#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 1.79 -0.21 0.00 2.02 -1.26 -5.11 118.70 115.93 3mjk s GLU 24 Ca 0.00 -1.96 -0.24 0.00 0.02 0.00 0.00 54.97 52.79 3mjk s GLU 24 Cb 0.00 -1.46 -0.01 0.00 0.10 0.00 0.00 34.13 32.76 3mjk s GLU 24 CO 0.00 0.01 0.77 0.42 0.02 0.00 0.00 175.26 176.48 3mjk s ILE 25 N -2.82 4.90 0.23 -1.63 -1.09 -1.26 -5.01 121.20 114.52 3mjk s ILE 25 Ca 0.33 1.46 -0.32 0.00 -2.23 0.00 0.00 60.65 59.89 3mjk s ILE 25 Cb 0.06 -4.07 -0.13 0.00 -1.58 0.00 0.00 42.46 36.75 3mjk s ILE 25 CO 0.16 0.01 1.58 -2.65 -1.23 0.00 0.00 174.94 172.80 3mjk n PRO 26 N 5.55 2.42 0.23 2.79 -0.02 -1.26 -4.85 135.00 139.86 3mjk n PRO 26 Ca 0.03 0.87 0.18 0.00 -2.02 0.00 0.00 63.50 62.56 3mjk n PRO 26 Cb 0.48 -2.63 0.84 0.00 -0.02 0.00 0.00 33.50 32.17 3mjk n PRO 26 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3mjk h ARG 27 N 5.43 0.00 -0.15 -0.52 2.43 -2.00 0.50 114.38 120.08 3mjk h ARG 27 Ca -0.45 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 3mjk h ARG 27 Cb 1.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3mjk h ARG 27 CO 0.85 0.00 0.07 1.49 -1.51 0.00 0.00 179.97 180.87 3mjk h GLU 28 N 0.00 0.21 0.42 0.20 4.57 -2.00 -2.51 114.58 115.47 3mjk h GLU 28 Ca 0.08 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3mjk h GLU 28 Cb 0.68 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3mjk h GLU 28 CO -0.00 0.27 -0.20 0.28 -1.18 0.00 0.00 179.01 178.18 3mjk h VAL 29 N 0.10 0.57 -0.84 0.32 2.07 -1.26 -1.63 116.25 115.57 3mjk h VAL 29 Ca 0.05 -0.33 0.20 0.00 0.82 0.00 0.00 66.70 67.45 3mjk h VAL 29 Cb 0.13 0.72 -0.13 0.00 -1.52 0.00 0.00 31.29 30.49 3mjk h VAL 29 CO -0.01 0.06 0.27 0.40 0.02 0.00 0.00 177.57 178.31 3mjk h ILE 30 N -0.76 0.43 0.23 4.57 1.08 -1.55 0.13 117.51 121.65 3mjk h ILE 30 Ca -0.06 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3mjk h ILE 30 Cb 0.53 0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 34.39 3mjk h ILE 30 CO 0.09 0.05 -0.13 -0.33 -0.69 0.00 0.00 178.15 177.15 3mjk h GLU 31 N 0.29 -0.32 -0.58 2.37 5.08 -1.30 -0.55 114.58 119.58 3mjk h GLU 31 Ca 0.51 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.98 3mjk h GLU 31 Cb 0.96 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.21 3mjk h GLU 31 CO -0.57 -0.21 0.20 -0.09 -1.00 0.00 0.00 179.01 177.34 3mjk h ARG 32 N -0.33 0.37 -0.76 2.33 2.43 0.11 -1.57 114.38 116.95 3mjk h ARG 32 Ca -0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3mjk h ARG 32 Cb 0.27 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 3mjk h ARG 32 CO 0.04 0.24 0.37 -0.07 -1.51 0.00 0.00 179.97 179.05 3mjk h LEU 33 N 0.38 0.99 -1.07 3.80 3.38 -0.58 -2.65 115.31 119.56 3mjk h LEU 33 Ca 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3mjk h LEU 33 Cb 0.35 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3mjk h LEU 33 CO -0.30 0.84 0.34 0.00 0.09 0.00 0.00 178.44 179.41 3mjk h ALA 34 N 1.19 1.28 -0.94 1.53 0.00 -0.29 -2.71 119.26 119.32 3mjk h ALA 34 Ca 0.26 -0.14 -0.48 0.00 0.00 0.00 0.00 54.91 54.55 3mjk h ALA 34 Cb 0.11 -0.28 -0.29 0.00 0.00 0.00 0.00 17.79 17.33 3mjk h ALA 34 CO -0.03 0.56 0.59 2.89 0.00 0.00 0.00 179.25 183.25 3mjk n ARG 35 N -4.34 2.23 -4.14 0.00 1.85 -0.67 -4.80 116.66 106.79 3mjk n ARG 35 Ca 0.07 -3.03 -0.13 0.00 -1.00 0.00 0.00 57.85 53.76 3mjk n ARG 35 Cb 0.13 -2.15 -0.11 0.00 -1.05 0.00 0.00 32.46 29.29 3mjk n ARG 35 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3mjk s SER 36 N -1.41 1.17 -0.34 2.89 1.04 -1.02 -5.03 113.70 111.00 3mjk s SER 36 Ca 0.56 -0.81 -0.26 0.00 0.48 0.00 0.00 55.95 55.92 3mjk s SER 36 Cb 0.47 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.65 3mjk s SER 36 CO 0.10 -0.32 0.95 -1.10 0.98 0.00 0.00 173.24 173.85 3mjk s GLN 37 N -2.81 3.95 -0.25 4.02 -1.52 -1.26 -4.93 119.66 116.86 3mjk s GLN 37 Ca 0.03 0.77 0.03 0.00 -1.95 0.00 0.00 55.36 54.23 3mjk s GLN 37 Cb -0.02 -3.76 0.06 0.00 -0.22 0.00 0.00 33.01 29.07 3mjk s GLN 37 CO -0.02 -0.87 -0.10 0.42 -0.25 0.00 0.00 175.29 174.47 3mjk s ILE 38 N 3.43 2.07 -0.66 1.08 1.01 -1.26 -4.99 121.20 121.88 3mjk s ILE 38 Ca 0.40 -1.56 0.23 0.00 0.00 0.00 0.00 60.65 59.72 3mjk s ILE 38 Cb -0.12 -2.19 -0.06 0.00 0.01 0.00 0.00 