#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjk s GLU 24 N 0.00 0.26 0.01 0.00 2.12 -1.26 -5.12 118.70 114.71 3mjk s GLU 24 Ca 0.00 0.11 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 3mjk s GLU 24 Cb 0.00 0.12 -0.07 0.00 0.26 0.00 0.00 34.13 34.44 3mjk s GLU 24 CO 0.00 -0.04 1.71 0.42 -0.54 0.00 0.00 175.26 176.81 3mjk s ILE 25 N -0.21 3.26 -0.27 -3.70 1.09 -1.26 -4.88 121.20 115.23 3mjk s ILE 25 Ca -0.03 0.49 -0.37 0.00 -1.10 0.00 0.00 60.65 59.64 3mjk s ILE 25 Cb -0.03 -3.32 -0.13 0.00 -1.06 0.00 0.00 42.46 37.93 3mjk s ILE 25 CO 0.01 -0.03 1.96 -2.65 -0.10 0.00 0.00 174.94 174.12 3mjk n PRO 26 N 6.61 1.32 0.00 2.79 -0.02 -1.26 -4.73 135.00 139.71 3mjk n PRO 26 Ca 0.17 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3mjk n PRO 26 Cb 0.42 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3mjk n PRO 26 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3mjk n ARG 27 N 6.80 0.00 -0.07 -0.52 0.63 -1.26 0.17 116.66 122.41 3mjk n ARG 27 Ca 0.32 0.05 -0.18 0.00 -0.92 0.00 0.00 57.85 57.12 3mjk n ARG 27 Cb 0.20 -1.51 -0.13 0.00 0.45 0.00 0.00 32.46 31.47 3mjk n ARG 27 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3mjk h GLU 28 N 0.00 0.04 -0.47 -0.14 4.57 -2.01 -3.27 114.58 113.30 3mjk h GLU 28 Ca 0.00 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 3mjk h GLU 28 Cb 0.03 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3mjk h GLU 28 CO 0.00 1.03 0.10 0.28 -1.18 0.00 0.00 179.01 179.24 3mjk h VAL 29 N -0.90 1.21 0.75 0.32 2.07 -0.63 -2.48 116.25 116.60 3mjk h VAL 29 Ca -0.17 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 3mjk h VAL 29 Cb 1.22 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3mjk h VAL 29 CO -0.07 0.28 -0.47 0.40 0.02 0.00 0.00 177.57 177.74 3mjk h ILE 30 N 0.69 0.00 -1.01 4.57 1.08 -1.59 -1.28 117.51 119.98 3mjk h ILE 30 Ca 0.15 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.81 3mjk h ILE 30 Cb 0.28 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.92 3mjk h ILE 30 CO -0.00 0.00 0.61 -0.33 -0.69 0.00 0.00 178.15 177.74 3mjk h GLU 31 N -1.14 0.74 0.40 2.37 5.08 -1.58 0.54 114.58 120.99 3mjk h GLU 31 Ca -0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3mjk h GLU 31 Cb 0.92 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 3mjk h GLU 31 CO 0.10 0.49 -0.24 -0.09 -1.00 0.00 0.00 179.01 178.27 3mjk h ARG 32 N 0.77 -0.59 -0.88 2.33 2.43 -1.09 -2.03 114.38 115.32 3mjk h ARG 32 Ca 0.58 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.87 3mjk h ARG 32 Cb 0.90 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 3mjk h ARG 32 CO -0.38 -0.39 0.54 -0.07 -1.51 0.00 0.00 179.97 178.16 3mjk h LEU 33 N -0.61 0.82 -1.22 3.80 3.38 -0.16 -2.13 115.31 119.19 3mjk h LEU 33 Ca -0.04 0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3mjk h LEU 33 Cb 0.50 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3mjk h LEU 33 CO 0.05 0.50 0.53 0.00 0.09 0.00 0.00 178.44 179.62 3mjk h ALA 34 N 1.44 1.48 -0.61 1.53 0.00 -0.45 -1.86 119.26 120.79 3mjk h ALA 34 Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3mjk h ALA 34 Cb 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3mjk h ALA 34 CO -0.20 0.45 0.00 2.89 0.00 0.00 0.00 179.25 182.39 3mjk n ARG 35 N -4.44 4.19 -3.85 0.00 1.85 -0.81 -4.81 116.66 108.80 3mjk n ARG 35 Ca 0.10 -3.00 -0.21 0.00 -1.00 0.00 0.00 57.85 53.73 3mjk n ARG 35 Cb 0.08 -2.04 -0.04 0.00 -1.05 0.00 0.00 32.46 29.41 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 -0.90 5.29 -0.37 2.89 0.15 -0.70 -5.07 113.70 115.00 3mjk s SER 36 Ca 0.52 -0.48 -0.14 0.00 0.70 0.00 0.00 55.95 56.55 3mjk s SER 36 Cb 0.37 -1.00 -0.00 0.00 -1.71 0.00 0.00 66.02 63.67 3mjk s SER 36 CO 0.21 -0.33 0.26 -1.10 1.20 0.00 0.00 173.24 173.49 3mjk s GLN 37 N -3.98 3.27 -0.21 5.44 -1.52 -1.26 -4.98 119.66 116.42 3mjk s GLN 37 Ca 0.40 -0.80 0.01 0.00 -1.95 0.00 0.00 55.36 53.02 3mjk s GLN 37 Cb -0.06 -3.87 0.05 0.00 -0.22 0.00 0.00 33.01 28.91 3mjk s GLN 37 CO 0.26 -0.57 -0.08 0.42 -0.25 0.00 0.00 175.29 175.07 3mjk s ILE 38 N 1.70 