#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjk s ALA 23 N 0.00 3.31 0.00 4.31 0.00 -1.26 -5.02 121.76 123.10 3mjk s ALA 23 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 3mjk s ALA 23 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3mjk s ALA 23 CO 0.00 -0.04 0.00 0.39 0.00 0.00 0.00 175.76 176.11 3mjk n GLU 24 N 3.25 0.00 -3.58 0.00 1.02 -1.26 -5.14 120.64 114.93 3mjk n GLU 24 Ca -0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3mjk n GLU 24 Cb 0.51 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.83 3mjk n GLU 24 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3mjk s ILE 25 N 1.94 -0.64 0.32 -3.67 1.01 -1.26 -5.15 121.20 113.75 3mjk s ILE 25 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 60.65 60.48 3mjk s ILE 25 Cb 0.00 -0.70 -0.13 0.00 0.01 0.00 0.00 42.46 41.64 3mjk s ILE 25 CO 0.00 0.03 1.19 -2.65 0.00 0.00 0.00 174.94 173.51 3mjk n PRO 26 N 5.38 1.83 0.23 2.79 -0.02 -1.26 -4.90 135.00 139.05 3mjk n PRO 26 Ca -0.07 0.64 0.11 0.00 -2.02 0.00 0.00 63.50 62.16 3mjk n PRO 26 Cb 0.50 -2.15 0.39 0.00 -0.02 0.00 0.00 33.50 32.22 3mjk n PRO 26 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3mjk h ARG 27 N 2.44 0.00 -0.02 -0.52 0.11 -2.01 -2.84 114.38 111.53 3mjk h ARG 27 Ca -0.44 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.54 3mjk h ARG 27 Cb 1.30 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.39 3mjk h ARG 27 CO 0.63 0.14 -0.39 0.93 0.10 0.00 0.00 179.97 181.38 3mjk h GLU 28 N 0.00 0.31 -0.36 0.08 3.07 -1.98 -1.35 114.58 114.35 3mjk h GLU 28 Ca -0.00 -0.30 0.07 0.00 -0.50 0.00 0.00 59.36 58.63 3mjk h GLU 28 Cb 0.84 0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.75 3mjk h GLU 28 CO 0.02 0.98 -0.12 0.28 -1.40 0.00 0.00 179.01 178.77 3mjk h VAL 29 N -0.26 0.58 -0.12 3.13 2.07 -1.92 1.09 116.25 120.83 3mjk h VAL 29 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.51 3mjk h VAL 29 Cb 1.10 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3mjk h VAL 29 CO 0.08 0.00 -0.10 0.40 0.02 0.00 0.00 177.57 177.97 3mjk h ILE 30 N -0.04 0.72 0.07 4.57 1.08 -1.51 -0.91 117.51 121.49 3mjk h ILE 30 Ca 0.18 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.67 3mjk h ILE 30 Cb 0.31 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 3mjk h ILE 30 CO -0.39 0.00 -0.33 -0.33 -0.69 0.00 0.00 178.15 176.40 3mjk h GLU 31 N -0.11 -0.51 -0.93 2.37 3.07 0.20 -1.11 114.58 117.56 3mjk h GLU 31 Ca 0.08 0.03 0.20 0.00 -0.50 0.00 0.00 59.36 59.17 3mjk h GLU 31 Cb 0.22 0.12 -0.11 0.00 -0.84 0.00 0.00 28.75 28.14 3mjk h GLU 31 CO -0.18 -0.34 0.49 -0.09 -1.40 0.00 0.00 179.01 177.49 3mjk h ARG 32 N -0.53 0.55 -0.62 2.33 2.43 0.15 0.32 114.38 119.01 3mjk h ARG 32 Ca 0.04 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3mjk h ARG 32 Cb 0.58 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3mjk h ARG 32 CO -0.23 0.37 0.13 -0.07 -1.51 0.00 0.00 179.97 178.66 3mjk h LEU 33 N 0.57 0.94 0.40 3.80 3.38 -0.42 -2.83 115.31 121.14 3mjk h LEU 33 Ca 0.56 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 3mjk h LEU 33 Cb 0.96 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3mjk h LEU 33 CO -0.45 0.92 -0.19 0.00 0.09 0.00 0.00 178.44 178.82 3mjk h ALA 34 N 1.19 -0.92 0.00 1.53 0.00 0.75 -3.05 119.26 118.76 3mjk h ALA 34 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mjk h ALA 34 Cb 0.37 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3mjk h ALA 34 CO 0.00 -0.88 0.00 2.89 0.00 0.00 0.00 179.25 181.26 3mjk n ARG 35 N -3.75 0.58 -4.34 0.00 1.85 0.15 -4.76 116.66 106.39 3mjk n ARG 35 Ca -0.07 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.61 3mjk n ARG 35 Cb 0.21 -1.22 -0.10 0.00 -1.05 0.00 0.00 32.46 30.30 3mjk n ARG 35 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3mjk s SER 36 N 0.85 1.42 -0.29 2.89 0.15 -1.07 -4.99 113.70 112.66 3mjk s SER 36 Ca 0.00 -1.43 -0.03 0.00 0.70 0.00 0.00 55.95 55.19 3mjk s SER 36 Cb 0.00 0.19 0.04 0.00 -1.71 0.00 0.00 66.02 64.54 3mjk s SER 36 CO 0.00 -0.75 0.01 -1.10 1.20 0.00 0.00 173.24 172.60 3mjk s GLN 37 N -3.97 2.62 -0.13 5.44 -1.52 -1.26 -4.95 119.66 115.89 3mjk s GLN 37 Ca 0.37 -1.14 -0.03 0.00 -1.95 0.00 0.00 55.36 52.61 3mjk s GLN 37 Cb 0.07 -3.21 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 