42.46 40.09 3mjk s ILE 38 CO 0.16 -0.03 1.14 1.41 0.00 0.00 0.00 174.94 177.62 3mjk n HIS 39 N 4.47 0.31 -3.78 3.97 8.25 -1.26 -5.02 115.22 122.16 3mjk n HIS 39 Ca -0.14 0.09 0.03 0.00 -0.26 0.00 0.00 57.72 57.44 3mjk n HIS 39 Cb 0.43 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 -3.90 -0.02 0.16 0.41 1.04 -1.26 -4.95 113.70 105.18 3mjk s SER 40 Ca 0.05 -0.12 -0.15 0.00 0.48 0.00 0.00 55.95 56.21 3mjk s SER 40 Cb 0.14 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.41 3mjk s SER 40 CO 0.77 -0.21 1.82 0.40 0.98 0.00 0.00 173.24 177.01 3mjk h ILE 41 N 2.00 1.12 -0.75 -1.02 2.04 -1.96 0.47 117.51 119.42 3mjk h ILE 41 Ca -0.27 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.42 3mjk h ILE 41 Cb 1.19 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 3mjk h ILE 41 CO 0.30 0.12 0.45 0.03 0.00 0.00 0.00 178.15 179.04 3mjk h ARG 42 N 0.62 0.80 -0.88 2.37 -0.00 -1.99 0.64 114.38 115.94 3mjk h ARG 42 Ca 0.17 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.58 3mjk h ARG 42 Cb -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 29.97 29.68 3mjk h ARG 42 CO -0.04 0.53 0.49 0.22 0.00 0.00 0.00 179.97 181.17 3mjk h ASP 43 N 0.82 1.10 -0.53 7.04 -0.00 -1.64 -1.64 116.42 121.58 3mjk h ASP 43 Ca 0.33 -0.09 -0.07 0.00 -0.00 0.00 0.00 57.03 57.19 3mjk h ASP 43 Cb 0.16 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.33 39.19 3mjk h ASP 43 CO -0.17 0.88 0.04 0.25 -0.00 0.00 0.00 179.24 180.24 3mjk h LEU 44 N 1.23 0.88 0.11 2.28 6.46 0.27 -1.62 115.31 124.92 3mjk h LEU 44 Ca 0.31 -0.29 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 3mjk h LEU 44 Cb 0.02 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.68 3mjk h LEU 44 CO -0.05 0.95 -0.25 1.56 -0.62 0.00 0.00 178.44 180.03 3mjk h GLN 45 N 0.78 -0.43 0.06 1.25 4.20 0.77 -0.69 115.11 121.06 3mjk h GLN 45 Ca 0.16 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.91 3mjk h GLN 45 Cb 0.47 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 3mjk h GLN 45 CO 0.02 -0.29 -0.40 0.00 -0.67 0.00 0.00 178.83 177.49 3mjk h ARG 46 N -0.45 -0.53 -0.94 1.46 3.08 -1.21 0.78 114.38 116.58 3mjk h ARG 46 Ca 0.03 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.36 3mjk h ARG 46 Cb 0.48 0.12 -0.17 0.00 0.08 0.00 0.00 29.97 30.48 3mjk h ARG 46 CO -0.15 -0.35 0.00 -0.07 -1.07 0.00 0.00 179.97 178.33 3mjk h LEU 47 N -0.55 -0.48 -0.18 3.04 3.38 -1.06 0.45 115.31 119.92 3mjk h LEU 47 Ca -0.00 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3mjk h LEU 47 Cb 0.56 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3mjk h LEU 47 CO -0.24 -0.31 -0.18 0.18 0.09 0.00 0.00 178.44 177.99 3mjk n LEU 48 N -5.46 0.46 -2.43 1.67 4.77 -0.29 -4.94 117.00 110.79 3mjk n LEU 48 Ca 0.20 0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 3mjk n LEU 48 Cb 0.67 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3mjk n LEU 48 CO -0.04 0.09 -0.20 -0.62 -1.33 0.00 0.00 177.39 175.29 3mjk n GLU 49 N -1.10 -2.29 -2.46 3.23 1.02 0.26 -4.93 120.64 114.38 3mjk n GLU 49 Ca 0.12 0.96 -0.43 0.00 -0.02 0.00 0.00 57.16 57.79 3mjk n GLU 49 Cb 0.30 -5.62 -0.02 0.00 -0.02 0.00 0.00 31.44 26.08 3mjk n GLU 49 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3mjk s ILE 50 N -3.04 4.28 0.00 -3.67 1.01 -0.89 -4.96 121.20 113.94 3mjk s ILE 50 Ca 0.06 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.30 3mjk s ILE 50 Cb -0.03 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3mjk s ILE 50 CO 0.08 -0.05 0.43 0.47 0.00 0.00 0.00 174.94 175.87 3mjk n ASP 51 N 5.68 0.00 0.00 3.58 10.43 -1.26 -4.66 116.55 130.32 3mjk n ASP 51 Ca 0.12 0.43 0.00 0.00 2.57 0.00 0.00 54.79 57.91 3mjk n ASP 51 Cb 0.46 -0.05 0.00 0.00 1.84 0.00 0.00 41.12 43.37 3mjk n ASP 51 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3mjk n SER 52 N -1.14 0.07 0.00 -2.24 7.64 -1.26 -5.02 113.62 111.68 3mjk n SER 52 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3mjk n SER 52 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3mjk n SER 52 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3mjk n VAL 53 N -2.05 0.00 0.00 0.44 3.14 -1.26 -5.08 118.33 113.52 3mjk n VAL 53 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3mjk n VAL 53 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.80 3mjk n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3mjk n GLY 54 N 0.00 3.61 0.00 7.55 0.00 -1.26 -5.31 105.19 109.78 3mjk n GLY 54 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.99 3mjk n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mjk n SER 55 N 9.08 0.44 0.00 1.61 2.88 -1.26 -5.01 113.62 121.36 3mjk n SER 55 Ca 0.00 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 3mjk n SER 55 Cb 0.00 1.