#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 3.49 0.01 0.00 2.56 -1.26 -5.07 118.70 118.43 3mjk s GLU 24 Ca 0.00 -0.60 -0.33 0.00 0.00 0.00 0.00 54.97 54.05 3mjk s GLU 24 Cb 0.00 -2.92 -0.11 0.00 2.00 0.00 0.00 34.13 33.10 3mjk s GLU 24 CO 0.00 0.03 1.86 -0.89 -0.56 0.00 0.00 175.26 175.70 3mjk n ILE 25 N 4.14 0.52 -1.69 -3.70 5.41 -1.26 -4.87 119.36 117.92 3mjk n ILE 25 Ca -0.18 -0.09 -0.45 0.00 1.00 0.00 0.00 62.75 63.03 3mjk n ILE 25 Cb 0.52 -1.98 -0.04 0.00 -0.71 0.00 0.00 39.64 37.43 3mjk n ILE 25 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3mjk n PRO 26 N 6.30 2.35 0.28 0.38 -0.02 -1.26 -4.83 135.00 138.19 3mjk n PRO 26 Ca 0.21 0.85 0.11 0.00 -2.02 0.00 0.00 63.50 62.65 3mjk n PRO 26 Cb 0.33 -2.64 0.61 0.00 -0.02 0.00 0.00 33.50 31.78 3mjk n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mjk h ARG 27 N 6.15 0.00 0.02 -0.52 3.08 -2.00 0.14 114.38 121.25 3mjk h ARG 27 Ca -0.44 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 3mjk h ARG 27 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3mjk h ARG 27 CO 0.91 0.00 -0.01 0.93 -1.07 0.00 0.00 179.97 180.73 3mjk h GLU 28 N 0.00 -0.03 0.26 0.04 3.07 -1.99 -2.72 114.58 113.20 3mjk h GLU 28 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3mjk h GLU 28 Cb 0.73 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.62 3mjk h GLU 28 CO 0.00 0.64 -0.39 0.28 -1.40 0.00 0.00 179.01 178.14 3mjk h VAL 29 N -0.75 0.21 -0.91 3.13 2.07 -1.10 0.19 116.25 119.09 3mjk h VAL 29 Ca -0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.77 3mjk h VAL 29 Cb 0.68 0.21 -0.15 0.00 -1.52 0.00 0.00 31.29 30.52 3mjk h VAL 29 CO 0.01 0.00 0.30 0.40 0.02 0.00 0.00 177.57 178.29 3mjk h ILE 30 N -0.71 0.29 -0.28 4.57 2.04 -1.53 0.76 117.51 122.64 3mjk h ILE 30 Ca -0.00 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 3mjk h ILE 30 Cb 0.68 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3mjk h ILE 30 CO -0.14 0.04 -0.15 -0.33 0.00 0.00 0.00 178.15 177.57 3mjk h GLU 31 N 0.22 0.60 -0.54 2.37 5.08 -0.92 -2.09 114.58 119.30 3mjk h GLU 31 Ca 0.60 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 3mjk h GLU 31 Cb 1.26 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 3mjk h GLU 31 CO -0.66 0.85 0.23 -0.09 -1.00 0.00 0.00 179.01 178.34 3mjk h ARG 32 N 0.34 0.77 -0.18 2.33 2.43 0.25 -1.83 114.38 118.50 3mjk h ARG 32 Ca 0.06 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 3mjk h ARG 32 Cb 0.67 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3mjk h ARG 32 CO 0.04 0.62 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.75 3mjk h LEU 33 N 0.77 0.35 -0.54 3.80 3.38 0.56 -2.96 115.31 120.66 3mjk h LEU 33 Ca 0.19 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 3mjk h LEU 33 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3mjk h LEU 33 CO -0.02 0.64 -0.52 0.00 0.09 0.00 0.00 178.44 178.63 3mjk h ALA 34 N 1.39 0.72 -0.84 1.53 0.00 -0.64 -3.12 119.26 118.30 3mjk h ALA 34 Ca 0.04 -0.50 -0.48 0.00 0.00 0.00 0.00 54.91 53.98 3mjk h ALA 34 Cb 0.68 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.13 3mjk h ALA 34 CO 0.05 0.68 0.61 2.89 0.00 0.00 0.00 179.25 183.48 3mjk n ARG 35 N -3.97 2.16 -4.46 0.00 1.85 -0.94 -4.79 116.66 106.52 3mjk n ARG 35 Ca -0.03 -2.61 -0.22 0.00 -1.00 0.00 0.00 57.85 53.99 3mjk n ARG 35 Cb 0.59 -2.02 -0.10 0.00 -1.05 0.00 0.00 32.46 29.87 3mjk n ARG 35 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3mjk s SER 36 N -1.02 2.42 -0.16 2.89 0.01 -1.13 -5.02 113.70 111.69 3mjk s SER 36 Ca 0.50 -1.41 -0.02 0.00 1.31 0.00 0.00 55.95 56.33 3mjk s SER 36 Cb 0.41 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.60 3mjk s SER 36 CO 0.06 -0.64 -0.07 -1.10 0.41 0.00 0.00 173.24 171.90 3mjk s GLN 37 N -3.88 3.53 -0.24 12.44 -0.21 -1.26 -4.95 119.66 125.09 3mjk s GLN 37 Ca 0.35 -0.59 -0.01 0.00 0.02 0.00 0.00 55.36 55.12 3mjk s GLN 37 Cb 0.08 -2.83 0.07 0.00 1.00 0.00 0.00 33.01 31.34 3mjk s GLN 37 CO 0.15 0.17 0.02 0.42 -2.12 0.00 0.00 175.29 173.93 3mjk s ILE 38 N 0.52 0.95 -0.05 1.08 1.01 -1.26 -4.99 121.20 118.46 3mjk s ILE 38 Ca -0.05 -1.00 0.13 0.00 0.00 0.00 0.00 60.65 59.73 3mjk s ILE 38 Cb -0.15 -1.45 -0.14 0.00 0.01 0.00 0.00 42.46 40.73 3mjk s ILE 38 CO 0.03 -0.30 1.01 0.45 0.00 0.00 0.00 174.94 176.13 3mjk h HIS 39 N 8.10 0.00 -2.33 3.97 3.86 -1.98 -3.49 115.15 123.29 3mjk h HIS 39 Ca -0.16 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.06 3mjk h HIS 39 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3mjk h HIS 39 CO 0.37 0.78 0.15 -1.13 0.86 0.00 0.00 177.93 178.96 3mjk n SER 40 N -3.11 -0.93 -0.06 2.45 3.41 -1.26 -4.90 113.62 109.23 3mjk n SER 40 Ca -0.07 -1.62 -0.13 0.00 -0.26 0.00 0.00 58.87 56.79 3mjk n SER 40 Cb 0.90 1.54 -0.07 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 1.42 1.34 -0.82 -1.33 1.08 -1.95 0.15 117.51 117.40 3mjk h ILE 41 Ca -0.14 -1.42 0.19 0.00 -0.39 0.00 0.00 64.86 63.11 3mjk h ILE 41 Cb 0.53 1.87 -0.05 0.00 -3.07 0.00 0.00 36.82 36.09 3mjk h ILE 41 CO 0.18 0.43 0.56 -0.09 -0.69 0.00 0.00 178.15 178.53 3mjk h ARG 42 N 0.09 0.29 0.12 2.37 2.43 -1.99 0.79 114.38 118.49 3mjk h ARG 42 Ca 0.02 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.90 3mjk h ARG 42 Cb 0.78 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3mjk h ARG 42 CO 0.05 0.20 -1.21 0.22 -1.51 0.00 0.00 179.97 177.72 3mjk h ASP 43 N 0.30 0.60 -0.69 -3.80 -0.00 -1.83 -2.60 116.42 108.41 3mjk h ASP 43 Ca 0.41 -0.58 -0.05 0.00 -0.00 0.00 0.00 57.03 56.81 3mjk h ASP 43 Cb 1.15 -0.19 -0.03 0.00 -0.00 0.00 0.00 39.33 40.26 3mjk h ASP 43 CO -0.12 1.43 0.24 0.25 -0.00 0.00 0.00 179.24 181.04 3mjk h LEU 44 N 0.16 1.01 0.05 2.28 6.46 0.32 0.34 115.31 125.92 3mjk h LEU 44 Ca -0.15 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.43 3mjk h LEU 44 Cb 1.90 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.56 3mjk h LEU 44 CO 0.21 0.93 -0.02 1.56 -0.62 0.00 0.00 178.44 180.50 3mjk h GLN 45 N 1.05 -0.06 -0.70 1.25 4.20 0.07 -1.84 115.11 119.08 3mjk h GLN 45 Ca 0.23 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.04 3mjk h GLN 45 Cb 0.27 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 3mjk h GLN 45 CO -0.01 0.25 0.46 -0.09 -0.67 0.00 0.00 178.83 178.78 3mjk h ARG 46 N -0.37 0.57 -0.23 1.46 2.43 -1.27 0.15 114.38 117.11 3mjk h ARG 46 Ca -0.01 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 3mjk h ARG 46 Cb 0.34 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3mjk h ARG 46 CO 0.01 0.37 -0.34 1.25 -1.51 0.00 0.00 179.97 179.75 3mjk h LEU 47 N 0.58 0.50 0.00 3.80 6.46 -0.67 -3.43 115.31 122.54 3mjk h LEU 47 Ca 0.32 -0.20 -0.17 0.00 -0.12 0.00 0.00 57.88 57.71 3mjk h LEU 47 Cb 0.48 -0.14 0.05 0.00 -0.73 0.00 0.00 40.66 40.32 3mjk h LEU 47 CO -0.11 0.81 0.11 0.18 -0.62 0.00 0.00 178.44 178.80 3mjk n LEU 48 N -4.06 0.00 -1.35 2.25 4.77 0.50 -4.93 117.00 114.18 3mjk n LEU 48 Ca -0.01 -0.68 -0.05 0.00 -0.03 0.00 0.00 56.01 55.24 3mjk n LEU 48 Cb 0.47 -0.32 0.10 0.00 -2.33 0.00 0.00 43.42 41.34 3mjk n LEU 48 CO 0.43 -0.78 0.71 -0.62 -1.33 0.00 0.00 177.39 175.80 3mjk n GLU 49 N -1.90 1.88 0.00 3.23 -0.58 -1.26 -4.91 120.64 117.11 3mjk n GLU 49 Ca 0.06 -1.24 0.00 0.00 -0.42 0.00 0.00 57.16 55.56 3mjk n GLU 49 Cb 0.22 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 3mjk n GLU 49 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 3mjk n ILE 50 N -0.02 0.00 0.25 -3.67 3.06 -1.17 -5.09 119.36 112.72 3mjk n ILE 50 Ca 0.20 0.00 0.09 0.00 -2.50 0.00 0.00 62.75 60.54 3mjk n ILE 50 Cb 0.86 0.00 0.65 0.00 0.54 0.00 0.00 39.64 41.69 3mjk n ILE 50 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 3mjk h SER 87 N 0.00 0.00 -3.98 9.51 0.87 -2.12 -3.33 113.55 114.50 3mjk h SER 87 Ca 0.00 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.10 3mjk h SER 87 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3mjk h SER 87 CO 0.00 0.08 0.36 -0.51 -0.53 0.00 0.00 176.83 176.22 3mjk s ILE 88 N -4.75 4.17 0.29 2.23 1.10 -1.26 -4.99 121.20 117.99 3mjk s ILE 88 Ca -0.04 1.55 -0.30 0.00 -0.51 0.00 0.00 60.65 61.35 3mjk s ILE 88 Cb 0.16 -3.75 -0.11 0.00 0.15 0.00 