3mjk s GLN 37 CO 0.15 -0.56 -0.04 0.42 -0.25 0.00 0.00 175.29 175.01 3mjk s ILE 38 N 1.32 3.92 0.00 1.08 -1.09 -1.26 -4.97 121.20 120.20 3mjk s ILE 38 Ca -0.03 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 3mjk s ILE 38 Cb -0.19 -2.69 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 3mjk s ILE 38 CO -0.01 0.53 0.28 1.41 -1.23 0.00 0.00 174.94 175.93 3mjk n HIS 39 N 3.06 0.00 -3.60 3.97 8.25 -1.26 -5.05 115.22 120.59 3mjk n HIS 39 Ca -0.18 -0.04 -0.04 0.00 -0.26 0.00 0.00 57.72 57.21 3mjk n HIS 39 Cb 0.53 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 3mjk n HIS 39 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3mjk s SER 40 N -0.08 -0.16 0.42 0.41 1.04 -1.26 -4.97 113.70 109.09 3mjk s SER 40 Ca 0.00 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.44 3mjk s SER 40 Cb 0.00 0.22 0.88 0.00 0.10 0.00 0.00 66.02 67.23 3mjk s SER 40 CO 0.00 -0.38 2.06 0.40 0.98 0.00 0.00 173.24 176.30 3mjk h ILE 41 N 2.00 1.10 -0.58 -1.02 2.04 -1.99 -1.33 117.51 117.74 3mjk h ILE 41 Ca -0.18 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.57 3mjk h ILE 41 Cb 1.19 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 3mjk h ILE 41 CO 0.26 0.10 0.25 -0.09 0.00 0.00 0.00 178.15 178.66 3mjk h ARG 42 N 0.52 0.44 0.46 2.37 2.43 -1.98 0.58 114.38 119.19 3mjk h ARG 42 Ca 0.14 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3mjk h ARG 42 Cb -0.05 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3mjk h ARG 42 CO -0.03 0.29 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.06 3mjk h ASP 43 N 0.46 -0.52 -0.71 -3.80 3.45 -1.65 0.74 116.42 114.39 3mjk h ASP 43 Ca 0.28 0.01 0.15 0.00 0.43 0.00 0.00 57.03 57.90 3mjk h ASP 43 Cb 0.29 0.13 -0.13 0.00 -0.56 0.00 0.00 39.33 39.07 3mjk h ASP 43 CO -0.25 -0.36 -0.09 0.25 -1.57 0.00 0.00 179.24 177.22 3mjk h LEU 44 N -0.64 -0.50 -0.19 1.55 6.46 -0.58 1.44 115.31 122.85 3mjk h LEU 44 Ca -0.06 0.20 0.03 0.00 -0.12 0.00 0.00 57.88 57.93 3mjk h LEU 44 Cb 0.48 0.39 -0.03 0.00 -0.73 0.00 0.00 40.66 40.77 3mjk h LEU 44 CO 0.10 -0.20 0.00 1.56 -0.62 0.00 0.00 178.44 179.28 3mjk h GLN 45 N 0.05 0.06 0.30 1.25 4.20 0.56 -2.89 115.11 118.64 3mjk h GLN 45 Ca 0.36 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.06 3mjk h GLN 45 Cb 0.60 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3mjk h GLN 45 CO -0.68 0.04 -0.14 -0.09 -0.67 0.00 0.00 178.83 177.28 3mjk h ARG 46 N 0.07 -0.39 0.00 1.46 2.43 0.21 -2.50 114.38 115.66 3mjk h ARG 46 Ca 0.09 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3mjk h ARG 46 Cb 0.11 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3mjk h ARG 46 CO -0.15 -0.22 0.15 -0.11 -1.51 0.00 0.00 179.97 178.13 3mjk n LEU 47 N -5.24 0.00 -3.84 3.80 0.00 0.45 -3.63 117.00 108.54 3mjk n LEU 47 Ca -0.10 0.32 -0.14 0.00 0.00 0.00 0.00 56.01 56.09 3mjk n LEU 47 Cb 0.20 -0.32 -0.15 0.00 0.00 0.00 0.00 43.42 43.15 3mjk n LEU 47 CO 0.35 -0.32 -0.36 -0.76 0.00 0.00 0.00 177.39 176.30 3mjk s LEU 48 N -2.61 1.60 -0.32 -1.96 1.43 -0.94 -5.01 118.68 110.87 3mjk s LEU 48 Ca 0.00 -0.00 -0.27 0.00 -1.03 0.00 0.00 54.13 52.83 3mjk s LEU 48 Cb 0.00 -0.08 0.01 0.00 0.03 0.00 0.00 46.19 46.15 3mjk s LEU 48 CO 0.00 -0.05 0.99 -1.61 0.23 0.00 0.00 176.35 175.91 3mjk s GLU 49 N 0.47 4.03 0.00 1.70 8.01 -1.24 -4.59 118.70 127.08 3mjk s GLU 49 Ca -0.04 0.92 0.00 0.00 0.01 0.00 0.00 54.97 55.86 3mjk s GLU 49 Cb -0.06 -3.74 0.00 0.00 -4.31 0.00 0.00 34.13 26.02 3mjk s GLU 49 CO -0.01 -0.83 0.00 0.44 0.01 0.00 0.00 175.26 174.86 3mjk n ILE 50 N 5.76 0.00 -4.56 -1.63 -5.35 -1.26 -5.09 119.36 107.23 3mjk n ILE 50 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 3mjk n ILE 50 Cb 0.47 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 3mjk n ILE 50 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3mjk n ASP 51 N -1.87 0.00 -4.66 7.28 8.00 -1.26 -4.68 116.55 119.36 3mjk n ASP 51 Ca 0.00 0.00 -0.47 0.00 0.71 0.00 0.00 54.79 55.03 3mjk n ASP 51 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 3mjk n ASP 51 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3mjk n SER 52 N -0.59 2.96 0.00 -2.24 3.41 -1.26 -5.10 113.62 110.80 3mjk n SER 52 Ca 0.00 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 3mjk n SER 52 Cb 0.00 