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 3mjk n SER 55 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3mjk n SER 87 N -1.09 0.00 -4.16 -3.46 3.41 -1.26 -5.00 113.62 102.06 3mjk n SER 87 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.31 3mjk n SER 87 Cb 0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.82 3mjk n SER 87 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3mjk s ILE 88 N -2.95 1.85 0.30 -1.33 2.07 -1.26 -5.10 121.20 114.77 3mjk s ILE 88 Ca 0.00 -0.88 -0.30 0.00 -1.41 0.00 0.00 60.65 58.06 3mjk s ILE 88 Cb 0.00 -1.62 -0.11 0.00 0.13 0.00 0.00 42.46 40.86 3mjk s ILE 88 CO 0.00 0.51 1.52 -0.70 -1.91 0.00 0.00 174.94 174.36 3mjk s GLU 89 N 0.55 4.17 0.33 3.50 2.12 -1.26 -4.99 118.70 123.12 3mjk s GLU 89 Ca -0.15 2.49 -0.26 0.00 0.36 0.00 0.00 54.97 57.41 3mjk s GLU 89 Cb -0.17 -3.04 -0.10 0.00 0.26 0.00 0.00 34.13 31.09 3mjk s GLU 89 CO 0.05 -0.54 0.96 -2.00 -0.54 0.00 0.00 175.26 173.19 3mjk s GLU 90 N -0.84 4.55 0.15 4.30 2.12 -1.26 -5.02 118.70 122.70 3mjk s GLU 90 Ca 0.59 1.35 -0.30 0.00 0.36 0.00 0.00 54.97 56.98 3mjk s GLU 90 Cb -0.46 -2.79 -0.07 0.00 0.26 0.00 0.00 34.13 31.08 3mjk s GLU 90 CO 0.50 0.24 1.06 0.00 -0.54 0.00 0.00 175.26 176.52 3mjk s ALA 91 N -1.61 3.33 -0.21 6.30 0.00 -1.26 -5.03 121.76 123.28 3mjk s ALA 91 Ca 0.51 0.74 -0.10 0.00 0.00 0.00 0.00 51.96 53.11 3mjk s ALA 91 Cb -0.19 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 3mjk s ALA 91 CO 0.24 -0.16 0.12 0.08 0.00 0.00 0.00 175.76 176.05 3mjk s VAL 92 N -0.08 5.24 0.24 0.00 1.01 -1.26 -4.95 120.40 120.61 3mjk s VAL 92 Ca 0.49 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 62.30 3mjk s VAL 92 Cb -0.27 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.60 3mjk s VAL 92 CO 0.33 0.41 1.55 -2.16 0.00 0.00 0.00 175.10 175.23 3mjk s PRO 93 N 0.59 4.19 -0.66 2.72 0.04 -1.26 -4.94 135.00 135.69 3mjk s PRO 93 Ca 0.07 2.44 -0.25 0.00 0.04 0.00 0.00 61.00 63.29 3mjk s PRO 93 Cb -0.12 -3.09 0.04 0.00 0.04 0.00 0.00 34.50 31.38 3mjk s PRO 93 CO 0.00 -0.57 1.12 0.00 0.04 0.00 0.00 177.00 177.59 3mjk s ALA 94 N 0.37 2.97 0.82 8.56 0.00 -1.26 -4.99 121.76 128.22 3mjk s ALA 94 Ca 0.65 -1.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 3mjk s ALA 94 Cb -0.45 -4.02 0.09 0.00 0.00 0.00 0.00 23.12 18.74 3mjk s ALA 94 CO 0.41 -2.88 1.20 0.08 0.00 0.00 0.00 175.76 174.58 3mjk s VAL 95 N 4.82 2.02 -0.45 0.00 1.01 -1.26 -1.73 120.40 124.82 3mjk s VAL 95 Ca 0.32 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 3mjk s VAL 95 Cb -0.11 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.91 3mjk s VAL 95 CO 0.16 -0.01 1.08 0.00 0.00 0.00 0.00 175.10 176.33 3mjk n LYS 97 N 7.53 0.13 -3.11 0.00 2.85 -0.74 -4.81 118.16 120.01 3mjk n LYS 97 Ca 0.11 -0.33 -0.39 0.00 -1.05 0.00 0.00 58.31 56.64 3mjk n LYS 97 Cb 0.49 0.47 -0.05 0.00 -0.65 0.00 0.00 35.03 35.29 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 -2.32 4.87 0.07 0.58 2.01 -1.26 -0.82 115.64 118.78 3mjk s THR 98 Ca 0.07 1.40 -0.10 0.00 0.31 0.00 0.00 61.69 63.37 3mjk s THR 98 Cb -0.01 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.50 3mjk s THR 98 CO 0.01 0.37 0.21 -0.13 -0.69 0.00 0.00 174.62 174.40 3mjk s ARG 99 N 0.01 0.80 0.03 4.92 0.52 -0.45 -4.95 118.95 119.83 3mjk s ARG 99 Ca 0.34 -0.78 -0.23 0.00 -0.52 0.00 0.00 55.73 54.54 3mjk s ARG 99 Cb -0.19 0.33 -0.05 0.00 0.52 0.00 0.00 34.95 35.56 3mjk s ARG 99 CO 0.19 -0.25 0.71 0.95 0.02 0.00 0.00 175.30 176.92 3mjk s THR 100 N -3.26 4.78 0.36 0.02 -4.23 -1.26 -0.89 115.64 111.17 3mjk s THR 100 Ca 0.00 1.51 0.04 0.00 -1.18 0.00 0.00 61.69 62.05 3mjk s THR 100 Cb 0.02 -4.06 -0.05 0.00 1.34 0.00 0.00 72.50 69.75 3mjk s