1.61 -0.18 1.08 1.01 -1.26 -5.00 121.20 120.16 3mjk s ILE 38 Ca 0.06 -1.10 0.22 0.00 0.00 0.00 0.00 60.65 59.83 3mjk s ILE 38 Cb -0.18 -1.75 -0.09 0.00 0.01 0.00 0.00 42.46 40.44 3mjk s ILE 38 CO 0.10 0.06 0.89 1.41 0.00 0.00 0.00 174.94 177.40 3mjk n HIS 39 N 4.67 0.73 -3.61 3.97 8.25 -1.26 -5.00 115.22 122.96 3mjk n HIS 39 Ca -0.14 0.21 -0.02 0.00 -0.26 0.00 0.00 57.72 57.52 3mjk n HIS 39 Cb 0.45 -0.85 0.01 0.00 1.12 0.00 0.00 29.99 30.72 3mjk n HIS 39 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3mjk n SER 40 N -2.58 -0.92 0.19 0.41 3.41 -1.26 -4.89 113.62 107.97 3mjk n SER 40 Ca -0.02 -1.51 0.06 0.00 -0.26 0.00 0.00 58.87 57.14 3mjk n SER 40 Cb 0.57 1.50 0.31 0.00 -0.26 0.00 0.00 64.21 66.33 3mjk n SER 40 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3mjk h ILE 41 N 1.49 0.84 0.17 -1.33 2.04 -1.96 -2.10 117.51 116.67 3mjk h ILE 41 Ca -0.14 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.16 3mjk h ILE 41 Cb 0.60 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 3mjk h ILE 41 CO 0.19 0.36 -0.08 0.03 0.00 0.00 0.00 178.15 178.65 3mjk h ARG 42 N 0.00 -0.22 -0.36 2.37 -0.00 -1.99 -1.51 114.38 112.67 3mjk h ARG 42 Ca -0.00 0.02 0.05 0.00 -0.50 0.00 0.00 59.98 59.54 3mjk h ARG 42 Cb 0.94 0.05 -0.08 0.00 0.00 0.00 0.00 29.97 30.88 3mjk h ARG 42 CO 0.05 0.11 -0.56 -0.44 0.00 0.00 0.00 179.97 179.13 3mjk h ASP 43 N -0.58 -1.84 -0.86 7.04 3.45 -1.90 0.18 116.42 121.91 3mjk h ASP 43 Ca -0.02 0.24 0.19 0.00 0.43 0.00 0.00 57.03 57.86 3mjk h ASP 43 Cb 0.44 0.75 -0.16 0.00 -0.56 0.00 0.00 39.33 39.80 3mjk h ASP 43 CO 0.04 -0.42 -0.13 0.25 -1.57 0.00 0.00 179.24 177.41 3mjk h LEU 44 N -0.44 -0.65 -0.46 1.55 6.46 -1.30 0.83 115.31 121.31 3mjk h LEU 44 Ca 0.06 0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 58.05 3mjk h LEU 44 Cb 0.61 0.48 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 3mjk h LEU 44 CO -0.57 -0.27 0.21 1.56 -0.62 0.00 0.00 178.44 178.75 3mjk h GLN 45 N 0.02 0.67 -0.59 1.25 4.20 0.08 0.59 115.11 121.33 3mjk h GLN 45 Ca 0.44 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 3mjk h GLN 45 Cb 0.75 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 3mjk h GLN 45 CO -0.84 0.58 0.24 0.00 -0.67 0.00 0.00 178.83 178.13 3mjk h ARG 46 N 0.60 0.88 -0.07 1.46 3.08 0.27 0.25 114.38 120.84 3mjk h ARG 46 Ca 0.16 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mjk h ARG 46 Cb 0.14 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3mjk h ARG 46 CO -0.02 0.75 0.05 -0.07 -1.07 0.00 0.00 179.97 179.61 3mjk h LEU 47 N 0.82 0.09 0.00 3.04 3.38 0.79 -2.58 115.31 120.85 3mjk h LEU 47 Ca 0.20 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3mjk h LEU 47 Cb 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3mjk h LEU 47 CO -0.02 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.80 3mjk n LEU 48 N -5.02 0.00 -2.31 1.67 4.77 0.17 -4.94 117.00 111.35 3mjk n LEU 48 Ca -0.06 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.90 3mjk n LEU 48 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3mjk n LEU 48 CO 0.33 0.00 0.12 -0.62 -1.33 0.00 0.00 177.39 175.89 3mjk n GLU 49 N -0.96 -0.98 -1.26 3.23 -0.58 -0.30 -5.05 120.64 114.74 3mjk n GLU 49 Ca 0.22 1.20 0.00 0.00 -0.42 0.00 0.00 57.16 58.16 3mjk n GLU 49 Cb 0.10 -3.82 0.00 0.00 -0.57 0.00 0.00 31.44 27.15 3mjk n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3mjk n ILE 50 N -0.98 -5.00 -1.88 -3.67 2.08 0.71 -5.01 119.36 105.62 3mjk n ILE 50 Ca 0.03 1.81 -0.39 0.00 0.56 0.00 0.00 62.75 64.76 3mjk n ILE 50 Cb 0.39 -2.88 0.03 0.00 -0.75 0.00 0.00 39.64 36.43 3mjk n ILE 50 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3mjk n SER 87 N 0.34 7.47 -4.73 4.38 3.41 -1.26 -4.85 113.62 118.38 3mjk n SER 87 Ca 0.00 -3.79 -0.42 0.00 -0.26 0.00 0.00 58.87 54.40 3mjk n SER 87 Cb 0.00 -1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 62.84 3mjk n SER 87 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3mjk s ILE 88 N -4.88 3.41 0.52 -1.33 1.09 -1.26 -4.99 121.20 113.76 3mjk s ILE 88 Ca 0.53 1.10 -0.20 