0.00 42.46 38.91 3mjk s ILE 88 CO 0.65 -0.09 1.54 -0.70 -2.11 0.00 0.00 174.94 174.23 3mjk s GLU 89 N -2.67 4.16 0.03 3.50 2.12 -1.26 -4.99 118.70 119.59 3mjk s GLU 89 Ca 0.57 2.51 -0.19 0.00 0.36 0.00 0.00 54.97 58.22 3mjk s GLU 89 Cb -0.15 -3.04 -0.06 0.00 0.26 0.00 0.00 34.13 31.14 3mjk s GLU 89 CO 0.20 -0.56 0.56 -2.00 -0.54 0.00 0.00 175.26 172.92 3mjk s GLU 90 N -0.69 4.24 0.33 4.30 2.12 -1.26 -5.03 118.70 122.71 3mjk s GLU 90 Ca 0.61 0.70 -0.29 0.00 0.36 0.00 0.00 54.97 56.35 3mjk s GLU 90 Cb -0.46 -3.29 -0.11 0.00 0.26 0.00 0.00 34.13 30.53 3mjk s GLU 90 CO 0.49 0.50 1.46 0.00 -0.54 0.00 0.00 175.26 177.17 3mjk s ALA 91 N -0.62 3.60 -0.15 6.30 0.00 -1.26 -5.00 121.76 124.63 3mjk s ALA 91 Ca 0.29 1.46 -0.05 0.00 0.00 0.00 0.00 51.96 53.66 3mjk s ALA 91 Cb -0.19 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 3mjk s ALA 91 CO 0.17 -0.90 0.03 0.08 0.00 0.00 0.00 175.76 175.14 3mjk s VAL 92 N -0.73 4.48 0.15 0.00 1.01 -1.26 -4.93 120.40 119.11 3mjk s VAL 92 Ca 0.55 -0.16 -0.31 0.00 0.00 0.00 0.00 61.98 62.07 3mjk s VAL 92 Cb -0.44 -2.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 3mjk s VAL 92 CO 0.55 0.51 1.31 -2.16 0.00 0.00 0.00 175.10 175.30 3mjk s PRO 93 N 0.02 4.38 -0.63 2.72 0.04 -1.26 -4.96 135.00 135.32 3mjk s PRO 93 Ca 0.04 2.00 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 3mjk s PRO 93 Cb -0.13 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.21 3mjk s PRO 93 CO 0.02 -0.30 1.14 0.00 0.04 0.00 0.00 177.00 177.89 3mjk s ALA 94 N 0.58 2.98 0.71 8.56 0.00 -1.26 -5.00 121.76 128.34 3mjk s ALA 94 Ca 0.59 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 3mjk s ALA 94 Cb -0.35 -4.01 0.03 0.00 0.00 0.00 0.00 23.12 18.79 3mjk s ALA 94 CO 0.34 -2.78 1.16 0.08 0.00 0.00 0.00 175.76 174.56 3mjk s VAL 95 N 4.85 2.68 -0.37 0.00 1.01 -1.26 -1.79 120.40 125.51 3mjk s VAL 95 Ca 0.36 0.32 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 3mjk s VAL 95 Cb -0.10 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.46 3mjk s VAL 95 CO 0.20 -0.19 1.26 0.00 0.00 0.00 0.00 175.10 176.37 3mjk n LYS 97 N 7.58 0.18 -2.92 0.00 2.85 -0.65 -4.82 118.16 120.39 3mjk n LYS 97 Ca 0.14 -0.46 -0.40 0.00 -1.05 0.00 0.00 58.31 56.53 3mjk n LYS 97 Cb 0.48 0.66 -0.04 0.00 -0.65 0.00 0.00 35.03 35.47 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 -2.28 4.91 0.04 0.58 -1.32 -1.26 -0.47 115.64 115.84 3mjk s THR 98 Ca 0.10 1.69 -0.08 0.00 -1.21 0.00 0.00 61.69 62.19 3mjk s THR 98 Cb -0.01 -4.15 -0.00 0.00 -1.51 0.00 0.00 72.50 66.83 3mjk s THR 98 CO 0.01 0.25 0.16 -0.13 -2.21 0.00 0.00 174.62 172.70 3mjk s ARG 99 N 0.66 0.67 -0.00 7.08 0.52 -0.16 -4.92 118.95 122.80 3mjk s ARG 99 Ca 0.43 -0.71 -0.23 0.00 -0.52 0.00 0.00 55.73 54.70 3mjk s ARG 99 Cb -0.19 0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.50 3mjk s ARG 99 CO 0.23 -0.19 0.69 -0.08 0.02 0.00 0.00 175.30 175.97 3mjk s THR 100 N -2.72 4.88 0.35 0.02 -1.32 -1.26 -0.96 115.64 114.62 3mjk s THR 100 Ca -0.04 1.45 0.04 0.00 -1.21 0.00 0.00 61.69 61.93 3mjk s THR 100 Cb -0.00 -4.03 -0.06 0.00 -1.51 0.00 0.00 72.50 66.90 3mjk s THR 100 CO -0.05 0.35 0.07 0.68 -2.21 0.00 0.00 174.62 173.46 3mjk s VAL 101 N 0.14 1.12 -0.08 5.08 -7.23 0.77 -4.91 120.40 115.29 3mjk s VAL 101 Ca 0.36 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 3mjk s VAL 101 Cb -0.19 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.00 3mjk s VAL 101 CO 0.20 0.00 0.26 -0.63 -0.31 0.00 0.00 175.10 174.62 3mjk s ILE 102 N -3.24 5.30 -0.14 -0.62 -1.09 -1.26 -1.17 121.20 118.98 3mjk s ILE 102 Ca 0.33 0.49 0.02 0.00 -2.23 0.00 0.00 60.65 59.26 3mjk s ILE 102 Cb 0.07 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.42 3mjk s ILE 102 CO 0.15 0.57 -0.21 -0.47 -1.23 0.00 0.00 174.94 173.75 3mjk s TYR 103 N -0.83 2.69 -0.22 3.97 5.04 0.10 -4.95 117.35 123.14 3mjk s TYR 103 Ca 0.18 -1.33 -0.19 0.00 -2.44 0.00 0.00 57.07 53.30 3mjk s TYR 103 Cb -0.14 -1.83 -0.03 0.00 0.35 0.00 0.00 41.96 40.32 3mjk s TYR 103 CO 0.07 -0.61 0.54 -1.21 -1.34 0.00 0.00 175.55 