THR 100 CO -0.08 0.38 0.07 0.68 -0.54 0.00 0.00 174.62 175.13 3mjk s VAL 101 N -0.11 1.10 -0.20 2.29 -7.23 0.14 -4.93 120.40 111.45 3mjk s VAL 101 Ca 0.36 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.44 3mjk s VAL 101 Cb -0.20 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 3mjk s VAL 101 CO 0.21 0.00 0.10 -0.63 -0.31 0.00 0.00 175.10 174.48 3mjk s ILE 102 N -3.21 5.09 -0.25 -0.62 -1.09 -1.26 -0.84 121.20 119.02 3mjk s ILE 102 Ca 0.31 0.08 -0.05 0.00 -2.23 0.00 0.00 60.65 58.76 3mjk s ILE 102 Cb 0.07 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 3mjk s ILE 102 CO 0.14 0.43 -0.00 -0.47 -1.23 0.00 0.00 174.94 173.81 3mjk s TYR 103 N 0.56 3.05 -0.11 3.97 5.04 0.39 -4.94 117.35 125.30 3mjk s TYR 103 Ca 0.06 -1.04 -0.25 0.00 -2.44 0.00 0.00 57.07 53.39 3mjk s TYR 103 Cb -0.12 -2.15 -0.02 0.00 0.35 0.00 0.00 41.96 40.01 3mjk s TYR 103 CO 0.00 -0.58 0.81 -1.21 -1.34 0.00 0.00 175.55 173.24 3mjk s GLU 104 N 1.46 4.38 0.01 4.97 2.02 -1.26 -1.53 118.70 128.74 3mjk s GLU 104 Ca 0.04 1.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.76 3mjk s GLU 104 Cb -0.16 -3.52 -0.08 0.00 0.10 0.00 0.00 34.13 30.48 3mjk s GLU 104 CO -0.01 -0.17 1.82 0.42 0.02 0.00 0.00 175.26 177.34 3mjk s ILE 105 N 1.59 3.21 -0.03 -1.63 -1.09 -0.11 -4.93 121.20 118.22 3mjk s ILE 105 Ca 0.40 0.31 -0.30 0.00 -2.23 0.00 0.00 60.65 58.83 3mjk s ILE 105 Cb -0.18 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 3mjk s ILE 105 CO 0.16 -0.02 1.22 -2.84 -1.23 0.00 0.00 174.94 172.23 3mjk s PRO 106 N 4.11 4.36 0.63 2.79 0.02 -1.26 -4.89 135.00 140.75 3mjk s PRO 106 Ca 0.81 1.72 0.26 0.00 0.02 0.00 0.00 61.00 63.81 3mjk s PRO 106 Cb -0.39 -3.52 1.29 0.00 0.02 0.00 0.00 34.50 31.90 3mjk s PRO 106 CO 0.36 -0.42 1.73 0.00 -0.33 0.00 0.00 177.00 178.34 3mjk h ARG 107 N 7.38 0.00 -0.02 5.54 3.08 -1.96 0.14 114.38 128.53 3mjk h ARG 107 Ca -0.36 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 3mjk h ARG 107 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 3mjk h ARG 107 CO 0.87 0.00 0.01 0.77 -1.07 0.00 0.00 179.97 180.55 3mjk h SER 108 N 0.00 0.03 -0.28 7.04 0.02 -1.90 -2.77 113.55 115.70 3mjk h SER 108 Ca 0.15 -0.16 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 3mjk h SER 108 Cb 1.31 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 3mjk h SER 108 CO -0.00 0.19 0.19 1.56 -1.14 0.00 0.00 176.83 177.63 3mjk h GLN 109 N -0.12 0.12 0.00 3.45 4.20 -1.11 -3.35 115.11 118.30 3mjk h GLN 109 Ca 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3mjk h GLN 109 Cb 0.16 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3mjk h GLN 109 CO -0.00 0.08 0.00 0.28 -0.67 0.00 0.00 178.83 178.52 3mjk n VAL 110 N -4.48 0.00 -3.92 -0.54 0.31 -1.13 -4.88 118.33 103.69 3mjk n VAL 110 Ca 0.03 0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 64.08 3mjk n VAL 110 Cb 0.26 -0.03 -0.16 0.00 -0.91 0.00 0.00 33.84 33.00 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 -1.02 3.07 0.22 4.52 -1.08 -1.06 -4.98 116.67 116.35 3mjk s ASP 111 Ca 0.00 -0.77 0.12 0.00 -0.52 0.00 0.00 52.55 51.38 3mjk s ASP 111 Cb 0.00 -1.01 -0.00 0.00 -1.46 0.00 0.00 42.92 40.45 3mjk s ASP 111 CO 0.00 -0.18 1.40 -0.65 0.52 0.00 0.00 175.17 176.26 3mjk h PRO 112 N 8.07 0.00 -1.06 4.34 0.11 -1.78 -3.32 132.00 138.36 3mjk h PRO 112 Ca -0.24 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.39 3mjk h PRO 112 Cb 1.10 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 31.96 3mjk h PRO 112 CO 0.42 0.68 0.61 0.25 -0.21 0.00 0.00 178.00 179.75 3mjk n THR 113 N -3.30 3.00 -3.15 -1.15 -2.24 -1.26 -4.80 114.28 101.38 3mjk n THR 113 Ca 0.01 -1.90 0.04 0.00 -2.27 0.00 0.00 64.05 59.94 3mjk n THR 113 Cb 0.80 -0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 3mjk n THR 113 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3mjk s SER 114 N -0.99 -1.33 0.00 3.42 0.01 -1.25 -5.11 113.70 108.45 3mjk s SER 114 Ca 0.49 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.55 3mjk s SER 114 Cb 0.40 2.10 0.00 0.00 0.21 0.00 0.00 66.02 68.73 3mjk s SER 114 CO 0.06 -0.25 0.52 0.00 0.41 0.00 0.00 173.24 173.98 3mjk n ALA 115 N 5.43 -0.01 -2.61 1.44 0.00 -1.26 -4.79 120.51 118.71 3mjk n