0.00 -1.10 0.00 0.00 60.65 60.98 3mjk s ILE 88 Cb 0.44 -3.71 -0.09 0.00 -1.06 0.00 0.00 42.46 38.04 3mjk s ILE 88 CO -0.40 0.14 0.66 1.21 -0.10 0.00 0.00 174.94 176.45 3mjk n GLU 89 N 3.09 0.71 -3.31 2.79 2.13 -1.26 -4.97 120.64 119.81 3mjk n GLU 89 Ca 0.07 0.27 -0.38 0.00 0.66 0.00 0.00 57.16 57.78 3mjk n GLU 89 Cb 0.43 -1.77 -0.06 0.00 0.27 0.00 0.00 31.44 30.31 3mjk n GLU 89 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3mjk s GLU 90 N -2.05 4.15 0.22 5.31 2.12 -1.26 -5.03 118.70 122.16 3mjk s GLU 90 Ca 0.68 0.68 -0.30 0.00 0.36 0.00 0.00 54.97 56.38 3mjk s GLU 90 Cb -0.49 -3.22 -0.09 0.00 0.26 0.00 0.00 34.13 30.59 3mjk s GLU 90 CO 0.54 0.64 1.35 0.00 -0.54 0.00 0.00 175.26 177.26 3mjk s ALA 91 N -1.13 3.56 -0.18 6.30 0.00 -1.26 -5.00 121.76 124.06 3mjk s ALA 91 Ca 0.29 1.19 -0.10 0.00 0.00 0.00 0.00 51.96 53.33 3mjk s ALA 91 Cb -0.19 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 3mjk s ALA 91 CO 0.18 -0.61 0.17 0.08 0.00 0.00 0.00 175.76 175.58 3mjk s VAL 92 N 0.01 5.40 0.38 0.00 1.01 -1.26 -4.93 120.40 121.00 3mjk s VAL 92 Ca 0.57 0.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.56 3mjk s VAL 92 Cb -0.38 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 3mjk s VAL 92 CO 0.40 0.45 1.23 -2.16 0.00 0.00 0.00 175.10 175.03 3mjk s PRO 93 N 0.18 4.14 -0.61 2.72 0.04 -1.26 -4.96 135.00 135.25 3mjk s PRO 93 Ca 0.11 2.00 -0.22 0.00 0.04 0.00 0.00 61.00 62.93 3mjk s PRO 93 Cb -0.12 -2.82 0.07 0.00 0.04 0.00 0.00 34.50 31.67 3mjk s PRO 93 CO 0.00 -0.30 0.87 0.00 0.04 0.00 0.00 177.00 177.62 3mjk s ALA 94 N -1.29 3.21 0.48 8.56 0.00 -1.26 -5.03 121.76 126.43 3mjk s ALA 94 Ca 0.54 -1.82 -0.23 0.00 0.00 0.00 0.00 51.96 50.45 3mjk s ALA 94 Cb -0.35 -3.72 -0.07 0.00 0.00 0.00 0.00 23.12 18.99 3mjk s ALA 94 CO 0.45 -2.55 1.28 0.08 0.00 0.00 0.00 175.76 175.02 3mjk s VAL 95 N 3.61 2.55 0.08 0.00 1.01 -1.26 -1.93 120.40 124.46 3mjk s VAL 95 Ca 0.20 0.44 -0.31 0.00 0.00 0.00 0.00 61.98 62.31 3mjk s VAL 95 Cb -0.18 -3.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 3mjk s VAL 95 CO 0.11 0.02 1.54 0.00 0.00 0.00 0.00 175.10 176.76 3mjk n LYS 97 N 4.98 -2.20 -2.58 0.00 2.85 -0.54 -4.89 118.16 115.77 3mjk n LYS 97 Ca 0.14 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.97 3mjk n LYS 97 Cb 0.41 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.77 3mjk n LYS 97 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3mjk s THR 98 N -2.56 4.45 0.04 0.58 2.01 -1.26 -0.05 115.64 118.85 3mjk s THR 98 Ca 0.00 1.69 0.02 0.00 0.31 0.00 0.00 61.69 63.71 3mjk s THR 98 Cb 0.00 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 3mjk s THR 98 CO 0.00 -0.38 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.35 3mjk s ARG 99 N 3.64 0.53 0.05 4.92 0.52 -0.49 -4.92 118.95 123.20 3mjk s ARG 99 Ca 0.48 -0.80 -0.28 0.00 -0.52 0.00 0.00 55.73 54.61 3mjk s ARG 99 Cb -0.15 -0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.06 3mjk s ARG 99 CO 0.15 0.03 0.90 0.95 0.02 0.00 0.00 175.30 177.34 3mjk s THR 100 N -1.65 4.70 0.37 0.02 -4.23 -1.26 -0.90 115.64 112.69 3mjk s THR 100 Ca -0.08 1.91 0.04 0.00 -1.18 0.00 0.00 61.69 62.38 3mjk s THR 100 Cb -0.08 -4.25 -0.05 0.00 1.34 0.00 0.00 72.50 69.45 3mjk s THR 100 CO -0.00 0.28 0.06 0.68 -0.54 0.00 0.00 174.62 175.09 3mjk s VAL 101 N 0.33 1.20 -0.20 2.29 -7.23 0.18 -4.91 120.40 112.06 3mjk s VAL 101 Ca 0.46 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.52 3mjk s VAL 101 Cb -0.22 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 3mjk s VAL 101 CO 0.27 0.00 0.15 -0.63 -0.31 0.00 0.00 175.10 174.57 3mjk s ILE 102 N -3.16 5.40 -0.19 -0.62 -1.09 -1.26 -1.58 121.20 118.69 3mjk s ILE 102 Ca 0.31 0.22 -0.02 0.00 -2.23 0.00 0.00 60.65 58.94 3mjk s ILE 102 Cb 0.07 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 3mjk s ILE 102 CO 0.15 0.44 -0.11 -0.47 -1.23 0.00 0.00 174.94 173.71 3mjk s TYR 103 N 0.35 2.87 -0.14 3.97 5.04 -0.13 -4.98 117.35 124.34 3mjk s TYR 103 Ca 0.09 -1.15 -0.21 0.00 -2.44 0.00 0.00 57.07 53.35 3mjk s TYR 103 Cb -0.11 -2.00 -0.03 0.00 0.35 0.00 0.00 41.96 40.17 3mjk s TYR 103 CO -0.01 -0.60 0.63 -1.21 -1.34 0.00 0.00 175.55 173.02 3mjk s GLU 104 N 1.25 4.31 0.00 4.97 2.02 -1.26 -1.06 118.70 128.94 3mjk s GLU 104 Ca 0.03 0.69 -0.31 0.00 0.02 0.00 0.00 54.97 55.40 3mjk s GLU 104 Cb -0.14 -3.51 -0.10 0.00 0.10 0.00 0.00 34.13 30.48 3mjk s GLU 104 CO -0.05 -0.08 1.96 -0.89 0.02 0.00 0.00 175.26 176.22 3mjk n ILE 105 N 4.23 0.73 -1.78 -1.63 2.08 -0.53 -4.87 119.36 117.58 3mjk n ILE 105 Ca -0.02 -0.14 -0.42 0.00 0.56 0.00 0.00 62.75 62.74 3mjk n ILE 105 Cb 0.50 -2.23 -0.02 0.00 -0.75 0.00 0.00 39.64 37.15 3mjk n ILE 105 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 3mjk s PRO 106 N 4.43 4.13 0.37 0.38 0.02 -1.26 -4.88 135.00 138.18 3mjk s PRO 106 Ca 0.90 2.57 0.07 0.00 0.02 0.00 0.00 61.00 64.56 3mjk s PRO 106 Cb -0.49 -3.03 0.72 0.00 0.02 0.00 0.00 34.50 31.71 3mjk s PRO 106 CO 0.44 -0.63 1.91 -0.09 -0.33 0.00 0.00 177.00 178.30 3mjk h ARG 107 N 5.01 0.38 0.00 5.54 2.43 -1.96 -2.44 114.38 123.34 3mjk h ARG 107 Ca -0.47 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 58.56 3mjk h ARG 107 Cb 1.22 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3mjk h ARG 107 CO 0.81 0.45 -0.29 0.66 -1.51 0.00 0.00 179.97 180.09 3mjk h SER 108 N 0.37 0.00 0.83 -3.80 4.64 -1.90 -2.89 113.55 110.80 3mjk h SER 108 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3mjk h SER 108 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3mjk h SER 108 CO 0.01 0.29 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 3mjk n GLN 109 N -3.49 0.15 -0.08 4.77 6.02 -0.92 -3.60 117.38 120.22 3mjk n GLN 109 Ca -0.00 0.32 -0.10 0.00 -0.01 0.00 0.00 57.00 57.21 3mjk n GLN 109 Cb 0.45 -1.75 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 3mjk n GLN 109 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3mjk n VAL 110 N -2.03 1.46 -3.29 5.09 0.31 -1.10 -4.88 118.33 113.89 3mjk n VAL 110 Ca 0.03 0.12 -0.08 0.00 -0.01 0.00 0.00 64.34 64.40 3mjk n VAL 110 Cb 0.26 -2.23 -0.05 0.00 -0.91 0.00 0.00 33.84 30.90 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 -6.04 0.23 0.00 4.52 2.15 -1.13 -5.00 116.67 111.40 3mjk s ASP 111 Ca -0.27 -0.44 0.12 0.00 0.43 0.00 0.00 52.55 52.39 3mjk s ASP 111 Cb 0.04 1.16 0.69 0.00 -0.30 0.00 0.00 42.92 44.52 3mjk s ASP 111 CO 0.39 -0.34 1.11 -0.81 -0.17 0.00 0.00 175.17 175.36 3mjk n PRO 112 N 5.25 0.40 0.00 4.34 -0.04 -1.24 -4.32 135.00 139.40 3mjk n PRO 112 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3mjk n PRO 112 Cb 0.50 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3mjk n PRO 112 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3mjk n THR 113 N -0.95 0.00 -1.40 0.52 -1.04 -1.26 -5.00 114.28 105.15 3mjk n THR 113 Ca 0.09 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.78 3mjk n THR 113 Cb 0.04 -0.03 0.08 0.00 -1.82 0.00 0.00 70.33 68.60 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 -1.00 4.73 -0.01 8.00 0.15 -1.26 -4.99 113.70 119.32 3mjk s SER 114 Ca 0.00 1.84 0.14 0.00 0.70 0.00 0.00 55.95 58.64 3mjk s SER 114 Cb 0.00 -2.53 -0.18 0.00 -1.71 0.00 0.00 66.02 61.61 3mjk s SER 114 CO 0.00 -1.88 0.52 0.00 1.20 0.00 0.00 173.24 173.08 3mjk n ALA 115 N -3.23 3.48 -1.91 5.45 0.00 -1.26 -4.68 120.51 118.35 3mjk n ALA 115 Ca 0.09 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.78 3mjk n ALA 115 Cb 0.53 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 3mjk n ALA 115 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mjk n ASN 116 N -1.54 7.44 -3.92 0.00 5.03 -1.26 -4.91 115.26 116.10 3mjk n ASN 116 Ca 0.01 -3.27 -0.09 0.00 0.87 0.00 0.00 54.58 52.10 3mjk n ASN 116 Cb 0.27 -1.28 -0.09 0.00 -1.02 0.00 0.00 39.78 37.66 3mjk n ASN 116 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 3mjk s PHE 117 N -1.91 0.22 0.08 3.10 -0.12 -1.26 -4.52 117.98 113.57 3mjk s PHE 117 Ca 0.54 -0.58 0.10 0.00 -0.05 0.00 0.00 56.93 56.93 3mjk s PHE 117 Cb 0.26 -0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 3mjk s PHE 117 CO -0.16 -0.43 -0.25 -1.17 -0.05 0.00 0.00 