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 62.57 3mjk n SER 52 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3mjk n VAL 53 N 3.62 0.00 -0.93 -3.33 0.31 -1.26 -5.27 118.33 111.47 3mjk n VAL 53 Ca 0.18 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.23 3mjk n VAL 53 Cb 0.27 0.00 0.24 0.00 -0.91 0.00 0.00 33.84 33.44 3mjk n VAL 53 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3mjk n ARG 83 N 0.00 -3.19 0.00 5.55 5.12 -1.26 -5.18 116.66 117.70 3mjk n ARG 83 Ca 0.00 -1.61 0.00 0.00 -1.93 0.00 0.00 57.85 54.31 3mjk n ARG 83 Cb 0.00 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 3mjk n ARG 83 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3mjk n ARG 84 N -4.73 0.00 -1.78 5.56 3.00 -1.26 -5.16 116.66 112.29 3mjk n ARG 84 Ca 0.14 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.62 3mjk n ARG 84 Cb 0.55 0.00 0.06 0.00 0.00 0.00 0.00 32.46 33.07 3mjk n ARG 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3mjk s LYS 85 N 0.00 2.71 0.09 -0.14 1.02 -1.26 -4.81 119.74 117.35 3mjk s LYS 85 Ca 0.00 2.08 -0.31 0.00 0.02 0.00 0.00 55.97 57.76 3mjk s LYS 85 Cb 0.00 -1.93 -0.08 0.00 -0.52 0.00 0.00 37.83 35.29 3mjk s LYS 85 CO 0.00 -1.48 1.51 1.03 -0.92 0.00 0.00 175.35 175.49 3mjk s ARG 86 N -3.28 4.25 0.00 1.68 1.81 -1.26 -4.98 118.95 117.18 3mjk s ARG 86 Ca 0.80 2.20 0.00 0.00 -1.72 0.00 0.00 55.73 57.01 3mjk s ARG 86 Cb -0.37 -3.39 0.00 0.00 -0.45 0.00 0.00 34.95 30.73 3mjk s ARG 86 CO 0.41 -0.59 0.00 -0.89 -0.68 0.00 0.00 175.30 173.55 3mjk n ILE 88 N 4.32 -0.63 -2.28 1.52 2.08 -1.26 -5.28 119.36 117.83 3mjk n ILE 88 Ca 0.14 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 63.09 3mjk n ILE 88 Cb 0.41 -0.90 -0.01 0.00 -0.75 0.00 0.00 39.64 38.39 3mjk n ILE 88 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3mjk s GLU 89 N -1.13 3.61 0.21 0.38 -1.05 -1.26 -5.02 118.70 114.44 3mjk s GLU 89 Ca 0.00 1.68 -0.23 0.00 -0.15 0.00 0.00 54.97 56.27 3mjk s GLU 89 Cb 0.00 -2.24 -0.08 0.00 -0.44 0.00 0.00 34.13 31.37 3mjk s GLU 89 CO 0.00 -0.65 0.78 -2.00 0.95 0.00 0.00 175.26 174.33 3mjk s GLU 90 N -2.95 4.44 0.22 -4.83 2.12 -1.26 -5.01 118.70 111.43 3mjk s GLU 90 Ca 0.67 1.06 -0.30 0.00 0.36 0.00 0.00 54.97 56.76 3mjk s GLU 90 Cb -0.26 -3.04 -0.09 0.00 0.26 0.00 0.00 34.13 31.00 3mjk s GLU 90 CO 0.31 0.46 1.33 0.00 -0.54 0.00 0.00 175.26 176.82 3mjk s ALA 91 N -1.37 3.54 -0.24 6.30 0.00 -1.26 -5.01 121.76 123.72 3mjk s ALA 91 Ca 0.41 1.16 -0.09 0.00 0.00 0.00 0.00 51.96 53.43 3mjk s ALA 91 Cb -0.20 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 3mjk s ALA 91 CO 0.24 -0.58 0.13 0.08 0.00 0.00 0.00 175.76 175.63 3mjk s VAL 92 N -0.05 4.98 0.36 0.00 1.01 -1.26 -4.95 120.40 120.49 3mjk s VAL 92 Ca 0.56 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 62.31 3mjk s VAL 92 Cb -0.38 -3.32 -0.11 0.00 0.00 0.00 0.00 36.38 32.57 3mjk s VAL 92 CO 0.40 0.34 1.52 -0.81 0.00 0.00 0.00 175.10 176.56 3mjk n PRO 93 N 4.49 2.71 -2.76 2.72 -0.04 -1.26 -4.94 135.00 135.92 3mjk n PRO 93 Ca -0.15 0.95 -0.43 0.00 -0.04 0.00 0.00 63.50 63.83 3mjk n PRO 93 Cb 0.52 -2.70 -0.04 0.00 -0.04 0.00 0.00 33.50 31.24 3mjk n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mjk s ALA 94 N -0.88 3.12 0.52 0.55 0.00 -1.26 -5.00 121.76 118.80 3mjk s ALA 94 Ca 0.55 -1.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.20 3mjk s ALA 94 Cb -0.48 -3.82 -0.06 0.00 0.00 0.00 0.00 23.12 18.76 3mjk s ALA 94 CO 0.61 -2.45 1.32 0.28 0.00 0.00 0.00 175.76 175.52 3mjk n VAL 95 N 6.35 3.50 -2.36 0.00 0.31 -1.26 -1.81 118.33 123.06 3mjk n VAL 95 Ca 0.04 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.47 3mjk n VAL 95 Cb 0.48 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 3mjk n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mjk n LYS 97 N 9.29 0.08 -3.11 0.00 2.85 -0.65 -4.68 118.16 121.93 3mjk n LYS 97 Ca 0.10 -0.19 -0.39 0.00 -1.05 0.00 0.00 58.31 56.78 3mjk n LYS 97 Cb 0.50 0.21 -0.05 0.00 -0.65 0.00 0.00 35.03 35.04 3mjk n LYS 97 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 3mjk s THR 98 N -2.79 4.80 0.07 0.58 -1.32 -1.26 -0.14 115.64 115.59 3mjk s THR 98 Ca 0.02 1.41 -0.12 0.00 -1.21 0.00 0.00 61.69 61.79 3mjk s THR 98 Cb -0.00 -4.01 0.01 0.00 -1.51 0.00 0.00 72.50 