ALA 115 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 3mjk n ALA 115 Cb 0.51 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 3mjk n ALA 115 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3mjk s ASN 116 N -2.39 6.73 -0.07 0.00 3.84 -1.26 -5.04 114.94 116.75 3mjk s ASN 116 Ca 0.00 0.87 -0.23 0.00 0.21 0.00 0.00 52.86 53.71 3mjk s ASN 116 Cb 0.00 -2.26 0.07 0.00 -0.55 0.00 0.00 41.25 38.51 3mjk s ASN 116 CO 0.00 0.16 1.01 2.22 -2.79 0.00 0.00 177.10 177.70 3mjk n PHE 117 N 2.79 -0.03 -4.27 0.43 1.16 -1.26 -4.88 117.46 111.40 3mjk n PHE 117 Ca -0.11 -0.38 -0.20 0.00 -1.87 0.00 0.00 57.45 54.89 3mjk n PHE 117 Cb 0.52 0.16 -0.16 0.00 -1.61 0.00 0.00 39.48 38.39 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 1.51 0.04 5.98 0.20 0.12 -4.95 118.68 121.58 3mjk s LEU 118 Ca 0.24 -0.16 -0.00 0.00 0.69 0.00 0.00 54.13 54.90 3mjk s LEU 118 Cb -0.00 -0.51 -0.04 0.00 -0.43 0.00 0.00 46.19 45.21 3mjk s LEU 118 CO -0.02 -0.01 0.15 0.27 -0.29 0.00 0.00 176.35 176.45 3mjk s ILE 119 N 0.66 5.10 -0.26 6.68 -0.00 -1.26 0.12 121.20 132.23 3mjk s ILE 119 Ca -0.10 -0.42 -0.15 0.00 -0.00 0.00 0.00 60.65 59.98 3mjk s ILE 119 Cb -0.13 -3.43 0.08 0.00 -0.00 0.00 0.00 42.46 38.98 3mjk s ILE 119 CO 0.01 0.22 0.65 0.86 -0.00 0.00 0.00 174.94 176.67 3mjk s TRP 120 N -1.39 -0.98 0.35 1.37 -0.00 -0.84 -3.68 118.94 113.76 3mjk s TRP 120 Ca 0.30 1.99 -0.28 0.00 -0.00 0.00 0.00 56.10 58.11 3mjk s TRP 120 Cb -0.13 0.56 -0.09 0.00 -0.00 0.00 0.00 33.47 33.81 3mjk s TRP 120 CO 0.22 -0.49 1.23 -1.25 -0.00 0.00 0.00 176.95 176.66 3mjk s PRO 121 N 1.53 4.29 0.46 5.86 0.04 -1.26 -0.14 135.00 145.78 3mjk s PRO 121 Ca -0.09 2.02 0.26 0.00 0.04 0.00 0.00 61.00 63.23 3mjk s PRO 121 Cb -0.05 -2.95 1.01 0.00 0.04 0.00 0.00 34.50 32.54 3mjk s PRO 121 CO -0.18 -0.18 1.86 -1.00 0.04 0.00 0.00 177.00 177.54 3mjk h PRO 122 N 3.18 0.00 -3.53 0.56 0.13 -1.96 -3.45 132.00 126.93 3mjk h PRO 122 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 3mjk h PRO 122 Cb 1.23 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.16 3mjk h PRO 122 CO 0.65 0.18 -0.47 0.00 -0.23 0.00 0.00 178.00 178.13 3mjk s VAL 124 N -1.73 0.22 -0.04 0.00 -7.23 -0.58 -4.97 120.40 106.07 3mjk s VAL 124 Ca -0.12 -1.89 -0.25 0.00 -1.81 0.00 0.00 61.98 57.92 3mjk s VAL 124 Cb -0.06 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 3mjk s VAL 124 CO 0.00 -0.64 0.75 -1.61 -0.31 0.00 0.00 175.10 173.29 3mjk s GLU 125 N -3.99 4.46 0.05 4.82 2.02 -1.26 -0.46 118.70 124.35 3mjk s GLU 125 Ca 0.18 0.99 0.04 0.00 0.02 0.00 0.00 54.97 56.20 3mjk s GLU 125 Cb 0.07 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.84 3mjk s GLU 125 CO -0.02 0.08 -0.11 0.14 0.02 0.00 0.00 175.26 175.37 3mjk s VAL 126 N 0.71 0.84 -0.02 2.63 -7.23 -0.02 -4.92 120.40 112.38 3mjk s VAL 126 Ca 0.40 -1.14 -0.19 0.00 -1.81 0.00 0.00 61.98 59.23 3mjk s VAL 126 Cb -0.19 -0.84 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 3mjk s VAL 126 CO 0.20 -0.26 0.56 -0.54 -0.31 0.00 0.00 175.10 174.75 3mjk s LYS 127 N -1.55 4.28 0.15 4.82 -0.14 -1.26 0.24 119.74 126.27 3mjk s LYS 127 Ca -0.05 0.65 -0.00 0.00 -1.36 0.00 0.00 55.97 55.21 3mjk s LYS 127 Cb -0.10 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 3mjk s LYS 127 CO 0.01 0.36 0.04 1.03 -0.76 0.00 0.00 175.35 176.03 3mjk s ARG 128 N -0.13 0.99 -0.09 1.68 1.81 -0.07 -0.77 118.95 122.37 3mjk s ARG 128 Ca 0.29 -1.47 -0.23 0.00 -1.72 0.00 0.00 55.73 52.60 3mjk s ARG 128 Cb -0.17 0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.35 3mjk s ARG 128 CO 0.16 -0.21 0.69 0.00 -0.68 0.00 0.00 175.30 175.25 3mjk s THR 130 N 0.98 0.15 0.00 0.00 -4.23 0.00 -4.95 115.64 107.59 3mjk s THR 130 Ca 0.36 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 3mjk s THR 130 Cb -0.17 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.13 3mjk s THR 130 CO 0.17 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 3mjk n GLY 131 N -0.03 1.14 3.20 3.99 0.00 -1.26 -1.80 105.19 110.44 3mjk n GLY 131 Ca -0.13 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.52 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 0.06 0.93 -2.17 0.00 2.35 -1.87 -3.44 115.58 111.45 3mjk h ASN 134 Ca -0.39 -0.10 -0.57 0.00 -0.55 0.00 0.00 56.30 54.69 3mjk h ASN 134 Cb 1.29 -0.24 -0.11 0.00 0.05 0.00 0.00 38.32 39.31 3mjk h ASN 134 CO 0.47 0.79 -0.66 0.42 -1.65 0.00 0.00 177.43 176.79 3mjk s THR 135 N -5.60 3.15 -1.64 2.81 -4.23 -1.26 -4.97 115.64 103.90 3mjk s THR 135 Ca -0.11 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.43 3mjk s THR 135 Cb 0.17 -2.73 0.18 0.00 1.34 0.00 0.00 72.50 71.46 3mjk s THR 135 CO 0.81 -0.36 1.04 -0.24 -0.54 0.00 0.00 174.62 175.33 3mjk n SER 136 N -0.85 1.37 -0.89 3.99 2.88 -1.26 -3.30 113.62 115.56 3mjk n SER 136 Ca -0.06 -2.07 0.12 0.00 -1.33 0.00 0.00 58.87 55.53 3mjk n SER 136 Cb 0.60 -0.25 0.16 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.08 2.79 -3.80 -3.46 3.41 -1.26 -4.84 113.62 106.54 3mjk n SER 137 Ca 0.07 -1.93 -0.16 0.00 -0.26 0.00 0.00 58.87 56.58 3mjk n SER 137 Cb 0.26 -0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.00 0.09 0.22 -3.33 1.01 -1.21 -4.22 120.40 110.96 3mjk s VAL 138 Ca 0.29 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.48 3mjk s VAL 138 Cb 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.34 3mjk s VAL 138 CO 0.30 0.12 0.11 -0.54 0.00 0.00 0.00 175.10 175.10 3mjk s LYS 139 N 1.05 2.71 -0.35 2.72 -0.14 -1.16 -4.34 119.74 120.24 3mjk s LYS 139 Ca -0.09 -1.08 -0.28 0.00 -1.36 0.00 0.00 55.97 53.15 3mjk s LYS 139 Cb -0.13 -2.47 0.02 0.00 -1.68 0.00 0.00 37.83 33.56 3mjk s LYS 139 CO -0.02 0.42 1.03 0.00 -0.76 0.00 0.00 175.35 176.02 3mjk s GLN 141 N 3.67 1.28 0.26 0.00 -1.52 -0.23 -4.84 119.66 118.28 3mjk s GLN 141 Ca 0.43 -1.51 -0.22 0.00 -1.95 0.00 0.00 55.36 52.12 3mjk s GLN 141 Cb -0.12 -1.14 -0.09 0.00 -0.22 0.00 0.00 33.01 31.45 3mjk s GLN 141 CO 0.18 0.20 0.80 -1.25 -0.25 0.00 0.00 175.29 174.98 3mjk s PRO 142 N -3.34 4.35 0.00 2.91 0.04 -1.26 -0.06 135.00 137.64 3mjk s PRO 142 Ca 0.19 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.33 3mjk s PRO 142 Cb -0.02 -2.81 0.05 0.00 0.04 0.00 0.00 34.50 31.75 3mjk s PRO 142 CO 0.06 0.33 0.71 -1.13 0.04 0.00 0.00 177.00 177.02 3mjk n SER 143 N 0.58 1.54 -3.54 6.66 3.41 0.21 -4.86 113.62 117.61 3mjk n SER 143 Ca -0.00 -1.27 -0.02 0.00 -0.26 0.00 0.00 58.87 57.31 3mjk n SER 143 Cb 0.51 0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.77 0.50 0.08 4.33 0.52 -1.21 -4.95 118.95 117.45 3mjk s ARG 144 Ca 0.09 1.21 0.08 0.00 -0.52 0.00 0.00 55.73 56.59 3mjk s ARG 144 Cb 0.07 0.59 -0.03 0.00 0.52 0.00 0.00 34.95 36.10 3mjk s ARG 144 CO 0.12 -0.32 -0.22 0.14 0.02 0.00 0.00 175.30 175.04 3mjk s VAL 145 N 2.80 1.82 -0.08 3.52 -7.23 -1.26 -1.32 120.40 118.64 3mjk s VAL 145 Ca 0.01 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 3mjk s VAL 145 Cb -0.13 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 3mjk s VAL 145 CO -0.18 0.09 -0.18 -2.28 -0.31 0.00 0.00 175.10 172.24 3mjk s HIS 146 N -0.99 2.64 0.12 2.82 2.46 0.86 -4.96 115.29 118.23 3mjk s HIS 146 Ca 0.08 -0.60 0.09 0.00 0.47 0.00 0.00 55.06 55.10 3mjk s HIS 146 Cb -0.10 -1.70 -0.04 0.00 -0.13 0.00 0.00 32.58 30.62 3mjk s HIS 146 CO 0.03 -0.14 -0.18 -1.01 -2.47 0.00 0.00 174.74 170.97 3mjk s HIS 147 N -0.07 2.53 0.07 3.88 3.76 -1.26 -0.64 115.29 123.56 3mjk s HIS 147 Ca -0.04 -0.26 -0.26 0.00 -0.15 0.00 0.00 55.06 54.34 3mjk s HIS 147 Cb -0.14 -1.33 0.08 0.00 1.11 0.00 0.00 32.58 32.29 3mjk s HIS 147 CO 0.04 0.40 0.69 -0.98 -0.85 0.00 0.00 174.74 174.04 3mjk s ARG 148 N -2.21 1.12 0.12 1.40 1.70 -0.77 -4.97 118.95 115.34 3mjk s ARG 148 Ca 0.18 -0.24 0.03 0.00 -0.47 0.00 0.00 55.73 55.24 3mjk s ARG 148 Cb -0.10 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 3mjk s ARG 148 CO 0.10 -0.45 0.17 -1.12 -1.08 0.00 0.00 175.30 172.92 3mjk s SER 149 N -2.26 5.84 0.21 -2.89 0.01 -1.26 -0.42 113.70 112.93 3mjk s SER 149 Ca -0.01 0.03 -0.10 0.00 1.31 0.00 0.00 55.95 57.18 3mjk s SER 149 Cb -0.01 -1.64 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 3mjk s SER 149 CO -0.06 0.11 0.36 0.68 0.41 0.00 0.00 173.24 174.73 3mjk s VAL 150 N -1.62 0.03 -0.06 3.43 -7.23 -0.77 -4.96 120.40 109.21 3mjk s VAL 150 Ca 0.32 -1.44 0.04 0.00 -1.81 0.00 0.00 61.98 59.09 3mjk s VAL 150 Cb -0.11 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 3mjk s