175.22 173.16 3mjk s LEU 118 N -2.45 2.29 -0.02 -1.99 0.20 0.11 -4.93 118.68 111.89 3mjk s LEU 118 Ca -0.00 -0.62 0.04 0.00 0.69 0.00 0.00 54.13 54.24 3mjk s LEU 118 Cb 0.02 -1.30 -0.03 0.00 -0.43 0.00 0.00 46.19 44.45 3mjk s LEU 118 CO -0.07 0.23 -0.13 0.27 -0.29 0.00 0.00 176.35 176.35 3mjk s ILE 119 N -0.92 3.15 -0.12 6.68 -0.00 -1.26 0.71 121.20 129.44 3mjk s ILE 119 Ca 0.13 -0.83 -0.06 0.00 -0.00 0.00 0.00 60.65 59.88 3mjk s ILE 119 Cb -0.10 -2.29 0.05 0.00 -0.00 0.00 0.00 42.46 40.12 3mjk s ILE 119 CO 0.04 0.49 0.29 0.86 -0.00 0.00 0.00 174.94 176.62 3mjk s TRP 120 N -0.84 -0.40 0.38 1.37 -0.00 0.00 -3.55 118.94 115.91 3mjk s TRP 120 Ca 0.13 0.92 -0.24 0.00 -0.00 0.00 0.00 56.10 56.92 3mjk s TRP 120 Cb -0.11 0.11 -0.10 0.00 -0.00 0.00 0.00 33.47 33.37 3mjk s TRP 120 CO 0.03 -0.26 1.00 -1.25 -0.00 0.00 0.00 176.95 176.47 3mjk s PRO 121 N 1.30 4.29 0.50 5.86 0.04 -1.26 0.16 135.00 145.89 3mjk s PRO 121 Ca -0.09 1.40 0.30 0.00 0.04 0.00 0.00 61.00 62.64 3mjk s PRO 121 Cb -0.10 -2.55 1.02 0.00 0.04 0.00 0.00 34.50 32.90 3mjk s PRO 121 CO -0.10 -0.01 1.85 -1.00 0.04 0.00 0.00 177.00 177.78 3mjk h PRO 122 N 2.58 0.00 -3.26 0.56 0.13 -1.97 -3.45 132.00 126.59 3mjk h PRO 122 Ca -0.48 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 3mjk h PRO 122 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 3mjk h PRO 122 CO 0.63 0.00 -0.37 0.00 -0.23 0.00 0.00 178.00 178.02 3mjk s VAL 124 N -1.37 0.31 0.21 0.00 -7.23 -0.22 -4.96 120.40 107.13 3mjk s VAL 124 Ca -0.14 -1.73 -0.28 0.00 -1.81 0.00 0.00 61.98 58.02 3mjk s VAL 124 Cb -0.06 -1.41 -0.09 0.00 0.56 0.00 0.00 36.38 35.38 3mjk s VAL 124 CO 0.03 -0.91 0.87 -1.61 -0.31 0.00 0.00 175.10 173.17 3mjk s GLU 125 N -3.61 4.72 0.01 4.82 2.02 -1.26 -0.95 118.70 124.44 3mjk s GLU 125 Ca 0.05 1.34 -0.09 0.00 0.02 0.00 0.00 54.97 56.30 3mjk s GLU 125 Cb 0.05 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 31.04 3mjk s GLU 125 CO -0.08 0.53 0.17 0.14 0.02 0.00 0.00 175.26 176.04 3mjk s VAL 126 N -1.20 0.09 -0.04 2.63 -7.23 -0.61 -4.93 120.40 109.11 3mjk s VAL 126 Ca 0.39 -0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 59.69 3mjk s VAL 126 Cb -0.24 -0.57 -0.05 0.00 0.56 0.00 0.00 36.38 36.07 3mjk s VAL 126 CO 0.29 -0.40 0.40 -0.54 -0.31 0.00 0.00 175.10 174.54 3mjk s LYS 127 N -1.66 4.00 0.06 4.82 -0.14 -1.26 0.47 119.74 126.03 3mjk s LYS 127 Ca -0.12 0.37 -0.01 0.00 -1.36 0.00 0.00 55.97 54.84 3mjk s LYS 127 Cb -0.06 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.78 3mjk s LYS 127 CO 0.01 0.57 -0.01 1.03 -0.76 0.00 0.00 175.35 176.19 3mjk s ARG 128 N -0.66 0.67 -0.17 1.68 1.81 -0.08 -0.87 118.95 121.33 3mjk s ARG 128 Ca 0.23 -1.25 -0.28 0.00 -1.72 0.00 0.00 55.73 52.71 3mjk s ARG 128 Cb -0.16 0.22 -0.00 0.00 -0.45 0.00 0.00 34.95 34.56 3mjk s ARG 128 CO 0.12 -0.14 0.98 0.00 -0.68 0.00 0.00 175.30 175.58 3mjk s THR 130 N 2.55 0.60 0.00 0.00 -4.23 0.93 -4.91 115.64 110.57 3mjk s THR 130 Ca 0.44 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3mjk s THR 130 Cb -0.17 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.49 3mjk s THR 130 CO 0.12 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3mjk n GLY 131 N -0.25 -1.21 3.29 3.99 0.00 -1.26 -1.47 105.19 108.27 3mjk n GLY 131 Ca -0.05 -2.23 -0.16 0.00 0.00 0.00 0.00 46.02 43.58 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 1.19 0.74 -2.97 0.00 2.35 -1.87 -3.43 115.58 111.60 3mjk h ASN 134 Ca -0.44 0.07 -0.64 0.00 -0.55 0.00 0.00 56.30 54.75 3mjk h ASN 134 Cb 1.26 -0.06 -0.17 0.00 0.05 0.00 0.00 38.32 39.39 3mjk h ASN 134 CO 0.58 0.31 -0.79 0.42 -1.65 0.00 0.00 177.43 176.30 3mjk s THR 135 N -5.79 2.56 -0.79 2.81 -4.23 -1.26 -4.97 115.64 103.96 3mjk s THR 135 Ca -0.11 -2.03 0.14 0.00 -1.18 0.00 0.00 61.69 58.52 3mjk s THR 135 Cb 0.24 -2.26 0.13 0.00 1.34 0.00 0.00 72.50 71.95 3mjk s THR 135 CO 0.80 -0.17 1.44 -0.24 -0.54 0.00 0.00 174.62 175.91 3mjk n SER 136 N 0.04 0.22 -0.01 3.99 2.88 -1.26 -2.18 113.62 117.29 3mjk n SER 136 Ca -0.11 0.57 0.13 0.00 -1.33 0.00 0.00 58.87 58.13 