66.99 3mjk s THR 98 CO 0.01 0.41 0.26 -0.13 -2.21 0.00 0.00 174.62 172.96 3mjk s ARG 99 N -0.26 0.83 0.13 7.08 0.52 0.35 -4.90 118.95 122.69 3mjk s ARG 99 Ca 0.34 -0.69 -0.24 0.00 -0.52 0.00 0.00 55.73 54.62 3mjk s ARG 99 Cb -0.19 0.35 -0.07 0.00 0.52 0.00 0.00 34.95 35.55 3mjk s ARG 99 CO 0.20 -0.27 0.74 0.95 0.02 0.00 0.00 175.30 176.94 3mjk s THR 100 N -3.09 4.49 0.21 0.02 -4.23 -1.26 -0.03 115.64 111.76 3mjk s THR 100 Ca -0.01 1.60 0.04 0.00 -1.18 0.00 0.00 61.69 62.15 3mjk s THR 100 Cb 0.01 -4.09 -0.05 0.00 1.34 0.00 0.00 72.50 69.71 3mjk s THR 100 CO -0.07 0.50 -0.04 0.68 -0.54 0.00 0.00 174.62 175.15 3mjk s VAL 101 N -0.96 1.19 -0.13 2.29 -7.23 -0.11 -4.92 120.40 110.54 3mjk s VAL 101 Ca 0.35 -2.06 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 3mjk s VAL 101 Cb -0.22 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 3mjk s VAL 101 CO 0.24 -0.44 0.23 -0.63 -0.31 0.00 0.00 175.10 174.19 3mjk s ILE 102 N -3.32 5.34 -0.19 -0.62 -1.09 -1.26 -1.47 121.20 118.60 3mjk s ILE 102 Ca 0.25 0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 59.09 3mjk s ILE 102 Cb 0.04 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.39 3mjk s ILE 102 CO 0.07 0.51 -0.15 -0.47 -1.23 0.00 0.00 174.94 173.66 3mjk s TYR 103 N -0.31 2.82 0.27 3.97 5.04 0.52 -4.95 117.35 124.72 3mjk s TYR 103 Ca 0.16 -1.37 -0.22 0.00 -2.44 0.00 0.00 57.07 53.19 3mjk s TYR 103 Cb -0.13 -1.96 -0.09 0.00 0.35 0.00 0.00 41.96 40.13 3mjk s TYR 103 CO 0.04 -0.69 0.82 -1.21 -1.34 0.00 0.00 175.55 173.17 3mjk s GLU 104 N 1.27 4.37 -0.23 4.97 2.02 -1.26 -1.07 118.70 128.77 3mjk s GLU 104 Ca 0.04 1.05 -0.29 0.00 0.02 0.00 0.00 54.97 55.79 3mjk s GLU 104 Cb -0.14 -2.80 -0.00 0.00 0.10 0.00 0.00 34.13 31.29 3mjk s GLU 104 CO -0.08 0.32 1.23 0.42 0.02 0.00 0.00 175.26 177.16 3mjk s ILE 105 N -1.60 4.31 -0.07 -1.63 -1.09 -0.27 -4.92 121.20 115.93 3mjk s ILE 105 Ca 0.47 1.55 -0.33 0.00 -2.23 0.00 0.00 60.65 60.11 3mjk s ILE 105 Cb -0.17 -4.14 -0.11 0.00 -1.58 0.00 0.00 42.46 36.47 3mjk s ILE 105 CO 0.22 -0.29 1.94 -2.65 -1.23 0.00 0.00 174.94 172.93 3mjk n PRO 106 N 6.83 2.31 -0.32 2.79 -0.02 -1.26 -4.88 135.00 140.46 3mjk n PRO 106 Ca 0.14 0.83 -0.05 0.00 -2.02 0.00 0.00 63.50 62.40 3mjk n PRO 106 Cb 0.46 -2.78 0.08 0.00 -0.02 0.00 0.00 33.50 31.24 3mjk n PRO 106 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3mjk h ARG 107 N 10.10 1.24 0.00 -0.52 2.43 -1.98 -1.64 114.38 124.01 3mjk h ARG 107 Ca -0.48 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.51 3mjk h ARG 107 Cb 1.26 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3mjk h ARG 107 CO 0.95 0.94 -0.02 0.66 -1.51 0.00 0.00 179.97 180.99 3mjk h SER 108 N 1.22 0.00 0.43 -3.80 4.64 -1.90 -0.39 113.55 113.76 3mjk h SER 108 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3mjk h SER 108 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3mjk h SER 108 CO -0.04 0.02 0.00 1.67 -0.87 0.00 0.00 176.83 177.61 3mjk n GLN 109 N -3.18 0.26 -0.04 4.77 7.27 -0.62 -3.50 117.38 122.34 3mjk n GLN 109 Ca -0.01 0.10 -0.07 0.00 0.07 0.00 0.00 57.00 57.08 3mjk n GLN 109 Cb 0.19 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.32 3mjk n GLN 109 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3mjk n VAL 110 N -1.31 1.35 -3.32 1.69 0.31 -0.18 -5.00 118.33 111.87 3mjk n VAL 110 Ca 0.09 0.18 -0.08 0.00 -0.01 0.00 0.00 64.34 64.52 3mjk n VAL 110 Cb 0.17 -2.03 -0.07 0.00 -0.91 0.00 0.00 33.84 31.01 3mjk n VAL 110 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3mjk s ASP 111 N -6.02 0.26 0.32 4.52 2.15 -1.03 -5.00 116.67 111.87 3mjk s ASP 111 Ca -0.19 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 52.72 3mjk s ASP 111 Cb 0.03 1.15 0.54 0.00 -0.30 0.00 0.00 42.92 44.35 3mjk s ASP 111 CO 0.28 -0.33 1.96 -0.65 -0.17 0.00 0.00 175.17 176.26 3mjk h PRO 112 N 8.16 0.90 0.00 4.34 0.11 -1.81 -3.34 132.00 140.36 3mjk h PRO 112 Ca -0.14 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3mjk h PRO 112 Cb 1.14 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3mjk h PRO 112 CO 0.27 0.63 0.00 2.41 -0.21 0.00 0.00 178.00 181.10 3mjk n THR 113 N -4.40 0.00 -1.92 -1.15 -1.04 -1.26 -4.84 114.28 99.67 3mjk n THR 113 Ca 0.07 0.68 -0.41 0.00 -2.04 0.00 0.00 64.05 62.35 3mjk n THR 