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 1p7q n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p7q s GLN 59 N -4.83 3.28 -0.43 1.61 -0.21 -1.00 -3.56 119.66 114.52 1p7q s GLN 59 Ca 0.05 -0.70 0.04 0.00 0.02 0.00 0.00 55.36 54.77 1p7q s GLN 59 Cb -0.02 -2.76 0.11 0.00 1.00 0.00 0.00 33.01 31.35 1p7q s GLN 59 CO 0.06 -0.05 0.15 -0.06 -2.12 0.00 0.00 175.29 173.28 1p7q s PHE 60 N 1.01 3.51 0.49 0.91 0.40 -1.15 -4.26 117.98 118.89 1p7q s PHE 60 Ca -0.01 -3.05 -0.17 0.00 -0.60 0.00 0.00 56.93 53.10 1p7q s PHE 60 Cb -0.15 -2.91 -0.08 0.00 0.51 0.00 0.00 43.02 40.40 1p7q s PHE 60 CO -0.02 -0.86 0.95 -1.25 0.70 0.00 0.00 175.22 174.74 1p7q s PRO 61 N 0.39 3.98 -0.12 0.24 0.04 -1.26 -1.71 135.00 136.56 1p7q s PRO 61 Ca 0.14 0.93 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 1p7q s PRO 61 Cb -0.22 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.19 1p7q s PRO 61 CO -0.04 -0.20 0.02 0.42 0.04 0.00 0.00 177.00 177.24 1p7q s ILE 62 N -2.51 0.40 0.00 0.56 1.01 -0.59 -4.99 121.20 115.08 1p7q s ILE 62 Ca 0.59 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1p7q s ILE 62 Cb -0.10 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.66 1p7q s ILE 62 CO 0.28 0.06 0.00 -2.65 0.00 0.00 0.00 174.94 172.63 1p7q n PRO 63 N 5.12 0.00 -3.13 2.79 -0.02 -1.26 -3.07 135.00 135.43 1p7q n PRO 63 Ca -0.08 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.95 1p7q n PRO 63 Cb 0.49 -0.09 -0.03 0.00 -0.02 0.00 0.00 33.50 33.84 1p7q n PRO 63 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1p7q s SER 64 N -1.65 6.46 0.24 2.55 0.15 -1.26 -3.22 113.70 116.98 1p7q s SER 64 Ca 0.00 -1.95 -0.31 0.00 0.70 0.00 0.00 55.95 54.39 1p7q s SER 64 Cb 0.00 -2.30 -0.14 0.00 -1.71 0.00 0.00 66.02 61.87 1p7q s SER 64 CO 0.00 -0.95 1.33 0.00 1.20 0.00 0.00 173.24 174.83 1p7q n ILE 65 N 5.09 1.07 -4.10 6.45 3.06 0.23 -4.60 119.36 126.54 1p7q n ILE 65 Ca 0.05 -0.27 -0.10 0.00 -2.50 0.00 0.00 62.75 59.94 1p7q n ILE 65 Cb 0.45 -1.34 -0.10 0.00 0.54 0.00 0.00 39.64 39.19 1p7q n ILE 65 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1p7q s THR 66 N -0.21 0.46 0.48 9.51 -4.23 -1.26 -0.55 115.64 119.84 1p7q s THR 66 Ca 0.68 -1.62 0.37 0.00 -1.18 0.00 0.00 61.69 59.94 1p7q s THR 66 Cb -0.68 -1.27 0.58 0.00 1.34 0.00 0.00 72.50 72.46 1p7q s THR 66 CO 0.52 -0.78 1.61 4.11 -0.54 0.00 0.00 174.62 179.54 1p7q h TRP 67 N 3.50 0.32 -0.72 3.99 5.08 -1.95 -0.07 115.95 126.10 1p7q h TRP 67 Ca -0.35 0.01 0.13 0.00 1.08 0.00 0.00 58.89 59.77 1p7q h TRP 67 Cb 1.17 -0.08 -0.13 0.00 -3.00 0.00 0.00 29.16 27.12 1p7q h TRP 67 CO 0.59 -0.14 -0.28 0.93 -1.28 0.00 0.00 178.44 178.25 1p7q h GLU 68 N 0.04 -0.07 0.37 0.12 5.08 -1.98 -1.44 114.58 116.71 1p7q h GLU 68 Ca 0.86 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.21 1p7q h GLU 68 Cb 2.99 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 32.24 1p7q h GLU 68 CO -0.27 -0.05 -0.42 0.45 -1.00 0.00 0.00 179.01 177.72 1p7q h HIS 69 N -0.07 -1.16 0.00 4.33 3.86 -1.42 -3.45 115.15 117.24 1p7q h HIS 69 Ca 0.31 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 1p7q h HIS 69 Cb 0.56 0.46 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1p7q h HIS 69 CO -0.66 -0.54 0.00 0.00 0.86 0.00 0.00 177.93 177.59 1p7q n ALA 70 N -2.73 0.00 0.00 2.45 0.00 -0.54 -4.83 120.51 114.86 1p7q n ALA 70 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1p7q n ALA 70 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1p7q n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p7q n GLY 71 N 0.00 -0.55 3.80 0.00 0.00 -0.79 -4.85 105.19 102.80 1p7q n GLY 71 Ca 0.00 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 1p7q n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p7q s ARG 72 N -2.00 4.36 -0.00 1.61 3.52 -1.26 -1.48 118.95 123.69 1p7q s ARG 72 Ca 0.00 1.01 -0.02 0.00 -0.13 0.00 0.00 55.73 56.60 1p7q s ARG 72 Cb 0.00 -2.86 -0.00 0.00 -1.56 0.00 0.00 34.95 30.53 1p7q s ARG 72 CO 0.00 0.36 0.03 0.71 -0.81 0.00 0.00 175.30 175.59 1p7q s TYR 73 N -1.55 0.07 0.27 5.12 1.51 -0.16 -3.21 117.35 119.40 1p7q s TYR 73 Ca 0.45 -0.13 0.04 0.00 -1.01 0.00 0.00 57.07 56.42 1p7q s TYR 73 Cb -0.17 -0.06 -0.06 0.00 -0.11 0.00 0.00 41.96 41.56 1p7q s TYR 73 CO 0.22 -0.11 0.03 1.03 -1.11 0.00 0.00 175.55 175.61 1p7q s ARG 74 N -0.62 1.47 -0.00 -0.62 0.52 -1.19 0.01 118.95 118.51 1p7q s ARG 74 Ca -0.07 -1.78 0.01 0.00 -0.52 0.00 0.00 55.73 53.37 1p7q s ARG 74 Cb -0.04 -0.70 -0.00 0.00 0.52 0.00 0.00 34.95 34.73 1p7q s ARG 74 CO -0.00 -0.15 -0.03 0.00 0.02 0.00 0.00 175.30 175.14 1p7q n TYR 76 N 3.09 -0.99 -3.52 0.00 0.18 -1.18 0.28 117.16 115.02 1p7q n TYR 76 Ca -0.14 -0.44 -0.00 0.00 1.88 0.00 0.00 57.90 59.20 1p7q n TYR 76 Cb 0.58 0.22 0.00 0.00 -0.38 0.00 0.00 39.34 39.76 1p7q n TYR 76 CO 0.00 0.00 0.00 2.48 -2.08 0.00 0.00 176.86 177.26 1p7q n TYR 77 N -0.21 -0.58 -3.37 -3.48 0.18 -1.26 -1.24 117.16 107.21 1p7q n TYR 77 Ca -0.01 -0.10 -0.30 0.00 1.88 0.00 0.00 57.90 59.37 1p7q n TYR 77 Cb 0.18 0.05 -0.04 0.00 -0.38 0.00 0.00 39.34 39.15 1p7q n TYR 77 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1p7q s ARG 84 N -2.00 3.69 0.00 -3.48 3.00 -1.26 -4.98 118.95 113.92 1p7q s ARG 84 Ca 0.02 0.10 0.00 0.00 -1.00 0.00 0.00 55.73 54.85 1p7q s ARG 84 Cb -0.00 -2.65 0.00 0.00 0.00 0.00 0.00 34.95 32.30 1p7q s ARG 84 CO 0.00 0.26 0.00 -1.13 0.00 0.00 0.00 175.30 174.43 1p7q n SER 85 N -0.61 0.00 -4.43 -2.12 3.41 -1.26 -4.81 113.62 103.80 1p7q n SER 85 Ca -0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.29 1p7q n SER 85 Cb 0.53 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 1p7q n SER 85 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1p7q s GLU 86 N 2.06 2.03 0.19 4.33 -1.05 -1.26 -4.91 118.70 120.09 1p7q s GLU 86 Ca 0.00 -1.00 -0.32 0.00 -0.15 0.00 0.00 54.97 53.51 1p7q s GLU 86 Cb 0.00 -2.15 -0.11 0.00 -0.44 0.00 0.00 34.13 31.43 1p7q s GLU 86 CO 0.00 0.54 1.63 0.45 0.95 0.00 0.00 175.26 178.83 1p7q s SER 87 N -1.37 6.49 0.93 0.83 0.15 -1.26 -3.69 113.70 115.79 1p7q s SER 87 Ca 0.14 2.73 -0.12 0.00 0.70 0.00 0.00 55.95 59.40 1p7q s SER 87 Cb -0.10 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.76 1p7q s SER 87 CO 0.04 -0.89 1.09 -0.94 1.20 0.00 0.00 173.24 173.75 1p7q s SER 88 N 1.15 3.15 0.53 5.45 1.04 0.14 -4.92 113.70 120.25 1p7q s SER 88 Ca 0.72 1.45 -0.22 0.00 0.48 0.00 0.00 55.95 58.38 1p7q s SER 88 Cb -0.46 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 1p7q s SER 88 CO 0.32 -2.84 1.36 -1.81 0.98 0.00 0.00 173.24 171.25 1p7q s ASP 89 N -3.36 5.38 0.61 7.02 1.01 -1.26 -4.48 116.67 121.59 1p7q s ASP 89 Ca 0.64 2.76 -0.19 0.00 0.71 0.00 0.00 52.55 56.47 1p7q s ASP 89 Cb -0.19 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.08 1p7q s ASP 89 CO 0.57 -1.50 1.32 -2.16 0.21 0.00 0.00 175.17 173.62 1p7q s PRO 90 N -2.84 2.74 -0.24 8.23 0.04 -1.26 -4.73 135.00 136.93 1p7q s PRO 90 Ca 0.70 2.14 0.02 0.00 0.04 0.00 0.00 61.00 63.90 1p7q s PRO 90 Cb -0.40 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.20 1p7q s PRO 90 CO 0.48 -1.48 -0.10 -1.17 0.04 0.00 0.00 177.00 174.78 1p7q s LEU 91 N -4.08 3.00 -0.61 -3.56 2.96 0.10 -4.95 118.68 111.54 1p7q s LEU 91 Ca 0.79 -1.23 -0.26 0.00 -0.22 0.00 0.00 54.13 53.20 1p7q s LEU 91 Cb -0.39 -1.41 0.04 0.00 0.50 0.00 0.00 46.19 44.93 1p7q s LEU 91 CO 0.43 -0.18 1.11 -1.61 -1.32 0.00 0.00 176.35 174.78 1p7q s GLU 92 N 1.22 3.37 -0.36 1.98 0.41 -1.26 -0.99 118.70 123.07 1p7q s GLU 92 Ca -0.06 -0.08 -0.20 0.00 -0.41 0.00 0.00 54.97 54.21 1p7q s GLU 92 Cb -0.19 -4.07 0.00 0.00 -1.78 0.00 0.00 34.13 28.09 1p7q s GLU 92 CO -0.06 -1.71 0.64 -1.17 -0.49 0.00 0.00 175.26 172.46 1p7q s LEU 93 N 4.71 4.27 -0.21 1.80 2.96 -0.55 -4.64 118.68 127.02 1p7q s LEU 93 Ca 0.36 0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 54.34 1p7q s LEU 93 Cb -0.10 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 1p7q s LEU 93 CO 0.20 -0.60 -0.00 -0.69 -1.32 0.00 0.00 176.35 173.94 1p7q s VAL 94 N 2.71 3.86 -0.09 1.68 1.01 -1.26 -1.89 120.40 126.42 1p7q s VAL 94 Ca 0.24 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1p7q s VAL 94 Cb -0.14 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1p7q s VAL 94 CO 0.15 0.42 0.29 -0.69 0.00 0.00 0.00 175.10 175.26 1p7q s VAL 95 N 1.18 5.27 0.37 2.92 1.01 0.45 -1.24 120.40 130.36 1p7q s VAL 95 Ca 0.03 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1p7q s VAL 95 Cb -0.14 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1p7q s VAL 95 CO 0.01 0.53 0.06 0.42 0.00 0.00 0.00 175.10 176.12 1p7q s THR 96 N -0.52 1.13 -1.04 3.92 -4.23 -0.43 -1.34 115.64 113.13 1p7q s THR 96 Ca 0.18 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 1p7q s THR 96 Cb -0.14 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1p7q s THR 96 CO 0.07 0.00 0.52 0.61 -0.54 0.00 0.00 174.62 175.29 1p7q n GLY 97 N -0.81 -0.13 0.09 3.99 0.00 -0.77 0.41 105.19 107.96 