3mjk n SER 136 Cb 0.57 -0.61 0.50 0.00 -0.75 0.00 0.00 64.21 63.92 3mjk n SER 136 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3mjk n SER 137 N -1.75 0.21 -4.03 -3.46 3.41 -1.26 -4.74 113.62 101.99 3mjk n SER 137 Ca 0.02 0.13 -0.26 0.00 -0.26 0.00 0.00 58.87 58.50 3mjk n SER 137 Cb 0.13 -0.21 -0.17 0.00 -0.26 0.00 0.00 64.21 63.71 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 -2.94 1.24 0.05 -3.33 1.01 -0.93 -4.05 120.40 111.46 3mjk s VAL 138 Ca 0.15 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3mjk s VAL 138 Cb 0.19 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3mjk s VAL 138 CO 0.58 0.38 0.10 -0.54 0.00 0.00 0.00 175.10 175.62 3mjk s LYS 139 N 0.80 3.02 -0.54 2.72 3.01 -1.12 -4.26 119.74 123.37 3mjk s LYS 139 Ca -0.12 -0.59 -0.28 0.00 -1.01 0.00 0.00 55.97 53.98 3mjk s LYS 139 Cb -0.15 -2.82 0.01 0.00 -1.01 0.00 0.00 37.83 33.86 3mjk s LYS 139 CO 0.02 0.60 1.44 0.00 0.51 0.00 0.00 175.35 177.92 3mjk s GLN 141 N 5.51 1.73 0.20 0.00 -1.52 0.40 -4.88 119.66 121.09 3mjk s GLN 141 Ca 0.55 -1.54 -0.12 0.00 -1.95 0.00 0.00 55.36 52.29 3mjk s GLN 141 Cb -0.12 -1.91 -0.07 0.00 -0.22 0.00 0.00 33.01 30.70 3mjk s GLN 141 CO 0.26 0.38 0.56 -1.25 -0.25 0.00 0.00 175.29 175.00 3mjk s PRO 142 N -3.03 3.90 0.00 2.91 0.04 -1.26 -0.01 135.00 137.55 3mjk s PRO 142 Ca 0.25 0.40 0.09 0.00 0.04 0.00 0.00 61.00 61.78 3mjk s PRO 142 Cb -0.07 -2.76 0.02 0.00 0.04 0.00 0.00 34.50 31.73 3mjk s PRO 142 CO 0.13 0.38 0.66 -1.13 0.04 0.00 0.00 177.00 177.07 3mjk n SER 143 N 0.27 1.35 -3.54 6.66 3.41 0.17 -4.85 113.62 117.09 3mjk n SER 143 Ca -0.02 -1.17 -0.09 0.00 -0.26 0.00 0.00 58.87 57.33 3mjk n SER 143 Cb 0.52 0.30 -0.09 0.00 -0.26 0.00 0.00 64.21 64.69 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 -1.07 0.33 0.12 4.33 0.52 -1.21 -4.91 118.95 117.05 3mjk s ARG 144 Ca 0.08 0.84 0.09 0.00 -0.52 0.00 0.00 55.73 56.22 3mjk s ARG 144 Cb 0.07 0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.53 3mjk s ARG 144 CO 0.18 -0.40 -0.21 0.14 0.02 0.00 0.00 175.30 175.03 3mjk s VAL 145 N 2.59 1.79 -0.08 3.52 -7.23 -1.26 0.70 120.40 120.43 3mjk s VAL 145 Ca 0.04 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 3mjk s VAL 145 Cb -0.13 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.15 3mjk s VAL 145 CO -0.14 -0.11 -0.19 -2.28 -0.31 0.00 0.00 175.10 172.08 3mjk s HIS 146 N -1.36 2.07 0.03 2.82 5.04 0.63 -4.94 115.29 119.58 3mjk s HIS 146 Ca 0.09 -0.81 0.05 0.00 -1.54 0.00 0.00 55.06 52.85 3mjk s HIS 146 Cb -0.09 -1.42 -0.03 0.00 0.04 0.00 0.00 32.58 31.07 3mjk s HIS 146 CO 0.05 -0.35 -0.09 -1.01 -2.34 0.00 0.00 174.74 171.00 3mjk s HIS 147 N 0.45 2.80 0.16 3.88 3.76 -1.26 -1.28 115.29 123.79 3mjk s HIS 147 Ca -0.16 -0.10 -0.24 0.00 -0.15 0.00 0.00 55.06 54.40 3mjk s HIS 147 Cb -0.17 -1.55 0.06 0.00 1.11 0.00 0.00 32.58 32.03 3mjk s HIS 147 CO 0.06 0.36 0.79 -0.98 -0.85 0.00 0.00 174.74 174.12 3mjk s ARG 148 N -1.57 1.31 0.18 1.40 1.70 -1.05 -5.00 118.95 115.91 3mjk s ARG 148 Ca 0.18 -0.64 0.06 0.00 -0.47 0.00 0.00 55.73 54.86 3mjk s ARG 148 Cb -0.11 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 3mjk s ARG 148 CO 0.08 -0.59 0.07 -1.12 -1.08 0.00 0.00 175.30 172.67 3mjk s SER 149 N -2.80 5.15 0.03 -2.89 0.01 -1.26 -1.22 113.70 110.72 3mjk s SER 149 Ca 0.08 -0.27 -0.14 0.00 1.31 0.00 0.00 55.95 56.92 3mjk s SER 149 Cb -0.03 -1.23 0.02 0.00 0.21 0.00 0.00 66.02 65.00 3mjk s SER 149 CO -0.02 0.07 0.31 0.68 0.41 0.00 0.00 173.24 174.69 3mjk s VAL 150 N -1.78 0.08 -0.01 3.43 -7.23 0.29 -4.97 120.40 110.21 3mjk s VAL 150 Ca 0.29 -0.63 -0.01 0.00 -1.81 0.00 0.00 61.98 59.83 3mjk s VAL 150 Cb -0.09 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 3mjk s VAL 150 CO 0.21 -0.35 0.09 -1.59 -0.31 0.00 0.00 175.10 173.15 3mjk s LYS 151 N -2.33 3.08 0.25 4.82 -2.85 -1.26 0.69 119.74 122.14 3mjk s LYS 151 Ca -0.06 -0.48 0.04 0.00 -1.00 0.00 0.00 55.97 54.47 3mjk s LYS 151 Cb -0.02 -2.87 -0.05 0.00 -2.06 0.00 0.00 37.83 32.83 3mjk s LYS 151 CO -0.02 0.65 -0.02 0.14 0.10 0.00 0.00 175.35 