113 Cb 0.07 -1.43 -0.01 0.00 -1.82 0.00 0.00 70.33 67.14 3mjk n THR 113 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3mjk s SER 114 N -1.75 6.52 0.00 8.00 0.15 -1.25 -4.91 113.70 120.46 3mjk s SER 114 Ca 0.00 2.86 0.00 0.00 0.70 0.00 0.00 55.95 59.51 3mjk s SER 114 Cb 0.00 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3mjk s SER 114 CO 0.00 -0.76 0.84 0.00 1.20 0.00 0.00 173.24 174.52 3mjk n ALA 115 N 1.26 2.17 -3.08 5.45 0.00 -1.26 -4.71 120.51 120.35 3mjk n ALA 115 Ca 0.03 -0.84 -0.41 0.00 0.00 0.00 0.00 53.44 52.23 3mjk n ALA 115 Cb 0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.84 3mjk n ALA 115 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mjk n ASN 116 N -0.32 6.04 -3.02 0.00 2.85 -1.26 -4.96 115.26 114.59 3mjk n ASN 116 Ca 0.00 -3.40 -0.05 0.00 -0.11 0.00 0.00 54.58 51.02 3mjk n ASN 116 Cb 0.17 -1.20 0.02 0.00 1.24 0.00 0.00 39.78 40.02 3mjk n ASN 116 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 3mjk n PHE 117 N 1.31 -1.64 -4.12 1.20 1.16 -1.26 -4.62 117.46 109.49 3mjk n PHE 117 Ca 0.26 -1.39 -0.15 0.00 -1.87 0.00 0.00 57.45 54.30 3mjk n PHE 117 Cb 0.34 0.69 -0.14 0.00 -1.61 0.00 0.00 39.48 38.76 3mjk n PHE 117 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3mjk s LEU 118 N 0.00 2.04 -0.14 5.98 0.20 0.72 -4.94 118.68 122.55 3mjk s LEU 118 Ca 0.20 -0.15 -0.02 0.00 0.69 0.00 0.00 54.13 54.85 3mjk s LEU 118 Cb -0.03 -0.23 -0.02 0.00 -0.43 0.00 0.00 46.19 45.47 3mjk s LEU 118 CO 0.07 0.02 -0.08 0.27 -0.29 0.00 0.00 176.35 176.35 3mjk s ILE 119 N -0.29 3.56 -0.04 6.68 -0.00 -1.26 0.72 121.20 130.57 3mjk s ILE 119 Ca 0.00 -0.48 0.01 0.00 -0.00 0.00 0.00 60.65 60.17 3mjk s ILE 119 Cb -0.03 -2.53 0.02 0.00 -0.00 0.00 0.00 42.46 39.93 3mjk s ILE 119 CO -0.00 0.51 -0.03 0.86 -0.00 0.00 0.00 174.94 176.28 3mjk s TRP 120 N 0.26 0.65 0.37 1.37 -0.00 -0.15 -3.19 118.94 118.25 3mjk s TRP 120 Ca -0.05 -0.16 -0.25 0.00 -0.00 0.00 0.00 56.10 55.64 3mjk s TRP 120 Cb -0.15 -0.62 -0.09 0.00 -0.00 0.00 0.00 33.47 32.61 3mjk s TRP 120 CO 0.04 -0.19 1.02 -1.25 -0.00 0.00 0.00 176.95 176.57 3mjk s PRO 121 N 1.01 4.34 0.39 5.86 0.04 -1.26 0.90 135.00 146.28 3mjk s PRO 121 Ca -0.10 1.46 0.28 0.00 0.04 0.00 0.00 61.00 62.68 3mjk s PRO 121 Cb -0.14 -2.65 0.98 0.00 0.04 0.00 0.00 34.50 32.72 3mjk s PRO 121 CO -0.01 0.02 1.80 -1.00 0.04 0.00 0.00 177.00 177.86 3mjk h PRO 122 N 2.78 0.00 -3.54 0.56 0.13 -1.96 -3.46 132.00 126.51 3mjk h PRO 122 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 3mjk h PRO 122 Cb 1.21 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 3mjk h PRO 122 CO 0.63 0.00 -0.44 0.00 -0.23 0.00 0.00 178.00 177.97 3mjk s VAL 124 N -2.11 0.20 0.09 0.00 -7.23 -0.23 -4.96 120.40 106.18 3mjk s VAL 124 Ca -0.09 -1.68 -0.13 0.00 -1.81 0.00 0.00 61.98 58.27 3mjk s VAL 124 Cb -0.03 -1.38 -0.06 0.00 0.56 0.00 0.00 36.38 35.46 3mjk s VAL 124 CO -0.02 -0.93 0.47 -1.61 -0.31 0.00 0.00 175.10 172.71 3mjk s GLU 125 N -3.67 3.90 -0.13 4.82 2.02 -1.26 -0.36 118.70 124.03 3mjk s GLU 125 Ca 0.05 0.38 -0.10 0.00 0.02 0.00 0.00 54.97 55.32 3mjk s GLU 125 Cb 0.06 -3.02 0.04 0.00 0.10 0.00 0.00 34.13 31.31 3mjk s GLU 125 CO -0.09 0.55 0.33 0.14 0.02 0.00 0.00 175.26 176.21 3mjk s VAL 126 N -1.36 -0.01 0.20 2.63 -7.23 -0.54 -4.94 120.40 109.15 3mjk s VAL 126 Ca 0.33 0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 60.25 3mjk s VAL 126 Cb -0.15 -0.47 -0.08 0.00 0.56 0.00 0.00 36.38 36.24 3mjk s VAL 126 CO 0.18 0.02 1.11 -0.54 -0.31 0.00 0.00 175.10 175.56 3mjk s LYS 127 N 0.60 4.59 0.10 4.82 -0.14 -1.26 -0.94 119.74 127.51 3mjk s LYS 127 Ca -0.03 1.75 -0.08 0.00 -1.36 0.00 0.00 55.97 56.25 3mjk s LYS 127 Cb -0.05 -3.26 -0.00 0.00 -1.68 0.00 0.00 37.83 32.84 3mjk s LYS 127 CO -0.04 0.08 0.19 1.03 -0.76 0.00 0.00 175.35 175.85 3mjk s ARG 128 N -0.53 0.87 -0.24 1.68 1.81 0.96 -1.19 118.95 122.31 3mjk s ARG 128 Ca 0.49 -1.00 -0.29 0.00 -1.72 0.00 0.00 55.73 53.20 3mjk s ARG 128 Cb -0.30 0.34 0.00 0.00 -0.45 0.00 0.00 34.95 34.54 3mjk s ARG 128 CO 0.36 -0.28 1.13 0.00 -0.68 0.00 0.00 175.30 175.83 3mjk s THR 130 N 3.49 0.69 0.00 0.00 -4.23 0.81 -4.96 115.64 111.43 3mjk s THR 130 Ca 0.48 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3mjk s THR 130 Cb -0.16 