1p7q n GLY 97 Ca -0.05 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1p7q n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p7q n ALA 98 N -3.32 0.73 -2.11 4.61 0.00 -0.93 -4.60 120.51 114.88 1p7q n ALA 98 Ca -0.06 -0.63 -0.24 0.00 0.00 0.00 0.00 53.44 52.51 1p7q n ALA 98 Cb 0.57 -0.07 0.03 0.00 0.00 0.00 0.00 19.45 19.98 1p7q n ALA 98 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1p7q s TYR 99 N -2.48 3.10 0.64 0.00 1.51 -1.25 -4.89 117.35 113.98 1p7q s TYR 99 Ca -0.24 0.33 -0.18 0.00 -1.01 0.00 0.00 57.07 55.96 1p7q s TYR 99 Cb 0.05 -2.68 -0.02 0.00 -0.11 0.00 0.00 41.96 39.20 1p7q s TYR 99 CO 0.38 -0.78 1.15 -0.89 -1.11 0.00 0.00 175.55 174.31 1p7q n ILE 100 N -2.42 4.40 -2.47 2.71 5.41 -1.26 -1.44 119.36 124.30 1p7q n ILE 100 Ca 0.05 -0.49 -0.39 0.00 1.00 0.00 0.00 62.75 62.91 1p7q n ILE 100 Cb 0.59 -1.34 -0.04 0.00 -0.71 0.00 0.00 39.64 38.14 1p7q n ILE 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1p7q s LYS 101 N -3.17 4.50 0.74 0.38 -2.85 -1.26 -4.12 119.74 113.97 1p7q s LYS 101 Ca 0.80 1.76 -0.06 0.00 -1.00 0.00 0.00 55.97 57.46 1p7q s LYS 101 Cb -0.39 -3.03 0.10 0.00 -2.06 0.00 0.00 37.83 32.46 1p7q s LYS 101 CO 0.43 0.10 1.05 -1.25 0.10 0.00 0.00 175.35 175.78 1p7q s PRO 102 N -1.72 1.81 -0.11 1.78 0.04 -1.26 -4.85 135.00 130.70 1p7q s PRO 102 Ca 0.48 -0.52 -0.01 0.00 0.04 0.00 0.00 61.00 60.99 1p7q s PRO 102 Cb -0.30 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 1p7q s PRO 102 CO 0.38 -1.47 -0.07 0.99 0.04 0.00 0.00 177.00 176.88 1p7q s THR 103 N -3.31 3.69 -0.22 1.26 2.01 -0.29 -4.45 115.64 114.34 1p7q s THR 103 Ca 0.64 -0.46 -0.10 0.00 0.31 0.00 0.00 61.69 62.08 1p7q s THR 103 Cb -0.08 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 1p7q s THR 103 CO 0.46 0.55 0.13 -0.22 -0.69 0.00 0.00 174.62 174.85 1p7q s LEU 104 N -0.26 4.09 0.14 4.42 2.96 -1.26 -1.37 118.68 127.40 1p7q s LEU 104 Ca 0.04 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 1p7q s LEU 104 Cb -0.13 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1p7q s LEU 104 CO 0.02 0.12 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.11 1p7q s SER 105 N 0.70 2.01 -0.38 3.68 1.04 -1.13 -4.96 113.70 114.66 1p7q s SER 105 Ca 0.07 -0.90 -0.02 0.00 0.48 0.00 0.00 55.95 55.57 1p7q s SER 105 Cb -0.12 -0.06 0.09 0.00 0.10 0.00 0.00 66.02 66.03 1p7q s SER 105 CO 0.01 -0.21 0.15 0.00 0.98 0.00 0.00 173.24 174.17 1p7q s ALA 106 N -2.63 3.07 -0.18 5.32 0.00 -1.26 -1.03 121.76 125.04 1p7q s ALA 106 Ca 0.13 -2.36 -0.23 0.00 0.00 0.00 0.00 51.96 49.51 1p7q s ALA 106 Cb -0.02 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 1p7q s ALA 106 CO 0.03 -1.67 0.71 -0.65 0.00 0.00 0.00 175.76 174.17 1p7q s GLN 107 N 1.15 4.25 0.00 0.00 -1.52 0.99 -2.15 119.66 122.39 1p7q s GLN 107 Ca 0.05 0.78 0.15 0.00 -1.95 0.00 0.00 55.36 54.39 1p7q s GLN 107 Cb -0.22 -3.57 -0.06 0.00 -0.22 0.00 0.00 33.01 28.94 1p7q s GLN 107 CO -0.04 -0.26 0.74 -0.35 -0.25 0.00 0.00 175.29 175.14 1p7q n PRO 108 N 5.06 1.94 -3.99 2.91 -0.04 -1.26 -3.27 135.00 136.34 1p7q n PRO 108 Ca 0.01 -0.49 -0.17 0.00 -0.04 0.00 0.00 63.50 62.81 1p7q n PRO 108 Cb 0.49 -1.22 -0.16 0.00 -0.04 0.00 0.00 33.50 32.58 1p7q n PRO 108 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1p7q s SER 109 N -2.01 0.47 0.00 3.54 1.04 -0.91 -4.96 113.70 110.86 1p7q s SER 109 Ca 0.10 -0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.58 1p7q s SER 109 Cb 0.12 -0.21 0.46 0.00 0.10 0.00 0.00 66.02 66.49 1p7q s SER 109 CO 0.46 -0.07 1.27 -2.65 0.98 0.00 0.00 173.24 173.23 1p7q n PRO 110 N 3.89 0.07 -3.63 4.02 -0.02 -1.25 -4.34 135.00 133.73 1p7q n PRO 110 Ca -0.24 0.27 -0.40 0.00 -2.02 0.00 0.00 63.50 61.11 1p7q n PRO 110 Cb 0.52 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.39 1p7q n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1p7q s VAL 111 N -2.81 4.43 0.12 -1.45 1.01 -1.26 -1.61 120.40 118.83 1p7q s VAL 111 Ca 0.07 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1p7q s VAL 111 Cb 0.07 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1p7q s VAL 111 CO 0.17 -0.20 -0.23 0.68 0.00 0.00 0.00 175.10 175.52 1p7q s VAL 112 N 1.53 1.96 0.43 2.92 -7.23 -0.88 -4.99 120.40 114.14 1p7q s VAL 112 Ca 0.02 -1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 58.29 1p7q s VAL 112 Cb -0.19 -1.77 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 1p7q s VAL 112 CO 0.06 -0.02 1.06 0.20 -0.31 0.00 0.00 175.10 176.09 1p7q