176.20 3mjk s VAL 152 N -1.20 1.24 -0.21 1.79 -7.23 -0.04 -4.90 120.40 109.84 3mjk s VAL 152 Ca 0.23 -2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 58.23 3mjk s VAL 152 Cb -0.12 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 3mjk s VAL 152 CO 0.14 -0.29 0.20 0.00 -0.31 0.00 0.00 175.10 174.84 3mjk s ALA 153 N -3.28 3.62 -0.30 1.32 0.00 0.42 -0.89 121.76 122.65 3mjk s ALA 153 Ca 0.29 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 3mjk s ALA 153 Cb 0.05 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 3mjk s ALA 153 CO 0.10 -0.06 0.13 0.21 0.00 0.00 0.00 175.76 176.15 3mjk s LYS 154 N 0.79 3.37 -0.19 0.00 2.20 -0.58 -0.81 119.74 124.51 3mjk s LYS 154 Ca 0.11 -0.69 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 3mjk s LYS 154 Cb -0.13 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 3mjk s LYS 154 CO 0.03 -0.38 -0.11 0.08 -0.36 0.00 0.00 175.35 174.60 3mjk s VAL 155 N 1.61 2.83 0.41 4.02 1.01 0.22 -1.61 120.40 128.88 3mjk s VAL 155 Ca 0.05 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.39 3mjk s VAL 155 Cb -0.17 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3mjk s VAL 155 CO 0.06 0.48 0.19 -1.83 0.00 0.00 0.00 175.10 173.99 3mjk s GLU 156 N 1.28 1.96 -0.38 2.72 -1.05 -0.52 0.06 118.70 122.77 3mjk s GLU 156 Ca 0.03 -2.20 0.02 0.00 -0.15 0.00 0.00 54.97 52.68 3mjk s GLU 156 Cb -0.14 -0.33 0.16 0.00 -0.44 0.00 0.00 34.13 33.37 3mjk s GLU 156 CO -0.06 -0.58 0.28 0.71 0.95 0.00 0.00 175.26 176.56 3mjk s TYR 157 N -3.22 0.90 -0.29 4.83 1.51 -1.26 0.90 117.35 120.73 3mjk s TYR 157 Ca 0.26 -1.98 -0.27 0.00 -1.01 0.00 0.00 57.07 54.08 3mjk s TYR 157 Cb 0.01 -0.91 0.01 0.00 -0.11 0.00 0.00 41.96 40.96 3mjk s TYR 157 CO 0.19 -0.83 0.95 0.54 -1.11 0.00 0.00 175.55 175.28 3mjk s VAL 158 N 0.56 4.67 -0.46 0.71 0.11 -1.26 -4.12 120.40 120.62 3mjk s VAL 158 Ca 0.26 1.60 -0.01 0.00 -2.93 0.00 0.00 61.98 60.89 3mjk s VAL 158 Cb -0.09 -4.27 -0.01 0.00 -1.53 0.00 0.00 36.38 30.47 3mjk s VAL 158 CO -0.10 -0.30 0.39 -1.14 -3.33 0.00 0.00 175.10 170.63 3mjk n ARG 159 N 6.44 -1.78 -0.19 1.54 3.00 -1.26 -3.81 116.66 120.61 3mjk n ARG 159 Ca 0.09 0.35 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 3mjk n ARG 159 Cb 0.47 -3.56 0.00 0.00 0.00 0.00 0.00 32.46 29.37 3mjk n ARG 159 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3mjk n LYS 160 N -2.24 -0.18 -3.62 -0.14 4.01 -1.26 -4.83 118.16 109.90 3mjk n LYS 160 Ca -0.07 0.02 -0.38 0.00 -0.51 0.00 0.00 58.31 57.37 3mjk n LYS 160 Cb 0.56 -2.32 -0.11 0.00 -0.51 0.00 0.00 35.03 32.65 3mjk n LYS 160 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3mjk s LYS 161 N -0.38 3.88 0.21 1.97 -0.14 -1.25 -5.05 119.74 118.99 3mjk s LYS 161 Ca 0.00 -0.36 -0.32 0.00 -1.36 0.00 0.00 55.97 53.93 3mjk s LYS 161 Cb 0.00 -3.59 -0.14 0.00 -1.68 0.00 0.00 37.83 32.41 3mjk s LYS 161 CO 0.00 -0.19 1.30 -2.30 -0.76 0.00 0.00 175.35 173.40 3mjk n PRO 162 N 5.03 1.66 -4.71 -1.68 -0.02 -1.26 -4.00 135.00 130.03 3mjk n PRO 162 Ca -0.14 0.59 -0.29 0.00 -2.02 0.00 0.00 63.50 61.64 3mjk n PRO 162 Cb 0.52 -2.18 -0.14 0.00 -0.02 0.00 0.00 33.50 31.68 3mjk n PRO 162 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3mjk s LYS 163 N -0.41 1.60 -0.17 -0.52 2.20 0.26 -4.97 119.74 117.74 3mjk s LYS 163 Ca 0.70 -1.15 -0.24 0.00 -0.36 0.00 0.00 55.97 54.93 3mjk s LYS 163 Cb -0.74 -1.86 0.06 0.00 -1.51 0.00 0.00 37.83 33.79 3mjk s LYS 163 CO 0.51 0.47 0.61 -1.17 -0.36 0.00 0.00 175.35 175.41 3mjk s LEU 164 N -1.47 -0.35 -0.09 5.43 0.20 -1.26 -1.44 118.68 119.69 3mjk s LEU 164 Ca 0.11 1.02 -0.07 0.00 0.69 0.00 0.00 54.13 55.88 3mjk s LEU 164 Cb -0.10 2.18 0.03 0.00 -0.43 0.00 0.00 46.19 47.87 3mjk s LEU 164 CO 0.03 -0.34 0.23 -1.59 -0.29 0.00 0.00 176.35 174.39 3mjk s LYS 165 N -0.22 0.23 -0.37 1.98 -2.85 -0.63 -4.95 119.74 112.93 3mjk s LYS 165 Ca -0.04 0.41 -0.29 0.00 -1.00 0.00 0.00 55.97 55.05 3mjk s LYS 165 Cb -0.03 0.01 0.01 0.00 -2.06 0.00 0.00 37.83 35.76 3mjk s LYS 165 CO 0.04 -0.09 1.25 -1.21 0.10 0.00 0.00 175.35 175.43 3mjk s GLU 166 N 0.66 3.81 -0.09 1.78 2.02 -1.26 -1.52 118.70 124.09 3mjk s GLU 166 Ca -0.04 0.98 -0.04 0.00 0.02 0.00 0.00 54.97 55.88 3mjk s GLU 166 Cb -0.06 -3.