173.00 3mjk s GLU 104 N 0.83 4.15 0.01 4.97 2.02 -1.26 -1.94 118.70 127.49 3mjk s GLU 104 Ca -0.06 0.42 -0.30 0.00 0.02 0.00 0.00 54.97 55.05 3mjk s GLU 104 Cb -0.15 -3.59 -0.08 0.00 0.10 0.00 0.00 34.13 30.40 3mjk s GLU 104 CO -0.02 -0.23 2.00 0.42 0.02 0.00 0.00 175.26 177.44 3mjk s ILE 105 N 1.90 3.02 -0.03 -1.63 -1.09 -0.68 -4.86 121.20 117.82 3mjk s ILE 105 Ca 0.24 0.02 -0.30 0.00 -2.23 0.00 0.00 60.65 58.38 3mjk s ILE 105 Cb -0.15 -3.02 -0.06 0.00 -1.58 0.00 0.00 42.46 37.65 3mjk s ILE 105 CO 0.09 -0.00 1.64 -2.84 -1.23 0.00 0.00 174.94 172.60 3mjk s PRO 106 N 4.67 4.19 0.34 2.79 0.02 -1.26 -4.87 135.00 140.88 3mjk s PRO 106 Ca 0.90 2.19 0.14 0.00 0.02 0.00 0.00 61.00 64.25 3mjk s PRO 106 Cb -0.42 -3.90 1.02 0.00 0.02 0.00 0.00 34.50 31.22 3mjk s PRO 106 CO 0.41 -0.81 1.70 -0.09 -0.33 0.00 0.00 177.00 177.88 3mjk h ARG 107 N 9.25 0.43 0.00 5.54 2.43 -1.95 1.19 114.38 131.26 3mjk h ARG 107 Ca -0.40 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.71 3mjk h ARG 107 Cb 1.18 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3mjk h ARG 107 CO 0.95 0.28 -0.17 0.66 -1.51 0.00 0.00 179.97 180.18 3mjk h SER 108 N 0.44 0.00 1.30 -3.80 4.64 -1.89 -2.62 113.55 111.62 3mjk h SER 108 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 3mjk h SER 108 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 3mjk h SER 108 CO -0.50 0.17 0.00 1.67 -0.87 0.00 0.00 176.83 177.30 3mjk n GLN 109 N -3.56 0.23 -0.13 4.77 7.27 0.41 -3.50 117.38 122.87 3mjk n GLN 109 Ca -0.01 0.24 -0.27 0.00 0.07 0.00 0.00 57.00 57.03 3mjk n GLN 109 Cb 0.31 -1.79 -0.09 0.00 2.41 0.00 0.00 30.24 31.07 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 -2.20 1.53 -3.19 1.69 0.31 -1.08 -4.92 118.33 110.47 3mjk n VAL 110 Ca 0.05 -0.29 0.01 0.00 -0.01 0.00 0.00 64.34 64.11 3mjk n VAL 110 Cb 0.39 -1.95 -0.02 0.00 -0.91 0.00 0.00 33.84 31.35 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 -7.25 -1.14 0.25 4.52 3.68 -1.01 -5.01 116.67 110.71 3mjk s ASP 111 Ca -0.37 0.39 0.01 0.00 2.13 0.00 0.00 52.55 54.72 3mjk s ASP 111 Cb 0.13 1.90 0.29 0.00 -1.45 0.00 0.00 42.92 43.79 3mjk s ASP 111 CO 0.49 -0.29 1.63 -0.65 0.13 0.00 0.00 175.17 176.48 3mjk h PRO 112 N 8.04 0.47 0.00 4.34 0.11 -1.75 -3.37 132.00 139.84 3mjk h PRO 112 Ca -0.12 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3mjk h PRO 112 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3mjk h PRO 112 CO 0.22 0.79 0.00 0.25 -0.21 0.00 0.00 178.00 179.05 3mjk n THR 113 N -4.03 0.00 -1.94 -1.15 -2.24 -1.26 -4.74 114.28 98.92 3mjk n THR 113 Ca -0.02 1.20 -0.36 0.00 -2.27 0.00 0.00 64.05 62.61 3mjk n THR 113 Cb 0.50 -2.13 0.04 0.00 -2.10 0.00 0.00 70.33 66.64 3mjk n THR 113 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mjk s SER 114 N -2.15 5.05 -0.38 3.42 1.04 -1.26 -4.97 113.70 114.45 3mjk s SER 114 Ca 0.00 2.42 0.11 0.00 0.48 0.00 0.00 55.95 58.96 3mjk s SER 114 Cb 0.00 -2.60 0.35 0.00 0.10 0.00 0.00 66.02 63.87 3mjk s SER 114 CO 0.00 -1.69 0.83 0.00 0.98 0.00 0.00 173.24 173.36 3mjk n ALA 115 N -1.70 1.55 -1.88 5.32 0.00 -1.26 -4.83 120.51 117.72 3mjk n ALA 115 Ca 0.14 -2.98 -0.05 0.00 0.00 0.00 0.00 53.44 50.55 3mjk n ALA 115 Cb 0.49 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 3mjk n ALA 115 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3mjk n ASN 116 N 0.26 -0.69 -4.66 0.00 6.94 -1.26 -5.14 115.26 110.71 3mjk n ASN 116 Ca 0.20 -1.48 -0.30 0.00 -0.02 0.00 0.00 54.58 52.98 3mjk n ASN 116 Cb 0.68 0.21 -0.09 0.00 -2.36 0.00 0.00 39.78 38.22 3mjk n ASN 116 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3mjk s PHE 117 N 0.00 2.07 0.02 -2.53 -0.12 -1.26 -4.60 117.98 111.57 3mjk s PHE 117 Ca 0.00 -0.89 0.05 0.00 -0.05 0.00 0.00 56.93 56.05 3mjk s PHE 117 Cb 0.00 -1.62 -0.02 0.00 -0.63 0.00 0.00 43.02 40.75 3mjk s PHE 117 CO 0.00 0.25 -0.16 -1.17 -0.05 0.00 0.00 175.22 174.09 3mjk s LEU 118 N -3.79 2.13 -0.08 -1.99 0.20 0.23 -4.97 118.68 110.40 3mjk s LEU 118 Ca 0.17 -0.42 0.00 0.00 0.69 0.00 0.00 54.13 54.58 3mjk s LEU 118 Cb 0.05 -0.76 -0.03 0.00 -0.43 0.00 0.00 46.19 45.02 3mjk s LEU 118 CO 0.09 0.12 -0.08 0.27 -0.29 0.00 0.00 176.35 176.46 3mjk s ILE 119 N -0.69 3.60 -0.07 6.68 -0.00 -1.26 -0.70 121.20 128.77 3mjk s ILE 119 Ca 0.05 -0.50 -0.03 0.00 -0.00 0.00 0.00 60.65 60.16 3mjk s ILE 119 Cb -0.07 -2.49 0.04 0.00 -0.00 0.00 0.00 42.46 39.94 3mjk s ILE 119 CO 0.01 0.58 0.15 0.86 -0.00 0.00 0.00 174.94 176.53 3mjk s TRP 120 N -0.52 -0.17 0.55 1.37 -0.00 -0.38 -3.26 118.94 116.54 3mjk s TRP 120 Ca 0.08 0.50 -0.20 0.00 -0.00 0.00 0.00 56.10 56.48 3mjk s TRP 120 Cb -0.12 -0.10 -0.05 0.00 -0.00 0.00 0.00 33.47 33.20 3mjk s TRP 120 CO 0.02 -0.18 1.15 -1.25 -0.00 0.00 0.00 176.95 176.69 3mjk s PRO 121 N 1.28 3.28 0.40 5.86 0.04 -1.26 0.67 135.00 145.28 3mjk s PRO 121 Ca -0.08 1.68 0.23 0.00 0.04 0.00 0.00 61.00 62.87 3mjk s PRO 121 Cb -0.12 -2.01 0.31 0.00 0.04 0.00 0.00 34.50 32.72 3mjk s PRO 121 CO -0.06 -0.92 1.54 -1.00 0.04 0.00 0.00 177.00 176.60 3mjk h PRO 122 N 1.17 0.00 -3.84 0.56 0.13 -1.96 -3.46 132.00 124.60 3mjk h PRO 122 Ca -0.50 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.46 3mjk h PRO 122 Cb 1.27 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.19 3mjk h PRO 122 CO 0.57 0.00 -0.64 0.00 -0.23 0.00 0.00 178.00 177.69 3mjk s VAL 124 N -1.35 0.23 0.31 0.00 -7.23 -0.82 -4.97 120.40 106.56 3mjk s VAL 124 Ca -0.15 -1.50 -0.20 0.00 -1.81 0.00 0.00 61.98 58.32 3mjk s VAL 124 Cb -0.09 -1.08 -0.09 0.00 0.56 0.00 0.00 36.38 35.68 3mjk s VAL 124 CO -0.00 -0.81 0.82 -1.61 -0.31 0.00 0.00 175.10 173.20 3mjk s GLU 125 N -3.02 4.27 -0.02 4.82 2.02 -1.26 -0.72 118.70 124.79 3mjk s GLU 125 Ca -0.01 0.98 -0.17 0.00 0.02 0.00 0.00 54.97 55.79 3mjk s GLU 125 Cb 0.01 -2.62 0.03 0.00 0.10 0.00 0.00 34.13 31.65 3mjk s GLU 125 CO -0.06 0.23 0.36 0.14 0.02 0.00 0.00 175.26 175.95 3mjk s VAL 126 N -1.78 0.05 0.05 2.63 -7.23 -0.31 -4.90 120.40 108.91 3mjk s VAL 126 Ca 0.51 -0.41 -0.22 0.00 -1.81 0.00 0.00 61.98 60.05 3mjk s VAL 126 Cb -0.14 -0.67 -0.06 0.00 0.56 0.00 0.00 36.38 36.06 3mjk s VAL 126 CO 0.19 -0.23 0.65 -0.54 -0.31 0.00 0.00 175.10 174.86 3mjk s LYS 127 N -1.34 4.36 0.14 4.82 -0.14 -1.26 -0.16 119.74 126.16 3mjk s LYS 127 Ca -0.13 0.86 -0.08 0.00 -1.36 0.00 0.00 55.97 55.27 3mjk s LYS 127 Cb -0.04 -3.31 -0.01 0.00 -1.68 0.00 0.00 37.83 32.79 3mjk s LYS 127 CO 0.05 0.46 0.23 1.03 -0.76 0.00 0.00 175.35 176.35 3mjk s ARG 128 N -0.55 1.05 -0.08 1.68 1.81 -0.14 -0.48 118.95 122.24 3mjk s ARG 128 Ca 0.33 -1.16 -0.27 0.00 -1.72 0.00 0.00 55.73 52.90 3mjk s ARG 128 Cb -0.20 0.35 -0.02 0.00 -0.45 0.00 0.00 34.95 34.63 3mjk s ARG 128 CO 0.20 -0.36 0.87 0.00 -0.68 0.00 0.00 175.30 175.33 3mjk s THR 130 N 1.43 0.13 0.00 0.00 -4.23 0.38 -4.95 115.64 108.40 3mjk s THR 130 Ca 0.44 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 3mjk s THR 130 Cb -0.18 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 71.95 3mjk s THR 130 CO 0.19 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 3mjk n GLY 131 N -0.06 -0.58 3.10 3.99 0.00 -1.26 -1.63 105.19 108.74 3mjk n GLY 131 Ca -0.10 -2.23 -0.07 0.00 0.00 0.00 0.00 46.02 43.61 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 0.78 -0.08 -2.34 0.00 2.35 -1.86 -3.42 115.58 111.00 3mjk h ASN 134 Ca -0.49 0.16 -0.58 0.00 -0.55 0.00 0.00 56.30 54.84 3mjk h ASN 134 Cb 1.23 0.24 -0.11 0.00 0.05 0.00 0.00 38.32 39.73 3mjk h ASN 134 CO 0.59 -0.08 -0.69 0.42 -1.65 0.00 0.00 177.43 176.02 3mjk s THR 135 N -6.06 3.14 -2.00 2.81 -4.23 -1.26 -4.98 115.64 103.06 3mjk s THR 135 Ca -0.13 -2.01 0.18 0.00 -1.18 0.00 0.00 61.69 58.55 3mjk s THR 135 Cb 0.22 -2.65 0.51 0.00 1.34 0.00 0.00 72.50 71.91 3mjk s THR 135 CO 0.75 -0.34 1.62 -0.24 -0.54 0.00 0.00 174.62 175.88 3mjk n SER 136 N -0.67 0.00 -0.53 3.99 2.88 -1.26 -2.86 113.62 115.17 3mjk n SER 136 Ca -0.07 -1.26 0.10 0.00 -1.33 0.00 0.00 58.87 56.31 3mjk n SER 136 Cb 0.59 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.42 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 -0.81 1.58 -3.80 -3.46 3.41 -1.26 -4.79 113.62 104.49 3mjk n SER 