s ASN 113 N -2.05 6.55 -0.41 4.85 0.01 -1.26 -2.80 114.94 119.83 1p7q s ASN 113 Ca 0.11 2.04 -0.40 0.00 -0.71 0.00 0.00 52.86 53.90 1p7q s ASN 113 Cb -0.10 -2.58 -0.15 0.00 0.41 0.00 0.00 41.25 38.83 1p7q s ASN 113 CO 0.05 -0.64 2.11 -0.24 -1.51 0.00 0.00 177.10 176.87 1p7q n SER 114 N -0.40 1.53 -0.80 -1.22 2.88 -0.35 -3.61 113.62 111.66 1p7q n SER 114 Ca 0.07 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1p7q n SER 114 Cb 0.50 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1p7q n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p7q n GLY 115 N 6.66 -1.59 3.65 0.46 0.00 -0.85 -4.92 105.19 108.60 1p7q n GLY 115 Ca 0.45 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1p7q n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p7q s GLY 116 N 0.00 0.37 0.45 -0.02 0.00 -1.24 -4.84 107.32 102.05 1p7q s GLY 116 Ca 0.00 3.52 -0.21 0.00 0.00 0.00 0.00 44.72 48.03 1p7q s GLY 116 CO 0.00 1.82 1.01 -1.31 0.00 0.00 0.00 173.10 174.61 1p7q s ASN 117 N -0.17 6.61 0.00 1.64 0.01 -1.26 -2.46 114.94 119.31 1p7q s ASN 117 Ca 0.08 1.85 0.00 0.00 -0.71 0.00 0.00 52.86 54.09 1p7q s ASN 117 Cb -0.04 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1p7q s ASN 117 CO -0.16 -0.59 0.00 0.55 -1.51 0.00 0.00 177.10 175.39 1p7q n VAL 118 N -0.73 0.00 -3.54 1.60 3.14 -0.48 -4.91 118.33 113.41 1p7q n VAL 118 Ca 0.08 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.35 1p7q n VAL 118 Cb 0.53 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.20 1p7q n VAL 118 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1p7q s THR 119 N -1.10 -0.55 0.15 1.55 2.01 -1.20 0.15 115.64 116.65 1p7q s THR 119 Ca 0.00 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1p7q s THR 119 Cb 0.00 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1p7q s THR 119 CO 0.00 -0.01 0.26 -0.76 -0.69 0.00 0.00 174.62 173.41 1p7q s LEU 120 N 2.51 4.23 -0.32 4.42 2.01 0.89 -0.00 118.68 132.43 1p7q s LEU 120 Ca 0.05 0.11 -0.01 0.00 0.01 0.00 0.00 54.13 54.29 1p7q s LEU 120 Cb -0.14 -2.81 0.12 0.00 0.01 0.00 0.00 46.19 43.38 1p7q s LEU 120 CO -0.13 0.05 0.21 -1.58 1.01 0.00 0.00 176.35 175.91 1p7q s GLN 121 N -3.22 0.38 -0.56 1.70 0.74 -0.20 -1.50 119.66 117.00 1p7q s GLN 121 Ca 0.34 -0.78 -0.28 0.00 0.05 0.00 0.00 55.36 54.68 1p7q s GLN 121 Cb -0.11 -1.09 0.02 0.00 1.10 0.00 0.00 33.01 32.94 1p7q s GLN 121 CO 0.27 -1.11 1.27 0.00 -0.55 0.00 0.00 175.29 175.18 1p7q s ASP 123 N 3.42 6.42 0.04 0.00 2.15 -0.47 -0.87 116.67 127.36 1p7q s ASP 123 Ca 0.47 0.41 0.02 0.00 0.43 0.00 0.00 52.55 53.88 1p7q s ASP 123 Cb -0.09 -2.02 -0.02 0.00 -0.30 0.00 0.00 42.92 40.49 1p7q s ASP 123 CO 0.26 0.11 -0.07 -0.55 -0.17 0.00 0.00 175.17 174.76 1p7q s SER 124 N -2.50 0.74 0.00 -0.34 0.15 -1.03 -1.14 113.70 109.59 1p7q s SER 124 Ca 0.38 -0.57 0.20 0.00 0.70 0.00 0.00 55.95 56.66 1p7q s SER 124 Cb -0.13 0.05 -0.21 0.00 -1.71 0.00 0.00 66.02 64.02 1p7q s SER 124 CO 0.27 -0.24 0.59 0.00 1.20 0.00 0.00 173.24 175.05 1p7q n GLN 125 N 1.39 0.65 -3.17 5.44 10.64 -1.26 -4.78 117.38 126.29 1p7q n GLN 125 Ca -0.22 -0.01 -0.33 0.00 -1.83 0.00 0.00 57.00 54.61 1p7q n GLN 125 Cb 0.55 -1.64 -0.06 0.00 -0.86 0.00 0.00 30.24 28.23 1p7q n GLN 125 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1p7q s VAL 126 N -3.17 4.70 -0.34 -0.39 1.01 -1.26 -4.99 120.40 115.97 1p7q s VAL 126 Ca -0.06 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 1p7q s VAL 126 Cb 0.10 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1p7q s VAL 126 CO 0.85 -0.12 1.38 0.00 0.00 0.00 0.00 175.10 177.21 1p7q s ALA 127 N -1.90 3.22 0.12 5.51 0.00 -1.26 -4.89 121.76 122.55 1p7q s ALA 127 Ca 0.52 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 1p7q s ALA 127 Cb -0.11 -3.85 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 1p7q s ALA 127 CO 0.18 -2.05 0.10 -0.06 0.00 0.00 0.00 175.76 173.93 1p7q s PHE 128 N 4.90 0.63 -0.07 0.00 0.40 -1.26 -5.02 117.98 117.56 1p7q s PHE 128 Ca 0.60 -1.04 0.10 0.00 -0.60 0.00 0.00 56.93 55.99 1p7q s PHE 128 Cb -0.16 -0.34 0.15 0.00 0.51 0.00 0.00 43.02 43.19 1p7q s PHE 128 CO 0.28 -0.54 1.04 -0.40 0.70 0.00 0.00 175.22 176.30 1p7q n ASP 129 N -0.08 1.61 -3.65 1.36 5.75 -1.22 -4.63 116.55 115.70 1p7q n ASP 129 Ca -0.08 -2.51 -0.13 0.00 -0.01 0.00 0.00 54.79 52.05 1p7q n ASP 129 Cb 0.63 -0.27 -0.08 0.00 -1.03 0.00 0.00 41.12 40.37 1p7q n ASP 129 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1p7q s GLY 130 N -1.93 -0.51 