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.25 3mjk s THR 130 CO 0.12 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 3mjk n GLY 131 N 0.32 0.22 3.19 3.99 0.00 -1.26 -1.64 105.19 110.01 3mjk n GLY 131 Ca -0.15 -2.30 -0.11 0.00 0.00 0.00 0.00 46.02 43.46 3mjk n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mjk h ASN 134 N 0.74 0.00 -3.20 0.00 2.35 -1.90 -3.42 115.58 110.15 3mjk h ASN 134 Ca -0.41 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 54.87 3mjk h ASN 134 Cb 1.28 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.51 3mjk h ASN 134 CO 0.48 0.00 -0.63 0.42 -1.65 0.00 0.00 177.43 176.05 3mjk s THR 135 N -4.44 1.30 -0.61 2.81 -4.23 -1.26 -4.97 115.64 104.23 3mjk s THR 135 Ca -0.04 -2.03 0.24 0.00 -1.18 0.00 0.00 61.69 58.68 3mjk s THR 135 Cb 0.13 -2.68 0.11 0.00 1.34 0.00 0.00 72.50 71.41 3mjk s THR 135 CO 0.46 -0.10 1.41 0.28 -0.54 0.00 0.00 174.62 176.12 3mjk h SER 136 N 2.18 0.00 0.60 3.99 0.02 -1.99 -3.28 113.55 115.07 3mjk h SER 136 Ca -0.40 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 3mjk h SER 136 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3mjk h SER 136 CO 0.69 0.07 0.00 -1.54 -1.14 0.00 0.00 176.83 174.91 3mjk n SER 137 N -2.25 0.17 -4.31 3.07 3.41 -1.26 -4.67 113.62 107.78 3mjk n SER 137 Ca 0.03 0.54 -0.32 0.00 -0.26 0.00 0.00 58.87 58.87 3mjk n SER 137 Cb 0.45 -0.58 -0.16 0.00 -0.26 0.00 0.00 64.21 63.67 3mjk n SER 137 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3mjk s VAL 138 N -3.08 2.22 0.08 -3.33 1.01 -1.24 -5.06 120.40 111.00 3mjk s VAL 138 Ca 0.07 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.11 3mjk s VAL 138 Cb 0.10 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3mjk s VAL 138 CO 0.32 0.57 -0.20 -0.54 0.00 0.00 0.00 175.10 175.25 3mjk s LYS 139 N -0.35 1.86 -0.47 2.72 3.01 -1.23 -4.29 119.74 121.00 3mjk s LYS 139 Ca 0.02 -1.11 -0.28 0.00 -1.01 0.00 0.00 55.97 53.60 3mjk s LYS 139 Cb -0.12 -2.10 -0.01 0.00 -1.01 0.00 0.00 37.83 34.59 3mjk s LYS 139 CO 0.02 0.51 1.65 0.00 0.51 0.00 0.00 175.35 178.04 3mjk s GLN 141 N 5.83 2.56 0.21 0.00 -1.52 0.21 -4.84 119.66 122.11 3mjk s GLN 141 Ca 0.67 -0.86 -0.27 0.00 -1.95 0.00 0.00 55.36 52.95 3mjk s GLN 141 Cb -0.16 -2.54 -0.09 0.00 -0.22 0.00 0.00 33.01 30.01 3mjk s GLN 141 CO 0.28 0.53 0.86 -1.25 -0.25 0.00 0.00 175.29 175.47 3mjk s PRO 142 N -2.40 4.70 0.00 2.91 0.04 -1.26 -0.06 135.00 138.93 3mjk s PRO 142 Ca 0.26 1.32 0.14 0.00 0.04 0.00 0.00 61.00 62.77 3mjk s PRO 142 Cb -0.11 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 3mjk s PRO 142 CO 0.19 0.53 0.76 -1.13 0.04 0.00 0.00 177.00 177.39 3mjk n SER 143 N 1.47 1.39 -3.69 6.66 3.41 0.12 -4.90 113.62 118.08 3mjk n SER 143 Ca -0.03 -1.19 -0.12 0.00 -0.26 0.00 0.00 58.87 57.27 3mjk n SER 143 Cb 0.48 0.55 -0.12 0.00 -0.26 0.00 0.00 64.21 64.86 3mjk n SER 143 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3mjk s ARG 144 N -1.84 0.25 0.02 4.33 0.52 -1.22 -4.93 118.95 116.07 3mjk s ARG 144 Ca 0.11 0.75 0.05 0.00 -0.52 0.00 0.00 55.73 56.12 3mjk s ARG 144 Cb 0.11 0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.58 3mjk s ARG 144 CO 0.39 -0.22 -0.16 0.14 0.02 0.00 0.00 175.30 175.47 3mjk s VAL 145 N 1.91 1.30 -0.15 3.52 -7.23 -1.26 -1.17 120.40 117.32 3mjk s VAL 145 Ca -0.05 -0.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 3mjk s VAL 145 Cb -0.11 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.72 3mjk s VAL 145 CO -0.10 0.20 -0.19 -2.28 -0.31 0.00 0.00 175.10 172.42 3mjk s HIS 146 N -0.63 2.52 -0.28 2.82 2.46 0.18 -4.97 115.29 117.40 3mjk s HIS 146 Ca 0.05 -1.35 -0.10 0.00 0.47 0.00 0.00 55.06 54.13 3mjk s HIS 146 Cb -0.07 -1.75 -0.04 0.00 -0.13 0.00 0.00 32.58 30.59 3mjk s HIS 146 CO 0.01 -0.66 0.15 -1.01 -2.47 0.00 0.00 174.74 170.75 3mjk s HIS 147 N 1.08 3.17 0.30 3.88 3.76 -1.26 -1.22 115.29 125.01 3mjk s HIS 147 Ca -0.02 -0.17 0.03 0.00 -0.15 0.00 0.00 55.06 54.76 3mjk s HIS 147 Cb -0.14 -2.33 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 3mjk s HIS 147 CO -0.06 -0.28 0.16 -0.98 -0.85 0.00 0.00 174.74 172.73 3mjk s ARG 148 N 1.69 1.60 0.11 1.40 1.70 -0.95 -5.00 118.95 119.50 3mjk s ARG 148 Ca 0.06 -1.91 0.08 0.00 -0.47 0.00 0.00 55.73 53.49 3mjk s ARG 148 Cb -0.16 -0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.11 3mjk s ARG 148 CO 0.08 -0.46 -0.20 -1.12 -1.08 0.00 0.00 175.30 172.52 3mjk s SER 149 N -3.37 2.51 0.02 -2.89 0.01 -1.26 -1.36 113.70 107.37 3mjk s SER 149 Ca 0.36 -0.72 -0.10 0.00 1.31 0.00 0.00 55.95 56.79 3mjk s SER 149 Cb 0.05 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.15 3mjk s SER 149 CO 0.18 0.03 0.21 0.68 0.41 0.00 0.00 173.24 174.75 3mjk s VAL 150 N -1.38 0.09 -0.09 3.43 -7.23 -0.54 -4.95 120.40 109.73 3mjk s VAL 150 Ca 0.08 -0.77 -0.05 0.00 -1.81 0.00 0.00 61.98 59.43 3mjk s VAL 150 Cb -0.09 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 3mjk s VAL 150 CO 0.05 -0.43 0.10 -1.59 -0.31 0.00 0.00 175.10 172.92 3mjk s LYS 151 N -2.16 3.28 0.30 4.82 -2.85 -1.26 0.72 119.74 122.60 3mjk s LYS 151 Ca -0.08 -0.25 0.08 0.00 -1.00 0.00 0.00 55.97 54.72 3mjk s LYS 151 Cb -0.03 -3.05 -0.06 0.00 -2.06 0.00 0.00 37.83 32.63 3mjk s LYS 151 CO -0.02 0.74 -0.08 0.14 0.10 0.00 0.00 175.35 176.24 3mjk s VAL 152 N -1.02 1.88 -0.02 1.79 -7.23 -0.13 -4.89 120.40 110.79 3mjk s VAL 152 Ca 0.16 -2.16 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 3mjk s VAL 152 Cb -0.12 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 3mjk s VAL 152 CO 0.05 -0.27 0.29 0.00 -0.31 0.00 0.00 175.10 174.86 3mjk s ALA 153 N -2.86 3.81 -0.25 1.32 0.00 0.26 -0.43 121.76 123.61 3mjk s ALA 153 Ca 0.30 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 3mjk s ALA 153 Cb 0.03 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 21.02 3mjk s ALA 153 CO 0.14 0.59 -0.04 0.21 0.00 0.00 0.00 175.76 176.65 3mjk s LYS 154 N -1.43 2.99 -0.19 0.00 2.20 -0.34 -0.98 119.74 121.99 3mjk s LYS 154 Ca 0.24 -0.88 -0.03 0.00 -0.36 0.00 0.00 55.97 54.95 3mjk s LYS 154 Cb -0.14 -3.02 -0.01 0.00 -1.51 0.00 0.00 37.83 33.15 3mjk s LYS 154 CO 0.13 -0.35 -0.07 0.08 -0.36 0.00 0.00 175.35 174.77 3mjk s VAL 155 N 1.38 3.31 0.24 4.02 1.01 0.22 -1.74 120.40 128.86 3mjk s VAL 155 Ca 0.02 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3mjk s VAL 155 Cb -0.16 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3mjk s VAL 155 CO -0.04 0.46 0.14 -1.83 0.00 0.00 0.00 175.10 173.83 3mjk s GLU 156 N 1.05 1.37 -0.41 2.72 1.03 -0.82 -0.20 118.70 123.45 3mjk s GLU 156 Ca 0.00 -1.74 0.03 0.00 0.03 0.00 0.00 54.97 53.29 3mjk s GLU 156 Cb -0.15 0.06 0.12 0.00 -0.80 0.00 0.00 34.13 33.36 3mjk s GLU 156 CO -0.01 -0.39 0.15 0.71 -1.33 0.00 0.00 175.26 174.40 3mjk s TYR 157 N -3.90 3.03 -0.03 4.83 4.12 -1.26 -1.35 117.35 122.79 3mjk s TYR 157 Ca 0.38 -2.81 -0.16 0.00 0.02 0.00 0.00 57.07 54.50 3mjk s TYR 157 Cb 0.07 -2.58 -0.09 0.00 -1.52 0.00 0.00 41.96 37.84 3mjk s TYR 157 CO 0.15 -0.85 0.68 0.28 0.02 0.00 0.00 175.55 175.83 3mjk h VAL 158 N 6.02 0.00 -4.60 0.71 2.07 -1.96 -3.44 116.25 115.04 3mjk h VAL 158 Ca -0.06 -0.56 -0.24 0.00 0.82 0.00 0.00 66.70 66.65 3mjk h VAL 158 Cb 0.96 0.00 0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3mjk h VAL 158 CO 0.56 0.00 0.04 0.54 0.02 0.00 0.00 177.57 178.74 3mjk n ARG 159 N -5.15 0.33 0.00 1.57 5.12 -1.26 -4.87 116.66 112.41 3mjk n ARG 159 Ca -0.07 -1.46 0.00 0.00 -1.93 0.00 0.00 57.85 54.39 3mjk n ARG 159 Cb 0.23 -0.31 0.00 0.00 -1.16 0.00 0.00 32.46 31.22 3mjk n ARG 159 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3mjk n LYS 160 N -1.91 0.73 -4.39 5.56 5.02 -1.26 -4.75 118.16 117.15 3mjk n LYS 160 Ca 0.09 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.12 3mjk n LYS 160 Cb 0.31 -1.22 -0.11 0.00 -0.02 0.00 0.00 35.03 33.99 3mjk n LYS 160 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3mjk s LYS 161 N -0.22 1.73 -0.05 1.97 1.02 -1.26 -5.09 119.74 117.83 3mjk s LYS 161 Ca 0.00 -1.50 -0.30 0.00 0.02 0.00 0.00 55.97 54.19 3mjk s LYS 161 Cb 0.00 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.33 3mjk s LYS 161 CO 0.00 0.39 1.52 -1.25 -0.92 0.00 0.00 175.35 175.09 3mjk s PRO 162 N -2.93 4.22 -0.03 -1.68 0.04 -1.26 -3.70 135.00 129.66 3mjk s PRO 162 Ca 0.24 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.38 3mjk s PRO 162 Cb -0.07 -3.81 -0.01 0.00 0.04 0.00 0.00 34.50 30.65 3mjk s PRO 162 CO 0.13 -0.74 -0.20 0.15 0.04 0.00 0.00 177.00 176.38 3mjk s LYS 163 N 3.40 1.76 -0.06 4.56 -0.14 -0.46 -5.03 119.74 123.77 3mjk s LYS 163 Ca 