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 3mjk s GLU 166 CO -0.04 -1.26 0.08 0.08 0.02 0.00 0.00 175.26 174.14 3mjk s VAL 167 N 4.54 4.96 -0.10 2.63 1.01 -0.07 -4.89 120.40 128.48 3mjk s VAL 167 Ca 0.54 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.28 3mjk s VAL 167 Cb -0.13 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3mjk s VAL 167 CO 0.26 0.59 0.57 -1.58 0.00 0.00 0.00 175.10 174.94 3mjk s GLN 168 N -1.04 4.37 0.08 2.72 0.74 -1.26 -0.86 119.66 124.40 3mjk s GLN 168 Ca 0.15 0.62 0.09 0.00 0.05 0.00 0.00 55.36 56.27 3mjk s GLN 168 Cb -0.12 -3.45 -0.03 0.00 1.10 0.00 0.00 33.01 30.51 3mjk s GLN 168 CO 0.04 0.09 -0.23 0.08 -0.55 0.00 0.00 175.29 174.72 3mjk s VAL 169 N 0.78 1.92 -0.03 1.34 1.01 0.22 -4.94 120.40 120.68 3mjk s VAL 169 Ca 0.30 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 3mjk s VAL 169 Cb -0.16 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 3mjk s VAL 169 CO 0.13 0.15 0.32 -0.13 0.00 0.00 0.00 175.10 175.57 3mjk s ARG 170 N -1.58 3.75 0.01 2.72 0.52 -1.26 -0.55 118.95 122.55 3mjk s ARG 170 Ca 0.10 0.21 0.05 0.00 -0.52 0.00 0.00 55.73 55.56 3mjk s ARG 170 Cb -0.10 -3.20 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 3mjk s ARG 170 CO 0.03 0.71 -0.14 -0.51 0.02 0.00 0.00 175.30 175.42 3mjk s LEU 171 N -1.12 2.07 -0.10 2.53 1.43 -0.36 -4.99 118.68 118.15 3mjk s LEU 171 Ca 0.21 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3mjk s LEU 171 Cb -0.15 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 3mjk s LEU 171 CO 0.11 0.13 -0.07 -0.70 0.23 0.00 0.00 176.35 176.04 3mjk s GLU 172 N -0.59 3.10 0.02 1.70 2.12 -1.26 -2.53 118.70 121.25 3mjk s GLU 172 Ca 0.04 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 54.82 3mjk s GLU 172 Cb -0.06 -2.68 -0.01 0.00 0.26 0.00 0.00 34.13 31.64 3mjk s GLU 172 CO 0.00 0.47 -0.07 -1.21 -0.54 0.00 0.00 175.26 173.91 3mjk s GLU 173 N -0.29 0.48 0.04 4.30 2.02 -0.41 -4.67 118.70 120.17 3mjk s GLU 173 Ca 0.04 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.53 3mjk s GLU 173 Cb -0.13 -0.34 -0.04 0.00 0.10 0.00 0.00 34.13 33.72 3mjk s GLU 173 CO 0.02 0.08 0.14 -1.01 0.02 0.00 0.00 175.26 174.51 3mjk s HIS 174 N -0.81 3.37 -0.02 1.61 3.76 -0.05 -0.27 115.29 122.88 3mjk s HIS 174 Ca -0.05 0.21 0.03 0.00 -0.15 0.00 0.00 55.06 55.11 3mjk s HIS 174 Cb -0.06 -1.73 -0.05 0.00 1.11 0.00 0.00 32.58 31.85 3mjk s HIS 174 CO 0.00 0.57 0.04 1.28 -0.85 0.00 0.00 174.74 175.78 3mjk n LEU 175 N 0.68 0.00 -3.91 0.89 4.77 0.22 -4.65 117.00 115.01 3mjk n LEU 175 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.78 3mjk n LEU 175 Cb 0.52 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 3mjk n LEU 175 CO 0.45 0.05 -0.23 -1.61 -1.33 0.00 0.00 177.39 174.72 3mjk s GLU 176 N -2.16 0.43 0.08 3.23 2.02 -1.18 -4.95 118.70 116.17 3mjk s GLU 176 Ca -0.02 -0.47 -0.00 0.00 0.02 0.00 0.00 54.97 54.50 3mjk s GLU 176 Cb 0.02 0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.38 3mjk s GLU 176 CO 0.15 -0.10 -0.03 0.00 0.02 0.00 0.00 175.26 175.30 3mjk s ALA 178 N -3.83 -1.56 -0.52 0.00 0.00 0.99 -4.80 121.76 112.03 3mjk s ALA 178 Ca 0.11 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 3mjk s ALA 178 Cb 0.07 0.69 0.07 0.00 0.00 0.00 0.00 23.12 23.95 3mjk s ALA 178 CO -0.06 -0.67 0.61 0.00 0.00 0.00 0.00 175.76 175.64 3mjk s ALA 180 N 2.50 2.12 0.06 0.00 0.00 -0.79 -4.88 121.76 120.76 3mjk s ALA 180 Ca 0.13 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 3mjk s ALA 180 Cb -0.21 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 3mjk s ALA 180 CO 0.10 0.19 0.98 -0.08 0.00 0.00 0.00 175.76 176.94 3mjk s THR 181 N 0.50 4.66 0.00 0.00 -1.32 -1.26 -2.81 115.64 115.40 3mjk s THR 181 Ca -0.15 2.04 0.00 0.00 -1.21 0.00 0.00 61.69 62.37 3mjk s THR 181 Cb -0.17 -4.31 0.00 0.00 -1.51 0.00 0.00 72.50 66.51 3mjk s THR 181 CO 0.06 0.23 0.00 1.07 -2.21 0.00 0.00 174.62 173.77