VAL 150 CO 0.25 -0.12 -0.19 -1.59 -0.31 0.00 0.00 175.10 173.14 3mjk s LYS 151 N -4.01 2.59 0.29 4.82 -2.85 -1.26 -1.00 119.74 118.32 3mjk s LYS 151 Ca 0.22 -0.78 0.10 0.00 -1.00 0.00 0.00 55.97 54.51 3mjk s LYS 151 Cb 0.02 -2.31 -0.06 0.00 -2.06 0.00 0.00 37.83 33.42 3mjk s LYS 151 CO 0.05 0.49 -0.14 0.14 0.10 0.00 0.00 175.35 175.99 3mjk s VAL 152 N -0.41 2.20 -0.15 1.79 -7.23 -0.41 -4.88 120.40 111.32 3mjk s VAL 152 Ca 0.04 -2.29 -0.11 0.00 -1.81 0.00 0.00 61.98 57.82 3mjk s VAL 152 Cb -0.12 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 3mjk s VAL 152 CO 0.02 -0.35 0.21 0.00 -0.31 0.00 0.00 175.10 174.66 3mjk s ALA 153 N -2.67 3.72 -0.39 1.32 0.00 0.80 -0.71 121.76 123.83 3mjk s ALA 153 Ca 0.30 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 3mjk s ALA 153 Cb -0.01 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.92 3mjk s ALA 153 CO 0.14 0.30 0.29 0.21 0.00 0.00 0.00 175.76 176.70 3mjk s LYS 154 N -0.14 3.16 -0.33 0.00 2.20 -0.47 -1.99 119.74 122.17 3mjk s LYS 154 Ca 0.14 -0.87 -0.12 0.00 -0.36 0.00 0.00 55.97 54.76 3mjk s LYS 154 Cb -0.12 -3.92 -0.02 0.00 -1.51 0.00 0.00 37.83 32.26 3mjk s LYS 154 CO 0.03 -0.66 0.22 0.08 -0.36 0.00 0.00 175.35 174.66 3mjk s VAL 155 N 1.73 5.16 0.44 4.02 1.01 0.31 -1.81 120.40 131.27 3mjk s VAL 155 Ca 0.06 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.90 3mjk s VAL 155 Cb -0.18 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3mjk s VAL 155 CO 0.10 0.03 0.30 -1.61 0.00 0.00 0.00 175.10 173.93 3mjk s GLU 156 N 1.71 2.34 -0.48 2.72 2.02 0.14 0.12 118.70 127.28 3mjk s GLU 156 Ca 0.06 -1.78 0.06 0.00 0.02 0.00 0.00 54.97 53.34 3mjk s GLU 156 Cb -0.17 -2.15 0.24 0.00 0.10 0.00 0.00 34.13 32.15 3mjk s GLU 156 CO 0.10 -0.25 0.82 0.98 0.02 0.00 0.00 175.26 176.93 3mjk n TYR 157 N -1.46 -3.01 -3.56 1.61 4.19 -1.26 -1.47 117.16 112.20 3mjk n TYR 157 Ca 0.00 -1.95 -0.37 0.00 3.31 0.00 0.00 57.90 58.89 3mjk n TYR 157 Cb 0.63 1.31 -0.08 0.00 0.49 0.00 0.00 39.34 41.70 3mjk n TYR 157 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 3mjk s VAL 158 N 0.48 5.31 -0.28 2.97 -7.23 -0.99 -4.43 120.40 116.23 3mjk s VAL 158 Ca 0.32 0.45 -0.00 0.00 -1.81 0.00 0.00 61.98 60.94 3mjk s VAL 158 Cb 0.20 -3.60 -0.00 0.00 0.56 0.00 0.00 36.38 33.54 3mjk s VAL 158 CO -0.21 0.36 0.23 0.54 -0.31 0.00 0.00 175.10 175.71 3mjk n ARG 159 N 3.91 -1.44 -2.76 4.82 3.00 -1.26 -3.72 116.66 119.22 3mjk n ARG 159 Ca -0.12 0.20 -0.10 0.00 -0.01 0.00 0.00 57.85 57.81 3mjk n ARG 159 Cb 0.52 -3.20 -0.01 0.00 0.00 0.00 0.00 32.46 29.77 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 -1.76 -2.65 -3.86 5.56 5.02 -1.26 -4.91 118.16 114.30 3mjk n LYS 160 Ca -0.06 0.27 -0.11 0.00 -2.02 0.00 0.00 58.31 56.38 3mjk n LYS 160 Cb 0.54 -4.83 -0.11 0.00 -0.02 0.00 0.00 35.03 30.60 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 -5.32 0.35 0.26 1.97 1.02 -1.24 -5.17 119.74 111.60 3mjk s LYS 161 Ca 0.12 -0.20 -0.18 0.00 0.02 0.00 0.00 55.97 55.73 3mjk s LYS 161 Cb -0.07 0.15 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 3mjk s LYS 161 CO 0.15 -0.07 0.73 -1.25 -0.92 0.00 0.00 175.35 173.99 3mjk s PRO 162 N -0.84 4.16 -0.04 -1.68 0.04 -1.26 -2.36 135.00 133.03 3mjk s PRO 162 Ca -0.09 0.81 -0.03 0.00 0.04 0.00 0.00 61.00 61.72 3mjk s PRO 162 Cb -0.05 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.79 3mjk s PRO 162 CO 0.01 0.30 0.10 0.21 0.04 0.00 0.00 177.00 177.65 3mjk s LYS 163 N -2.36 0.11 -0.05 4.56 2.36 -0.54 -4.94 119.74 118.88 3mjk s LYS 163 Ca 0.47 0.13 -0.02 0.00 -2.55 0.00 0.00 55.97 54.01 3mjk s LYS 163 Cb -0.14 0.05 0.04 0.00 -1.05 0.00 0.00 37.83 36.72 3mjk s LYS 163 CO 0.20 -0.01 0.09 -1.17 1.55 0.00 0.00 175.35 176.00 3mjk s LEU 164 N 0.06 0.68 -0.06 5.43 0.20 -1.26 0.27 118.68 124.00 3mjk s LEU 164 Ca -0.00 0.17 0.02 0.00 0.69 0.00 0.00 54.13 55.01 3mjk s LEU 164 Cb -0.01 0.11 0.01 0.00 -0.43 0.00 0.00 46.19 45.88 3mjk s LEU 164 CO 0.00 -0.17 -0.12 -1.59 -0.29 0.00 0.00 176.35 174.18 3mjk s LYS 165 N 1.41 1.68 -0.05 1.98 -2.85 -0.75 -4.95 119.74 116.21 3mjk s LYS 165 Ca -0.06 -0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 54.21 3mjk s LYS 165 Cb -0.12 -1.39 -0.05 0.00 -2.06 0.00 0.00 37.83 34.21 3mjk s LYS 165 CO -0.04 0.03 1.47 -1.21 0.10 0.00 0.00 175.35 175.69 3mjk s GLU 166 N 0.66 4.23 0.08 1.78 2.02 -1.26 -1.36 118.70 124.85 3mjk s GLU 166 Ca -0.14 1.99 0.07 0.00 0.02 0.00 0.00 54.97 56.90 3mjk s GLU 166 Cb -0.16 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 3mjk s GLU 166 CO 0.04 -0.71 -0.12 0.08 0.02 0.00 0.00 175.26 174.57 3mjk s VAL 167 N 3.23 3.23 -0.03 2.63 1.01 0.11 -4.95 120.40 125.63 3mjk s VAL 167 Ca 0.65 -1.