0.67 -0.70 -0.02 0.00 -1.36 0.00 0.00 55.97 54.56 3mjk s LYS 163 Cb -0.31 -1.62 0.03 0.00 -1.68 0.00 0.00 37.83 34.25 3mjk s LYS 163 CO 0.26 0.37 0.06 -1.17 -0.76 0.00 0.00 175.35 174.11 3mjk s LEU 164 N -0.30 0.21 -0.09 3.17 0.20 -1.26 -1.94 118.68 118.68 3mjk s LEU 164 Ca 0.03 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 54.87 3mjk s LEU 164 Cb -0.09 -0.18 0.00 0.00 -0.43 0.00 0.00 46.19 45.49 3mjk s LEU 164 CO 0.00 -0.26 -0.22 -1.59 -0.29 0.00 0.00 176.35 174.00 3mjk s LYS 165 N 2.15 2.72 0.14 1.98 -2.85 -0.71 -4.93 119.74 118.25 3mjk s LYS 165 Ca 0.05 -0.80 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 3mjk s LYS 165 Cb -0.13 -2.11 -0.07 0.00 -2.06 0.00 0.00 37.83 33.47 3mjk s LYS 165 CO -0.04 0.18 1.12 -1.21 0.10 0.00 0.00 175.35 175.50 3mjk s GLU 166 N 0.32 4.55 -0.02 1.78 2.02 -1.26 -1.20 118.70 124.89 3mjk s GLU 166 Ca -0.16 1.72 0.08 0.00 0.02 0.00 0.00 54.97 56.63 3mjk s GLU 166 Cb -0.17 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.74 3mjk s GLU 166 CO 0.07 -0.01 -0.25 0.08 0.02 0.00 0.00 175.26 175.17 3mjk s VAL 167 N 0.12 2.11 0.12 2.63 1.01 0.42 -4.94 120.40 121.87 3mjk s VAL 167 Ca 0.52 -1.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 3mjk s VAL 167 Cb -0.29 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 3mjk s VAL 167 CO 0.33 0.58 0.83 -1.58 0.00 0.00 0.00 175.10 175.27 3mjk s GLN 168 N -0.59 4.61 -0.00 2.72 0.74 -1.26 -0.95 119.66 124.93 3mjk s GLN 168 Ca 0.09 1.23 0.05 0.00 0.05 0.00 0.00 55.36 56.78 3mjk s GLN 168 Cb -0.10 -3.32 -0.01 0.00 1.10 0.00 0.00 33.01 30.67 3mjk s GLN 168 CO -0.01 0.39 -0.15 0.08 -0.55 0.00 0.00 175.29 175.06 3mjk s VAL 169 N -0.54 1.16 -0.20 1.34 1.01 0.22 -4.95 120.40 118.44 3mjk s VAL 169 Ca 0.40 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 3mjk s VAL 169 Cb -0.23 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3mjk s VAL 169 CO 0.27 0.27 0.49 -0.13 0.00 0.00 0.00 175.10 176.00 3mjk s ARG 170 N -0.51 4.18 0.12 2.72 1.81 -1.26 -1.46 118.95 124.55 3mjk s ARG 170 Ca 0.05 0.37 0.09 0.00 -1.72 0.00 0.00 55.73 54.51 3mjk s ARG 170 Cb -0.06 -3.56 -0.04 0.00 -0.45 0.00 0.00 34.95 30.84 3mjk s ARG 170 CO -0.00 -0.13 -0.16 -0.51 -0.68 0.00 0.00 175.30 173.81 3mjk s LEU 171 N 1.58 2.77 -0.15 2.53 1.43 -0.46 -5.00 118.68 121.38 3mjk s LEU 171 Ca 0.23 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3mjk s LEU 171 Cb -0.15 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3mjk s LEU 171 CO 0.09 0.18 -0.18 -0.70 0.23 0.00 0.00 176.35 175.97 3mjk s GLU 172 N -2.17 2.62 0.07 1.70 2.12 -1.26 -2.24 118.70 119.54 3mjk s GLU 172 Ca 0.19 -0.69 0.09 0.00 0.36 0.00 0.00 54.97 54.91 3mjk s GLU 172 Cb -0.11 -2.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.00 3mjk s GLU 172 CO 0.11 -0.14 -0.25 -1.21 -0.54 0.00 0.00 175.26 173.23 3mjk s GLU 173 N 1.17 1.56 -0.13 4.30 2.02 -0.35 -4.77 118.70 122.50 3mjk s GLU 173 Ca -0.00 -1.14 -0.04 0.00 0.02 0.00 0.00 54.97 53.81 3mjk s GLU 173 Cb -0.14 -1.80 -0.03 0.00 0.10 0.00 0.00 34.13 32.25 3mjk s GLU 173 CO -0.07 0.45 0.01 -1.01 0.02 0.00 0.00 175.26 174.66 3mjk s HIS 174 N -0.90 3.17 -0.47 1.61 3.76 -0.34 0.50 115.29 122.63 3mjk s HIS 174 Ca 0.11 0.05 0.11 0.00 -0.15 0.00 0.00 55.06 55.17 3mjk s HIS 174 Cb -0.10 -1.92 -0.12 0.00 1.11 0.00 0.00 32.58 31.56 3mjk s HIS 174 CO 0.03 0.26 0.44 1.28 -0.85 0.00 0.00 174.74 175.90 3mjk n LEU 175 N 2.88 0.47 -3.57 0.89 4.77 -0.32 -4.39 117.00 117.73 3mjk n LEU 175 Ca -0.18 -0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 55.17 3mjk n LEU 175 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 3mjk n LEU 175 CO 0.32 0.12 0.37 -0.70 -1.33 0.00 0.00 177.39 176.16 3mjk s GLU 176 N -2.05 0.97 0.10 3.23 2.12 -1.25 -4.95 118.70 116.86 3mjk s GLU 176 Ca 0.03 0.26 -0.01 0.00 0.36 0.00 0.00 54.97 55.61 3mjk s GLU 176 Cb 0.08 0.46 -0.04 0.00 0.26 0.00 0.00 34.13 34.89 3mjk s GLU 176 CO 0.44 -0.28 0.03 0.00 -0.54 0.00 0.00 175.26 174.90 3mjk s ALA 178 N -3.99 -1.71 -0.34 0.00 0.00 0.92 -4.85 121.76 111.79 3mjk s ALA 178 Ca 0.16 0.88 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 3mjk s ALA 178 Cb 0.08 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.67 3mjk s ALA 178 CO -0.04 -0.62 0.84 0.00 0.00 0.00 0.00 175.76 175.94