0.10 6.12 0.00 -0.99 -4.52 107.32 105.58 1p7q s GLY 130 Ca 0.17 1.92 0.04 0.00 0.00 0.00 0.00 44.72 46.85 1p7q s GLY 130 CO 0.02 1.69 -0.11 -1.36 0.00 0.00 0.00 173.10 173.34 1p7q s PHE 131 N 0.47 1.10 0.12 1.90 0.40 0.12 -1.64 117.98 120.46 1p7q s PHE 131 Ca -0.01 -0.64 0.07 0.00 -0.60 0.00 0.00 56.93 55.75 1p7q s PHE 131 Cb -0.05 -0.60 -0.04 0.00 0.51 0.00 0.00 43.02 42.85 1p7q s PHE 131 CO -0.01 0.02 -0.16 0.42 0.70 0.00 0.00 175.22 176.19 1p7q s ILE 132 N -2.39 1.44 -0.08 0.64 -1.09 -0.69 0.33 121.20 119.36 1p7q s ILE 132 Ca 0.06 -1.70 -0.03 0.00 -2.23 0.00 0.00 60.65 56.75 1p7q s ILE 132 Cb -0.03 -1.55 0.04 0.00 -1.58 0.00 0.00 42.46 39.33 1p7q s ILE 132 CO 0.00 -0.34 0.06 -0.22 -1.23 0.00 0.00 174.94 173.21 1p7q s LEU 133 N -2.37 0.23 -0.13 2.97 2.96 -0.25 -1.14 118.68 120.94 1p7q s LEU 133 Ca 0.09 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1p7q s LEU 133 Cb -0.06 -0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.46 1p7q s LEU 133 CO 0.04 -0.27 -0.14 0.00 -1.32 0.00 0.00 176.35 174.65 1p7q s LYS 135 N 1.30 3.42 0.24 0.00 1.02 0.24 -3.13 119.74 122.83 1p7q s LYS 135 Ca 0.00 1.72 -0.01 0.00 0.02 0.00 0.00 55.97 57.70 1p7q s LYS 135 Cb -0.14 -4.21 0.27 0.00 -0.52 0.00 0.00 37.83 33.23 1p7q s LYS 135 CO -0.07 -1.76 1.63 0.93 -0.92 0.00 0.00 175.35 175.17 1p7q h GLU 136 N 12.90 0.57 -6.15 1.68 4.39 -1.69 -3.24 114.58 123.04 1p7q h GLU 136 Ca -0.37 -0.26 -0.59 0.00 0.34 0.00 0.00 59.36 58.49 1p7q h GLU 136 Cb 1.19 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1p7q h GLU 136 CO 1.00 0.83 1.33 0.41 -1.16 0.00 0.00 179.01 181.42 1p7q n GLY 137 N -0.15 1.30 2.81 -3.84 0.00 -1.25 -4.70 105.19 99.36 1p7q n GLY 137 Ca -0.01 0.83 -0.39 0.00 0.00 0.00 0.00 46.02 46.45 1p7q n GLY 137 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1p7q n GLU 138 N 7.93 0.00 -0.77 1.61 4.07 -1.26 -4.92 120.64 127.30 1p7q n GLU 138 Ca 0.27 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 57.04 1p7q n GLU 138 Cb 0.38 -0.83 0.13 0.00 -0.06 0.00 0.00 31.44 31.06 1p7q n GLU 138 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1p7q n HIS 141 N -0.21 -1.59 -1.64 4.31 -0.00 -1.26 -4.99 115.22 109.84 1p7q n HIS 141 Ca 0.14 0.20 -0.44 0.00 0.46 0.00 0.00 57.72 58.07 1p7q n HIS 141 Cb 0.24 -1.70 -0.01 0.00 -0.12 0.00 0.00 29.99 28.40 1p7q n HIS 141 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1p7q n PRO 142 N -1.62 1.71 -4.36 1.57 -0.02 -1.26 -4.99 135.00 126.02 1p7q n PRO 142 Ca 0.04 0.60 -0.28 0.00 -2.02 0.00 0.00 63.50 61.85 1p7q n PRO 142 Cb 0.57 -2.08 -0.17 0.00 -0.02 0.00 0.00 33.50 31.80 1p7q n PRO 142 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1p7q s GLN 143 N -1.54 2.03 0.00 -0.52 -0.21 -1.22 -4.95 119.66 113.25 1p7q s GLN 143 Ca 0.59 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 55.48 1p7q s GLN 143 Cb -0.65 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 31.58 1p7q s GLN 143 CO 0.60 -0.09 0.00 0.00 -2.12 0.00 0.00 175.29 173.67 1p7q n LEU 145 N 0.00 0.00 -4.91 0.00 7.94 -0.43 -4.89 117.00 114.72 1p7q n LEU 145 Ca 0.00 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.63 1p7q n LEU 145 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 1p7q n LEU 145 CO 0.00 0.00 0.23 0.21 -1.11 0.00 0.00 177.39 176.72 1p7q s ASN 146 N 0.00 6.39 0.15 1.96 3.84 -1.26 -1.09 114.94 124.92 1p7q s ASN 146 Ca 0.00 0.70 -0.19 0.00 0.21 0.00 0.00 52.86 53.57 1p7q s ASN 146 Cb 0.00 -2.14 0.05 0.00 -0.55 0.00 0.00 41.25 38.61 1p7q s ASN 146 CO 0.00 -0.27 0.50 -0.55 -2.79 0.00 0.00 177.10 173.99 1p7q s SER 147 N -3.47 -0.39 0.32 -4.21 0.15 0.15 -4.96 113.70 101.29 1p7q s SER 147 Ca 0.44 -0.18 0.10 0.00 0.70 0.00 0.00 55.95 57.00 1p7q s SER 147 Cb -0.10 0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 64.69 1p7q s SER 147 CO 0.33 -0.92 -0.06 -1.10 1.20 0.00 0.00 173.24 172.69 1p7q s GLN 148 N -3.78 1.95 -0.13 5.44 -0.21 -1.26 -0.70 119.66 120.96 1p7q s GLN 148 Ca 0.02 -1.77 -0.27 0.00 0.02 0.00 0.00 55.36 53.36 1p7q s GLN 148 Cb 0.00 -1.86 -0.01 0.00 1.00 0.00 0.00 33.01 32.14 1p7q s GLN 148 CO -0.12 0.20 0.91 -2.14 -2.12 0.00 0.00 175.29 172.02 1p7q s PRO 149 N -3.64 4.36 0.26 2.91 0.02 -1.26 -4.34 135.00 133.31 1p7q s PRO 149 Ca 0.33 1.20 0.13 0.00 0.02 0.00 0.00 61.00 62.68 1p7q s PRO 149 Cb -0.01 -3.55 0.19 0.00 0.02 0.00 0.00 34.50 31.15 1p7q s PRO 149 CO 0.18 -0.31 1.50 1.12 -0.33 0.00 0.00 177.00 179.16 1p7q h HIS 150 N 7.19 0.00 -2.87 6.54 