137 Ca 0.13 -1.71 -0.13 0.00 -0.26 0.00 0.00 58.87 56.91 3mjk n SER 137 Cb 0.06 -0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.79 -0.01 0.13 -3.33 1.01 -1.13 -4.69 120.40 110.58 3mjk s VAL 138 Ca 0.32 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.42 3mjk s VAL 138 Cb 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.27 3mjk s VAL 138 CO 0.25 0.01 -0.19 -0.54 0.00 0.00 0.00 175.10 174.64 3mjk s LYS 139 N 0.27 1.75 -0.25 2.72 3.01 -1.11 -4.41 119.74 121.72 3mjk s LYS 139 Ca -0.02 -1.23 -0.29 0.00 -1.01 0.00 0.00 55.97 53.42 3mjk s LYS 139 Cb -0.03 -2.07 -0.01 0.00 -1.01 0.00 0.00 37.83 34.71 3mjk s LYS 139 CO -0.01 0.47 1.33 0.00 0.51 0.00 0.00 175.35 177.65 3mjk s GLN 141 N 4.02 1.17 0.03 0.00 -1.52 0.40 -4.89 119.66 118.87 3mjk s GLN 141 Ca 0.58 -1.33 -0.27 0.00 -1.95 0.00 0.00 55.36 52.39 3mjk s GLN 141 Cb -0.19 -1.19 -0.05 0.00 -0.22 0.00 0.00 33.01 31.36 3mjk s GLN 141 CO 0.21 0.24 0.84 -1.25 -0.25 0.00 0.00 175.29 175.08 3mjk s PRO 142 N -2.66 4.54 -0.01 2.91 0.04 -1.26 0.20 135.00 138.76 3mjk s PRO 142 Ca 0.12 1.19 0.15 0.00 0.04 0.00 0.00 61.00 62.51 3mjk s PRO 142 Cb -0.06 -3.40 -0.20 0.00 0.04 0.00 0.00 34.50 30.88 3mjk s PRO 142 CO 0.05 0.17 0.51 -1.13 0.04 0.00 0.00 177.00 176.64 3mjk n SER 143 N 3.17 1.03 -3.70 6.66 3.41 0.07 -4.89 113.62 119.38 3mjk n SER 143 Ca 0.00 -0.47 -0.17 0.00 -0.26 0.00 0.00 58.87 57.97 3mjk n SER 143 Cb 0.50 1.32 -0.17 0.00 -0.26 0.00 0.00 64.21 65.61 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 -2.72 -0.02 0.01 4.33 0.52 -1.20 -4.95 118.95 114.91 3mjk s ARG 144 Ca 0.01 0.39 0.05 0.00 -0.52 0.00 0.00 55.73 55.65 3mjk s ARG 144 Cb 0.11 -0.36 -0.02 0.00 0.52 0.00 0.00 34.95 35.20 3mjk s ARG 144 CO 0.63 -0.27 -0.15 0.14 0.02 0.00 0.00 175.30 175.67 3mjk s VAL 145 N 1.87 1.20 -0.10 3.52 -7.23 -1.26 -1.42 120.40 116.98 3mjk s VAL 145 Ca 0.00 -0.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 3mjk s VAL 145 Cb -0.12 -1.03 -0.02 0.00 0.56 0.00 0.00 36.38 35.76 3mjk s VAL 145 CO -0.04 0.22 -0.12 -1.00 -0.31 0.00 0.00 175.10 173.85 3mjk s HIS 146 N -0.55 2.81 0.09 2.82 3.76 0.13 -4.95 115.29 119.40 3mjk s HIS 146 Ca 0.05 -0.36 0.06 0.00 -0.15 0.00 0.00 55.06 54.66 3mjk s HIS 146 Cb -0.07 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 3mjk s HIS 146 CO 0.00 0.01 -0.09 -1.01 -0.85 0.00 0.00 174.74 172.80 3mjk s HIS 147 N -0.15 2.77 0.22 1.40 3.76 -1.26 0.21 115.29 122.23 3mjk s HIS 147 Ca -0.00 -0.14 -0.23 0.00 -0.15 0.00 0.00 55.06 54.54 3mjk s HIS 147 Cb -0.13 -1.47 0.04 0.00 1.11 0.00 0.00 32.58 32.13 3mjk s HIS 147 CO 0.03 0.42 0.80 -0.98 -0.85 0.00 0.00 174.74 174.16 3mjk s ARG 148 N -2.08 1.51 0.18 1.40 1.70 -0.51 -4.97 118.95 116.18 3mjk s ARG 148 Ca 0.21 -0.81 0.10 0.00 -0.47 0.00 0.00 55.73 54.76 3mjk s ARG 148 Cb -0.11 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 3mjk s ARG 148 CO 0.13 -0.69 -0.18 -1.12 -1.08 0.00 0.00 175.30 172.36 3mjk s SER 149 N -2.90 3.76 0.06 -2.89 0.01 -1.26 0.43 113.70 110.91 3mjk s SER 149 Ca 0.10 -0.74 -0.13 0.00 1.31 0.00 0.00 55.95 56.50 3mjk s SER 149 Cb -0.04 -0.44 0.02 0.00 0.21 0.00 0.00 66.02 65.77 3mjk s SER 149 CO 0.03 0.12 0.29 0.68 0.41 0.00 0.00 173.24 174.77 3mjk s VAL 150 N -1.62 0.09 -0.13 3.43 -7.23 -0.01 -4.95 120.40 109.98 3mjk s VAL 150 Ca 0.22 -0.75 -0.04 0.00 -1.81 0.00 0.00 61.98 59.60 3mjk s VAL 150 Cb -0.08 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 3mjk s VAL 150 CO 0.12 -0.42 0.01 -1.59 -0.31 0.00 0.00 175.10 172.91 3mjk s LYS 151 N -2.86 3.40 0.32 4.82 -2.85 -1.26 -0.38 119.74 120.94 3mjk s LYS 151 Ca -0.03 -0.41 0.08 0.00 -1.00 0.00 0.00 55.97 54.62 3mjk s LYS 151 Cb 0.00 -2.94 -0.06 0.00 -2.06 0.00 0.00 37.83 32.77 3mjk s LYS 151 CO -0.05 0.50 -0.07 0.14 0.10 0.00 0.00 175.35 175.97 3mjk s VAL 152 N -0.30 1.95 -0.21 1.79 -7.23 -0.16 -4.89 120.40 111.35 3mjk s VAL 152 Ca 0.07 -2.15 -0.12 0.00 -1.81 0.00 0.00 61.98 57.97 3mjk s VAL 152 Cb -0.12 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 3mjk s VAL 152 CO 0.02 -0.21 0.20 0.00 -0.31 