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 3mjk s VAL 167 Cb -0.30 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 3mjk s VAL 167 CO 0.25 0.18 0.37 -1.58 0.00 0.00 0.00 175.10 174.33 3mjk s GLN 168 N -1.97 3.92 0.06 2.72 0.74 -1.26 -1.29 119.66 122.59 3mjk s GLN 168 Ca 0.19 0.33 0.04 0.00 0.05 0.00 0.00 55.36 55.97 3mjk s GLN 168 Cb -0.11 -3.25 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 3mjk s GLN 168 CO 0.11 0.63 -0.11 0.08 -0.55 0.00 0.00 175.29 175.46 3mjk s VAL 169 N -0.84 0.83 -0.10 1.34 1.01 -0.17 -4.86 120.40 117.61 3mjk s VAL 169 Ca 0.22 -1.29 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 3mjk s VAL 169 Cb -0.16 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3mjk s VAL 169 CO 0.11 -0.37 0.21 -0.60 0.00 0.00 0.00 175.10 174.45 3mjk s ARG 170 N -1.93 3.64 -0.07 2.72 3.52 -1.26 -1.85 118.95 123.71 3mjk s ARG 170 Ca -0.04 0.00 0.04 0.00 -0.13 0.00 0.00 55.73 55.61 3mjk s ARG 170 Cb -0.08 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 3mjk s ARG 170 CO 0.01 0.71 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.49 3mjk s LEU 171 N -0.89 1.95 -0.15 -0.88 1.43 0.44 -4.97 118.68 115.61 3mjk s LEU 171 Ca 0.17 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 3mjk s LEU 171 Cb -0.13 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 3mjk s LEU 171 CO 0.06 0.15 0.09 -0.70 0.23 0.00 0.00 176.35 176.18 3mjk s GLU 172 N 0.25 3.71 -0.00 1.70 2.12 -1.26 -1.85 118.70 123.38 3mjk s GLU 172 Ca -0.12 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 54.96 3mjk s GLU 172 Cb -0.15 -3.19 -0.00 0.00 0.26 0.00 0.00 34.13 31.04 3mjk s GLU 172 CO 0.05 0.50 -0.01 -1.21 -0.54 0.00 0.00 175.26 174.06 3mjk s GLU 173 N -0.26 0.10 0.02 4.30 2.02 0.19 -4.65 118.70 120.42 3mjk s GLU 173 Ca 0.09 -0.05 -0.05 0.00 0.02 0.00 0.00 54.97 54.98 3mjk s GLU 173 Cb -0.12 -0.09 -0.05 0.00 0.10 0.00 0.00 34.13 33.98 3mjk s GLU 173 CO 0.01 0.02 0.26 -1.01 0.02 0.00 0.00 175.26 174.57 3mjk s HIS 174 N -0.05 3.56 -0.01 1.61 3.76 0.05 -0.10 115.29 124.11 3mjk s HIS 174 Ca 0.00 0.51 0.02 0.00 -0.15 0.00 0.00 55.06 55.44 3mjk s HIS 174 Cb -0.01 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.71 3mjk s HIS 174 CO -0.00 0.60 0.03 1.28 -0.85 0.00 0.00 174.74 175.80 3mjk n LEU 175 N 0.90 0.00 -3.72 0.89 4.77 -0.43 -4.62 117.00 114.79 3mjk n LEU 175 Ca -0.10 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 3mjk n LEU 175 Cb 0.52 0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 3mjk n LEU 175 CO 0.43 0.02 0.10 -1.61 -1.33 0.00 0.00 177.39 175.01 3mjk s GLU 176 N -2.12 0.64 0.23 3.23 2.02 -1.23 -4.96 118.70 116.52 3mjk s GLU 176 Ca -0.01 0.19 0.02 0.00 0.02 0.00 0.00 54.97 55.19 3mjk s GLU 176 Cb 0.01 0.30 -0.05 0.00 0.10 0.00 0.00 34.13 34.49 3mjk s GLU 176 CO 0.10 -0.15 0.05 0.00 0.02 0.00 0.00 175.26 175.29 3mjk s ALA 178 N -3.66 -1.91 -0.25 0.00 0.00 0.92 -4.79 121.76 112.07 3mjk s ALA 178 Ca 0.33 1.59 -0.28 0.00 0.00 0.00 0.00 51.96 53.60 3mjk s ALA 178 Cb 0.07 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3mjk s ALA 178 CO 0.10 -0.31 0.99 0.00 0.00 0.00 0.00 175.76 176.54 3mjk s ALA 180 N 3.18 1.01 0.61 0.00 0.00 -0.61 -4.93 121.76 121.02 3mjk s ALA 180 Ca 0.42 -0.52 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 3mjk s ALA 180 Cb -0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3mjk s ALA 180 CO 0.08 0.24 1.26 -0.08 0.00 0.00 0.00 175.76 177.26 3mjk s THR 181 N -0.25 2.30 0.00 0.00 -1.32 -1.26 -2.97 115.64 112.14 3mjk s THR 181 Ca 0.04 0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 3mjk s THR 181 Cb -0.05 -3.08 0.00 0.00 -1.51 0.00 0.00 72.50 67.86 3mjk s THR 181 CO -0.00 -0.04 0.00 1.07 -2.21 0.00 0.00 174.62 173.44