2.07 -1.89 -3.45 115.15 122.74 1p7q h HIS 150 Ca -0.30 0.00 -0.46 0.00 -2.85 0.00 0.00 60.37 56.76 1p7q h HIS 150 Cb 1.14 0.00 0.10 0.00 2.57 0.00 0.00 27.41 31.22 1p7q h HIS 150 CO 0.71 0.61 0.18 0.00 -3.07 0.00 0.00 177.93 176.37 1p7q s ALA 151 N -3.14 3.31 -0.15 6.11 0.00 -1.26 -5.05 121.76 121.58 1p7q s ALA 151 Ca 0.02 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 1p7q s ALA 151 Cb 0.10 -2.28 -0.09 0.00 0.00 0.00 0.00 23.12 20.85 1p7q s ALA 151 CO 0.75 -1.58 -0.15 0.54 0.00 0.00 0.00 175.76 175.32 1p7q n ARG 152 N -3.01 0.35 0.23 0.00 1.74 -1.26 -4.46 116.66 110.25 1p7q n ARG 152 Ca 0.13 0.10 0.14 0.00 -0.77 0.00 0.00 57.85 57.45 1p7q n ARG 152 Cb 0.60 -1.22 0.34 0.00 -1.02 0.00 0.00 32.46 31.17 1p7q n ARG 152 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1p7q h GLY 153 N 0.64 0.00 -3.61 -0.13 0.00 -1.99 -3.45 103.07 94.53 1p7q h GLY 153 Ca -0.34 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.47 1p7q h GLY 153 CO -0.10 0.00 0.01 -1.35 0.00 0.00 0.00 176.54 175.10 1p7q s SER 154 N -5.91 6.86 -0.56 0.19 1.04 -1.26 -5.02 113.70 109.04 1p7q s SER 154 Ca 0.05 1.21 0.06 0.00 0.48 0.00 0.00 55.95 57.75 1p7q s SER 154 Cb 0.07 -2.34 0.34 0.00 0.10 0.00 0.00 66.02 64.18 1p7q s SER 154 CO 0.62 -0.02 0.91 -1.54 0.98 0.00 0.00 173.24 174.20 1p7q n SER 155 N 0.37 4.03 -3.90 7.02 3.41 -1.26 -4.64 113.62 118.64 1p7q n SER 155 Ca -0.01 -3.60 -0.29 0.00 -0.26 0.00 0.00 58.87 54.71 1p7q n SER 155 Cb 0.52 -0.57 -0.16 0.00 -0.26 0.00 0.00 64.21 63.73 1p7q n SER 155 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1p7q s ARG 156 N -3.29 1.47 0.17 4.33 3.52 -1.26 -2.46 118.95 121.42 1p7q s ARG 156 Ca 0.47 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 55.42 1p7q s ARG 156 Cb 0.28 -2.21 -0.04 0.00 -1.56 0.00 0.00 34.95 31.42 1p7q s ARG 156 CO -0.13 -0.50 0.33 0.00 -0.81 0.00 0.00 175.30 174.20 1p7q s ALA 157 N 1.57 3.91 0.07 6.12 0.00 -0.05 -4.13 121.76 129.24 1p7q s ALA 157 Ca -0.01 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.09 1p7q s ALA 157 Cb -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1p7q s ALA 157 CO -0.07 0.50 -0.22 0.42 0.00 0.00 0.00 175.76 176.38 1p7q s ILE 158 N -1.79 1.83 -0.04 0.00 -1.09 -1.26 -1.72 121.20 117.13 1p7q s ILE 158 Ca 0.36 -1.38 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 1p7q s ILE 158 Cb -0.11 -1.61 0.03 0.00 -1.58 0.00 0.00 42.46 39.19 1p7q s ILE 158 CO 0.29 0.16 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.79 1p7q s PHE 159 N -0.92 0.44 0.25 3.97 0.40 -0.56 -4.89 117.98 116.68 1p7q s PHE 159 Ca 0.09 -0.06 -0.17 0.00 -0.60 0.00 0.00 56.93 56.19 1p7q s PHE 159 Cb -0.09 -0.51 -0.08 0.00 0.51 0.00 0.00 43.02 42.84 1p7q s PHE 159 CO 0.03 -0.16 0.70 0.45 0.70 0.00 0.00 175.22 176.94 1p7q s SER 160 N 1.12 6.92 -0.00 1.36 0.15 -1.26 -0.08 113.70 121.92 1p7q s SER 160 Ca -0.08 1.32 -0.02 0.00 0.70 0.00 0.00 55.95 57.87 1p7q s SER 160 Cb -0.14 -2.38 -0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1p7q s SER 160 CO -0.02 -0.04 0.03 -0.69 1.20 0.00 0.00 173.24 173.73 1p7q s VAL 161 N -1.68 0.04 0.00 4.45 1.01 0.40 -4.90 120.40 119.73 1p7q s VAL 161 Ca 0.46 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1p7q s VAL 161 Cb -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1p7q s VAL 161 CO 0.20 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1p7q n GLY 162 N 2.44 0.25 3.77 4.51 0.00 -1.26 -1.39 105.19 113.51 1p7q n GLY 162 Ca -0.17 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 1p7q n GLY 162 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1p7q s PRO 163 N 0.00 4.32 0.58 1.61 0.02 -1.26 -4.98 135.00 135.29 1p7q s PRO 163 Ca 0.00 1.97 -0.10 0.00 0.02 0.00 0.00 61.00 62.90 1p7q s PRO 163 Cb 0.00 -2.96 0.14 0.00 0.02 0.00 0.00 34.50 31.70 1p7q s PRO 163 CO 0.00 -0.13 0.51 1.33 -0.33 0.00 0.00 177.00 178.38 1p7q n VAL 164 N 0.64 0.00 0.00 3.83 0.24 -1.03 -4.65 118.33 117.36 1p7q n VAL 164 Ca 0.01 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1p7q n VAL 164 Cb 0.44 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 1p7q n VAL 164 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1p7q n SER 165 N -3.89 0.00 0.23 -1.34 3.41 -1.26 -2.01 113.62 108.76 1p7q n SER 165 Ca 0.07 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 1p7q n SER 165 Cb 0.27 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.68 1p7q n SER 165 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1p7q