0.00 0.00 175.10 174.80 3mjk s ALA 153 N -2.80 3.63 -0.34 1.32 0.00 0.21 -0.78 121.76 122.99 3mjk s ALA 153 Ca 0.32 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 3mjk s ALA 153 Cb 0.04 -2.32 -0.00 0.00 0.00 0.00 0.00 23.12 20.83 3mjk s ALA 153 CO 0.15 -0.04 0.20 0.21 0.00 0.00 0.00 175.76 176.29 3mjk s LYS 154 N 0.75 3.27 -0.13 0.00 2.20 0.47 -1.24 119.74 125.06 3mjk s LYS 154 Ca 0.11 -0.78 -0.03 0.00 -0.36 0.00 0.00 55.97 54.90 3mjk s LYS 154 Cb -0.13 -3.71 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 3mjk s LYS 154 CO 0.03 -0.50 -0.01 0.08 -0.36 0.00 0.00 175.35 174.58 3mjk s VAL 155 N 1.65 4.20 0.03 4.02 1.01 0.12 -1.38 120.40 130.05 3mjk s VAL 155 Ca 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 3mjk s VAL 155 Cb -0.18 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3mjk s VAL 155 CO 0.08 0.54 -0.03 -1.83 0.00 0.00 0.00 175.10 173.86 3mjk s GLU 156 N -0.21 0.42 -0.42 2.72 -1.05 -1.15 -0.60 118.70 118.41 3mjk s GLU 156 Ca 0.05 -0.84 0.07 0.00 -0.15 0.00 0.00 54.97 54.10 3mjk s GLU 156 Cb -0.13 0.15 0.43 0.00 -0.44 0.00 0.00 34.13 34.14 3mjk s GLU 156 CO 0.02 -0.07 1.09 0.66 0.95 0.00 0.00 175.26 177.91 3mjk n TYR 157 N 1.05 3.11 -2.59 4.83 4.01 -1.26 -0.99 117.16 125.32 3mjk n TYR 157 Ca -0.20 -3.06 -0.42 0.00 -0.16 0.00 0.00 57.90 54.06 3mjk n TYR 157 Cb 0.57 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 3mjk n TYR 157 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3mjk s VAL 158 N -5.21 4.55 -0.19 -0.72 -7.23 -1.25 -2.18 120.40 108.18 3mjk s VAL 158 Ca 0.45 1.84 -0.00 0.00 -1.81 0.00 0.00 61.98 62.46 3mjk s VAL 158 Cb 0.41 -4.18 0.00 0.00 0.56 0.00 0.00 36.38 33.17 3mjk s VAL 158 CO -0.16 0.01 0.02 0.54 -0.31 0.00 0.00 175.10 175.21 3mjk n ARG 159 N 5.01 -0.30 -2.84 4.82 5.12 -1.26 -3.41 116.66 123.79 3mjk n ARG 159 Ca 0.10 0.11 -0.12 0.00 -1.93 0.00 0.00 57.85 56.00 3mjk n ARG 159 Cb 0.48 -3.58 -0.02 0.00 -1.16 0.00 0.00 32.46 28.18 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 -1.18 -2.07 -4.36 5.56 4.01 -0.93 -4.87 118.16 114.33 3mjk n LYS 160 Ca -0.02 0.04 -0.34 0.00 -0.51 0.00 0.00 58.31 57.48 3mjk n LYS 160 Cb 0.52 -3.93 -0.14 0.00 -0.51 0.00 0.00 35.03 30.96 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 -4.98 3.37 0.02 1.97 1.02 -1.22 -5.07 119.74 114.85 3mjk s LYS 161 Ca 0.24 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 3mjk s LYS 161 Cb -0.14 -2.79 -0.07 0.00 -0.52 0.00 0.00 37.83 34.32 3mjk s LYS 161 CO 0.29 0.02 1.53 -2.14 -0.92 0.00 0.00 175.35 174.14 3mjk s PRO 162 N 0.86 4.23 -0.34 -1.68 0.02 -1.26 -3.87 135.00 132.96 3mjk s PRO 162 Ca -0.03 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.14 3mjk s PRO 162 Cb -0.15 -3.63 0.11 0.00 0.02 0.00 0.00 34.50 30.85 3mjk s PRO 162 CO 0.00 -0.68 0.14 0.21 -0.33 0.00 0.00 177.00 176.35 3mjk s LYS 163 N 2.70 0.85 -0.09 5.54 2.20 -0.16 -5.01 119.74 125.78 3mjk s LYS 163 Ca 0.69 -1.33 -0.11 0.00 -0.36 0.00 0.00 55.97 54.86 3mjk s LYS 163 Cb -0.35 -2.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.87 3mjk s LYS 163 CO 0.29 -1.04 0.26 -1.17 -0.36 0.00 0.00 175.35 173.33 3mjk s LEU 164 N 1.26 4.39 -0.01 5.43 0.20 -1.26 -2.92 118.68 125.77 3mjk s LEU 164 Ca 0.12 0.64 0.01 0.00 0.69 0.00 0.00 54.13 55.59 3mjk s LEU 164 Cb -0.19 -2.30 0.00 0.00 -0.43 0.00 0.00 46.19 43.27 3mjk s LEU 164 CO -0.17 0.32 -0.04 -1.59 -0.29 0.00 0.00 176.35 174.58 3mjk s LYS 165 N -0.73 0.36 -0.00 1.98 -2.85 -0.48 -4.96 119.74 113.06 3mjk s LYS 165 Ca 0.18 -0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 54.73 3mjk s LYS 165 Cb -0.14 -0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 35.23 3mjk s LYS 165 CO 0.07 0.06 0.94 -1.21 0.10 0.00 0.00 175.35 175.31 3mjk s GLU 166 N 0.06 4.55 0.16 1.78 2.02 -1.26 -0.40 118.70 125.61 3mjk s GLU 166 Ca -0.00 1.34 0.09 0.00 0.02 0.00 0.00 54.97 56.43 3mjk s GLU 166 Cb -0.03 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 3mjk s GLU 166 CO -0.00 -0.01 -0.16 0.08 0.02 0.00 0.00 175.26 175.18 3mjk s VAL 167 N 0.90 2.88 -0.10 2.63 1.01 0.04 -4.94 120.40 122.81 3mjk s VAL 167 Ca 0.50 -1.67 -0.09 0.00 0.00 0.00 0.00 61.98 60.71 3mjk s VAL 167 Cb -0.21 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3mjk s VAL 167 CO 0.27 -0.03 0.20 -1.58 0.00 0.00 0.00 175.10 173.96 3mjk s GLN 168 N -2.52 3.65 0.01 2.72 0.74 -1.26 -0.99 119.66 122.00 3mjk s GLN 168 Ca 0.21 -0.01 0.02 0.00 0.05 0.00 0.00 55.36 55.63 3mjk s GLN 168 Cb -0.09 -3.23 -0.01 0.00 1.10 0.00 0.00 33.01 30.78 3mjk s GLN 168 CO 0.12 0.69 -0.07 0.08 -0.55 0.00 0.00 175.29 175.56 3mjk s VAL 169 N -0.84 0.51 -0.14 1.34 1.01 0.49 -4.91 120.40 117.87 3mjk s VAL 169 Ca 0.16 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 3mjk s VAL 169 Cb -0.13 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 3mjk s VAL 169 CO 0.05 0.04 0.30 -0.13 0.00 0.00 0.00 175.10 175.36 3mjk s ARG 170 N -0.44 4.15 -0.07 2.72 3.00 -1.26 -0.83 118.95 126.22 3mjk s ARG 170 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 55.73 55.89 3mjk s ARG 170 Cb -0.04 -3.38 -0.02 0.00 0.00 0.00 0.00 34.95 31.51 3mjk s ARG 170 CO -0.00 0.33 -0.19 -0.51 0.00 0.00 0.00 175.30 174.93 3mjk s LEU 171 N 0.18 2.43 -0.20 2.53 1.43 0.17 -4.94 118.68 120.28 3mjk s LEU 171 Ca 0.17 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 3mjk s LEU 171 Cb -0.13 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 3mjk s LEU 171 CO 0.05 0.27 0.04 -0.70 0.23 0.00 0.00 176.35 176.24 3mjk s GLU 172 N -0.29 3.79 0.12 1.70 2.12 -1.26 -1.42 118.70 123.45 3mjk s GLU 172 Ca 0.01 -0.43 0.08 0.00 0.36 0.00 0.00 54.97 54.99 3mjk s GLU 172 Cb -0.13 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 3mjk s GLU 172 CO 0.03 0.09 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.43 3mjk s GLU 173 N 0.83 1.16 0.01 4.30 2.02 0.13 -4.76 118.70 122.40 3mjk s GLU 173 Ca 0.03 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 53.80 3mjk s GLU 173 Cb -0.14 -1.37 -0.04 0.00 0.10 0.00 0.00 34.13 32.69 3mjk s GLU 173 CO 0.02 0.31 0.03 -1.01 0.02 0.00 0.00 175.26 174.63 3mjk s HIS 174 N -1.41 3.15 -0.00 1.61 3.76 0.37 0.17 115.29 122.94 3mjk s HIS 174 Ca 0.09 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 3mjk s HIS 174 Cb -0.09 -1.68 -0.00 0.00 1.11 0.00 0.00 32.58 31.92 3mjk s HIS 174 CO 0.05 0.50 0.00 1.28 -0.85 0.00 0.00 174.74 175.72 3mjk n LEU 175 N 1.21 0.00 -3.88 0.89 4.77 -0.51 -4.53 117.00 114.95 3mjk n LEU 175 Ca -0.13 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.74 3mjk n LEU 175 Cb 0.53 0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 3mjk n LEU 175 CO 0.36 0.01 -0.20 -0.70 -1.33 0.00 0.00 177.39 175.53 3mjk s GLU 176 N -2.01 0.44 0.24 3.23 2.12 -1.24 -4.91 118.70 116.57 3mjk s GLU 176 Ca -0.00 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 54.95 3mjk s GLU 176 Cb 0.00 0.18 -0.05 0.00 0.26 0.00 0.00 34.13 34.52 3mjk s GLU 176 CO 0.01 -0.10 0.08 0.00 -0.54 0.00 0.00 175.26 174.72 3mjk s ALA 178 N -3.76 -1.79 -0.36 0.00 0.00 0.13 -4.78 121.76 111.19 3mjk s ALA 178 Ca 0.36 1.48 -0.21 0.00 0.00 0.00 0.00 51.96 53.58 3mjk s ALA 178 Cb 0.08 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3mjk s ALA 178 CO 0.12 -0.36 0.68 0.00 0.00 0.00 0.00 175.76 176.21 3mjk s ALA 180 N 2.84 -0.46 0.64 0.00 0.00 -0.89 -4.93 121.76 118.96 3mjk s ALA 180 Ca 0.26 -0.30 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 3mjk s ALA 180 Cb -0.14 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 3mjk s ALA 180 CO 0.16 -0.46 1.23 -0.08 0.00 0.00 0.00 175.76 176.61 3mjk s THR 181 N -3.19 2.39 0.39 0.00 -1.32 -1.26 -2.75 115.64 109.90 3mjk s THR 181 Ca -0.00 0.23 0.08 0.00 -1.21 0.00 0.00 61.69 60.79 3mjk s THR 181 Cb 0.02 -3.02 -0.07 0.00 -1.51 0.00 0.00 72.50 67.92 3mjk s THR 181 CO -0.07 -0.06 0.03 -0.89 -2.21 0.00 0.00 174.62 171.41 3mjk s THR 182 N -1.63 2.21 0.00 5.08 2.01 -1.26 -4.94 115.64 117.11 3mjk s THR 182 Ca 0.78 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.82 3mjk s THR 182 Cb -0.32 -2.91 0.00 0.00 0.01 0.00 0.00 72.50 69.28 3mjk s THR 182 CO 0.38 -0.07 0.00 -1.54 -0.69 0.00 0.00 174.62 172.70