h PRO 166 N 0.00 0.00 0.00 4.33 0.11 -1.89 -3.21 132.00 131.34 1p7q h PRO 166 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1p7q h PRO 166 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1p7q h PRO 166 CO 0.00 0.16 0.00 0.43 -0.21 0.00 0.00 178.00 178.38 1p7q n SER 167 N -3.27 0.00 -3.64 -2.05 7.64 -1.26 -4.55 113.62 106.49 1p7q n SER 167 Ca 0.01 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.79 1p7q n SER 167 Cb 0.43 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.56 1p7q n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p7q s ARG 168 N -1.92 0.58 -0.31 1.43 1.70 -1.21 -5.14 118.95 114.08 1p7q s ARG 168 Ca 0.00 0.71 -0.26 0.00 -0.47 0.00 0.00 55.73 55.70 1p7q s ARG 168 Cb 0.00 0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.67 1p7q s ARG 168 CO 0.00 -0.07 0.94 -0.98 -1.08 0.00 0.00 175.30 174.11 1p7q s ARG 169 N 0.31 4.02 -0.87 3.89 1.70 -1.26 -4.73 118.95 122.01 1p7q s ARG 169 Ca 0.02 0.85 -0.15 0.00 -0.47 0.00 0.00 55.73 55.98 1p7q s ARG 169 Cb -0.05 -3.73 0.20 0.00 -0.57 0.00 0.00 34.95 30.80 1p7q s ARG 169 CO -0.05 -0.79 0.87 -1.58 -1.08 0.00 0.00 175.30 172.67 1p7q s TRP 170 N 3.30 3.64 -0.01 5.89 0.52 -1.26 -4.70 118.94 126.33 1p7q s TRP 170 Ca 0.39 -1.89 0.06 0.00 0.02 0.00 0.00 56.10 54.68 1p7q s TRP 170 Cb -0.13 -3.93 -0.03 0.00 -1.15 0.00 0.00 33.47 28.23 1p7q s TRP 170 CO 0.14 -1.10 -0.18 -1.58 0.02 0.00 0.00 176.95 174.24 1p7q s TRP 171 N 0.68 2.57 0.41 -1.98 0.52 -1.26 -1.97 118.94 117.91 1p7q s TRP 171 Ca 0.22 -0.25 0.04 0.00 0.02 0.00 0.00 56.10 56.13 1p7q s TRP 171 Cb -0.09 -1.53 -0.02 0.00 -1.15 0.00 0.00 33.47 30.68 1p7q s TRP 171 CO -0.09 0.17 0.16 0.71 0.02 0.00 0.00 176.95 177.92 1p7q s TYR 172 N -0.79 1.78 0.03 -1.98 1.51 0.94 -1.90 117.35 116.95 1p7q s TYR 172 Ca 0.12 -1.37 -0.25 0.00 -1.01 0.00 0.00 57.07 54.56 1p7q s TYR 172 Cb -0.10 -1.09 0.06 0.00 -0.11 0.00 0.00 41.96 40.71 1p7q s TYR 172 CO 0.02 -0.41 0.58 1.03 -1.11 0.00 0.00 175.55 175.66 1p7q s ARG 173 N -3.64 1.07 0.30 -0.62 0.52 -1.18 0.47 118.95 115.86 1p7q s ARG 173 Ca 0.25 -0.12 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 1p7q s ARG 173 Cb 0.02 0.50 -0.05 0.00 0.52 0.00 0.00 34.95 35.93 1p7q s ARG 173 CO 0.16 -0.39 0.10 0.00 0.02 0.00 0.00 175.30 175.20 1p7q s TYR 175 N -3.58 0.51 -0.05 0.00 1.51 -0.29 -1.51 117.35 113.93 1p7q s TYR 175 Ca 0.36 -0.50 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 1p7q s TYR 175 Cb 0.07 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.59 1p7q s TYR 175 CO 0.15 -0.12 -0.21 0.00 -1.11 0.00 0.00 175.55 174.26 1p7q s ALA 176 N -1.38 2.35 0.21 3.71 0.00 -1.26 -1.71 121.76 123.67 1p7q s ALA 176 Ca -0.12 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.64 1p7q s ALA 176 Cb -0.10 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1p7q s ALA 176 CO -0.00 0.46 0.53 1.52 0.00 0.00 0.00 175.76 178.27 1p7q s TYR 177 N -0.36 -0.06 -0.25 0.00 -0.85 -0.65 0.09 117.35 115.26 1p7q s TYR 177 Ca 0.03 -0.30 -0.05 0.00 -0.52 0.00 0.00 57.07 56.23 1p7q s TYR 177 Cb -0.12 0.39 -0.00 0.00 0.38 0.00 0.00 41.96 42.61 1p7q s TYR 177 CO 0.02 -0.95 0.01 0.34 -1.52 0.00 0.00 175.55 173.45 1p7q s ASP 178 N -2.90 4.72 0.53 -0.18 2.15 -1.26 -2.36 116.67 117.37 1p7q s ASP 178 Ca 0.11 -0.54 0.34 0.00 0.43 0.00 0.00 52.55 52.89 1p7q s ASP 178 Cb -0.01 -1.81 1.17 0.00 -0.30 0.00 0.00 42.92 41.97 1p7q s ASP 178 CO -0.00 -0.10 1.28 -1.54 -0.17 0.00 0.00 175.17 174.64 1p7q n SER 179 N 4.82 0.00 -1.49 -0.34 3.41 -1.26 0.65 113.62 119.41 1p7q n SER 179 Ca -0.16 0.78 -0.07 0.00 -0.26 0.00 0.00 58.87 59.16 1p7q n SER 179 Cb 0.49 -0.33 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1p7q n SER 179 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1p7q n ASN 180 N -3.37 4.44 0.00 4.04 4.13 -1.26 -4.30 115.26 118.94 1p7q n ASN 180 Ca 0.30 -2.57 0.00 0.00 1.68 0.00 0.00 54.58 53.99 1p7q n ASN 180 Cb 1.59 -0.81 0.00 0.00 -1.54 0.00 0.00 39.78 39.02 1p7q n ASN 180 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1p7q n SER 181 N 0.44 0.00 0.18 6.41 7.64 0.21 -5.07 113.62 123.42 1p7q n SER 181 Ca 0.16 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.16 1p7q n SER 181 Cb 0.68 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 64.01 1p7q n SER 181 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1p7q h PRO 182 N 0.00 0.00 -0.37 1.43 0.11 -1.75 -2.37 132.00 129.06 1p7q h PRO 182 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1p7q h PRO 182 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1p7q h PRO 182 CO 0.00 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.45 1p7q n TYR 183 N -2.90 0.40 -3.86 0.65 4.01 -1.26 -4.32 117.16 109.87 1p7q n TYR 183 Ca 0.03 -0.18 -0.35 0.00 -0.16 0.00 0.00 57.90 57.24 1p7q n TYR 183 Cb 0.53 -0.05 -0.13 0.00 -0.31 0.00 0.00 39.34 39.38 1p7q n TYR 183 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1p7q s GLU 184 N -1.65 1.92 0.32 -0.72 2.02 -0.89 -0.41 118.70 119.29 1p7q s GLU 184 Ca 0.17 -1.76 0.08 0.00 0.02 0.00 0.00 54.97 53.48 1p7q s GLU 184 Cb 0.10 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 1p7q s GLU 184 CO 0.10 -0.97 0.13 -1.58 0.02 0.00 0.00 175.26 172.96 1p7q s TRP 185 N 1.09 2.74 0.93 1.61 0.51 -0.45 -4.27 118.94 121.10 1p7q s TRP 185 Ca 0.07 -0.34 -0.13 0.00 -2.12 0.00 0.00 56.10 53.59 1p7q s TRP 185 Cb -0.21 -1.56 0.21 0.00 -0.81 0.00 0.00 33.47 31.09 1p7q s TRP 185 CO -0.05 0.39 1.27 -1.13 -0.51 0.00 0.00 176.95 176.91 1p7q n SER 186 N -1.12 0.43 -4.79 2.95 3.41 0.11 -2.19 113.62 112.42 1p7q n SER 186 Ca -0.04 -1.66 -0.34 0.00 -0.26 0.00 0.00 58.87 56.57 1p7q n SER 186 Cb 0.61 -0.94 -0.02 0.00 -0.26 0.00 0.00 64.21 63.60 1p7q n SER 186 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1p7q s LEU 187 N 0.00 3.79 0.67 1.04 1.43 -0.52 -1.84 118.68 123.25 1p7q s LEU 187 Ca 0.74 1.98 -0.14 0.00 -1.03 0.00 0.00 54.13 55.69 1p7q s LEU 187 Cb -0.02 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.64 1p7q s LEU 187 CO 0.51 -0.94 1.09 -2.16 0.23 0.00 0.00 176.35 175.09 1p7q s PRO 188 N -3.33 2.80 0.90 1.29 0.04 -1.26 -4.25 135.00 131.19 1p7q s PRO 188 Ca 0.68 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 1p7q s PRO 188 Cb -0.18 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.54 1p7q s PRO 188 CO 0.23 -1.24 1.18 -1.54 0.04 0.00 0.00 177.00 175.68 1p7q s SER 189 N -2.90 3.64 0.41 6.66 1.04 -0.57 -4.76 113.70 117.22 1p7q s SER 189 Ca 0.64 0.76 -0.26 0.00 0.48 0.00 0.00 55.95 57.57 1p7q s SER 189 Cb -0.18 -1.19 -0.09 0.00 0.10 0.00 0.00 66.02 64.66 1p7q s SER 189 CO 0.45 -2.45 1.29 -1.81 0.98 0.00 0.00 173.24 171.70 1p7q s ASP 190 N -4.37 6.30 0.12 7.02 1.01 -1.26 -4.54 116.67 120.95 1p7q s ASP 190 Ca 0.65 2.62 -0.31 0.00 0.71 0.00 0.00 52.55 56.22 1p7q s ASP 190 Cb -0.11 -2.64 -0.11 0.00 1.01 0.00 0.00 42.92 41.07 1p7q s ASP 190 CO 0.52 -0.86 1.83 -0.11 0.21 0.00 0.00 175.17 176.76 1p7q n LEU 191 N 0.08 4.00 -4.39 1.23 0.00 -1.26 -4.64 117.00 112.02 1p7q n LEU 191 Ca 0.04 0.99 -0.42 0.00 0.00 0.00 0.00 56.01 56.62 1p7q n LEU 191 Cb 0.44 -1.54 -0.10 0.00 0.00 0.00 0.00 43.42 42.22 1p7q n LEU 191 CO 0.55 0.16 -0.07 -0.22 0.00 0.00 0.00 177.39 177.81 1p7q s LEU 192 N 2.70 5.14 0.10 -1.96 2.96 0.18 -4.89 118.68 122.91 1p7q s LEU 192 Ca 0.82 -1.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.40 1p7q s LEU 192 Cb -0.49 -2.11 -0.07 0.00 0.50 0.00 0.00 46.19 44.02 1p7q s LEU 192 CO 0.38 -0.50 0.65 -1.61 -1.32 0.00 0.00 176.35 173.95 1p7q s GLU 193 N 1.60 4.35 0.20 1.98 2.02 -1.26 -0.04 118.70 127.55 1p7q s GLU 193 Ca 0.04 0.89 -0.02 0.00 0.02 0.00 0.00 54.97 55.90 1p7q s GLU 193 Cb -0.21 -3.26 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 1p7q s GLU 193 CO 0.07 0.58 0.41 -0.51 0.02 0.00 0.00 175.26 175.83 1p7q s LEU 194 N -0.99 4.21 -0.32 1.80 1.43 -0.83 -4.96 118.68 119.01 1p7q s LEU 194 Ca 0.32 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 1p7q s LEU 194 Cb -0.21 -3.26 0.08 0.00 0.03 0.00 0.00 46.19 42.83 1p7q s LEU 194 CO 0.21 -0.04 0.03 -0.22 0.23 0.00 0.00 176.35 176.56 1p7q s LEU 195 N -3.19 4.32 -0.24 1.79 2.96 -0.64 -4.80 118.68 118.88 1p7q s LEU 195 Ca 0.40 -1.72 -0.14 0.00 -0.22 0.00 0.00 54.13 52.45 1p7q s LEU 195 Cb -0.11 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1p7q s LEU 195 CO 0.28 -0.33 0.31 0.68 -1.32 0.00 0.00 176.35 175.97 1p7q s VAL 196 N 1.09 5.24 0.45 1.68 -7.23 -1.26 -2.07 120.40 118.30 1p7q s VAL 196 Ca 0.01 0.48 0.08 0.00 -1.81 0.00 0.00 61.98 60.75 1p7q s VAL 196 Cb -0.20 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.11 1p7q s VAL 196 CO -0.05 0.25 0.58 -0.76 -0.31 0.00 0.00 175.10 174.81 1p7q s LEU 197 N 1.51 3.51 0.00 1.32 1.02 -1.12 -4.83 118.68 120.09 1p7q s LEU 197 Ca 0.14 -0.56 0.00 0.00 0.02 0.00 0.00 54.13 53.73 1p7q s LEU 197 Cb -0.15 -2.37 0.00 0.00 0.02 0.00 0.00 46.19 43.69 1p7q s LEU 197 CO 0.08 -0.85 0.00 0.61 0.02 0.00 0.00 176.35 176.21