#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i n SER 10 N 0.00 -5.35 0.28 6.43 7.64 -1.26 -4.83 113.62 116.53 1s1i n SER 10 Ca 0.00 0.18 -0.15 0.00 1.01 0.00 0.00 58.87 59.91 1s1i n SER 10 Cb 0.00 -3.50 -0.08 0.00 -1.01 0.00 0.00 64.21 59.62 1s1i n SER 10 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1s1i h ASP 11 N 0.00 -0.62 0.00 6.43 1.82 -1.86 -3.49 116.42 118.70 1s1i h ASP 11 Ca -0.15 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 1s1i h ASP 11 Cb 0.97 0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1s1i h ASP 11 CO 0.22 -0.28 0.00 0.54 -1.61 0.00 0.00 179.24 178.11 1s1i n ARG 12 N -5.32 0.00 -0.07 0.28 1.74 -1.26 -4.94 116.66 107.10 1s1i n ARG 12 Ca -0.11 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.89 1s1i n ARG 12 Cb 0.33 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.76 1s1i n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s1i h ARG 13 N 0.00 0.15 -7.10 5.56 3.08 -2.00 -3.41 114.38 110.66 1s1i h ARG 13 Ca 0.00 -0.01 -0.50 0.00 0.07 0.00 0.00 59.98 59.54 1s1i h ARG 13 Cb 0.00 -0.03 0.21 0.00 0.08 0.00 0.00 29.97 30.23 1s1i h ARG 13 CO 0.00 0.10 -0.08 1.63 -1.07 0.00 0.00 179.97 180.55 1s1i n LYS 14 N -5.09 -0.88 -3.20 0.04 4.76 -1.26 0.77 118.16 113.29 1s1i n LYS 14 Ca -0.01 -0.21 -0.12 0.00 -2.87 0.00 0.00 58.31 55.10 1s1i n LYS 14 Cb 0.12 -2.18 0.01 0.00 -1.84 0.00 0.00 35.03 31.13 1s1i n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s1i n ALA 15 N -4.27 -2.68 0.00 7.82 0.00 -1.26 -4.20 120.51 115.92 1s1i n ALA 15 Ca 0.08 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1s1i n ALA 15 Cb 0.53 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1s1i n ALA 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s1i n ARG 16 N -1.31 0.00 0.05 0.00 0.00 -1.20 -4.47 116.66 109.73 1s1i n ARG 16 Ca -0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.69 1s1i n ARG 16 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.94 1s1i n ARG 16 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1s1i h LYS 17 N 0.00 -0.06 -4.27 -0.14 2.10 0.13 -2.86 116.57 111.47 1s1i h LYS 17 Ca 0.00 0.00 -0.75 0.00 -2.00 0.00 0.00 60.65 57.90 1s1i h LYS 17 Cb 0.00 0.01 -0.23 0.00 -0.90 0.00 0.00 32.23 31.12 1s1i h LYS 17 CO 0.00 0.02 0.54 0.00 -2.00 0.00 0.00 179.45 178.01 1s1i s ALA 18 N -5.92 3.96 0.00 0.07 0.00 -1.26 -3.71 121.76 114.89 1s1i s ALA 18 Ca -0.14 -3.24 0.00 0.00 0.00 0.00 0.00 51.96 48.58 1s1i s ALA 18 Cb 0.05 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1s1i s ALA 18 CO 0.66 -2.55 0.00 0.98 0.00 0.00 0.00 175.76 174.85 1s1i n TYR 19 N 4.77 -0.02 -0.13 0.00 4.19 -1.09 -4.49 117.16 120.40 1s1i n TYR 19 Ca 0.21 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.40 1s1i n TYR 19 Cb 0.46 0.00 0.21 0.00 0.49 0.00 0.00 39.34 40.50 1s1i n TYR 19 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1s1i h PHE 20 N 0.00 0.84 -2.51 2.98 0.04 -1.70 -3.09 116.94 113.50 1s1i h PHE 20 Ca 0.00 -0.06 -0.80 0.00 2.80 0.00 0.00 57.97 59.91 1s1i h PHE 20 Cb 0.00 -0.25 -0.26 0.00 2.20 0.00 0.00 35.95 37.64 1s1i h PHE 20 CO 0.00 0.68 1.06 2.41 -0.60 0.00 0.00 178.31 181.86 1s1i n THR 21 N -4.30 5.39 0.00 -1.55 -1.04 -1.24 -4.92 114.28 106.62 1s1i n THR 21 Ca 0.04 -5.70 0.00 0.00 -2.04 0.00 0.00 64.05 56.35 1s1i n THR 21 Cb 0.20 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 1s1i n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s1i n ALA 22 N 1.34 0.00 -2.91 2.41 0.00 -1.17 -4.89 120.51 115.29 1s1i n ALA 22 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.64 1s1i n ALA 22 Cb 0.32 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.81 1s1i n ALA 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1s1i n PRO 23 N -0.76 0.67 0.00 0.00 -0.04 -1.26 -4.50 135.00 129.11 1s1i n PRO 23 Ca 0.00 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 1s1i n PRO 23 Cb 0.00 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1s1i n PRO 23 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1s1i n SER 24 N -2.69 0.06 -0.01 3.54 7.64 -1.26 -2.87 113.62 118.05 1s1i n SER 24 Ca 0.09 -1.79 -0.01 0.00 1.01 0.00 0.00 58.87 58.17 1s1i n SER 24 Cb 0.34 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.50 1s1i n SER 24 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1s1i n SER 25 N -0.46 4.20 0.21 6.43 2.88 -1.26 -4.66 113.62 120.96 1s1i n SER 25 Ca 0.00 -0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.62 1s1i n SER 25 Cb 0.02 0.17 0.42 0.00 -0.75 0.00 0.00 64.21 64.06 1s1i n SER 25 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1s1i h GLN 26 N 0.00 0.00 0.00 -1.46 4.15 -1.85 -3.23 115.11 112.72 1s1i h GLN 26 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1s1i h GLN 26 Cb 1.05 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.74 1s1i h GLN 26 CO -0.00 0.27 -0.00 0.07 -1.93 0.00 0.00 178.83 177.24 1s1i h ARG 27 N 0.00 0.00 -0.58 1.69 -0.00 -1.75 0.80 114.38 114.54 1s1i h ARG 27 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 59.98 60.06 1s1i h ARG 27 Cb 0.79 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.70 1s1i h ARG 27 CO 0.04 0.00 0.22 0.07 -0.00 0.00 0.00 179.97 180.29 1s1i h ARG 28 N 0.00 0.39 -7.20 0.08 0.11 -1.88 -3.22 114.38 102.66 1s1i h ARG 28 Ca -0.00 -0.02 -0.48 0.00 0.10 0.00 0.00 59.98 59.57 1s1i h ARG 28 Cb 0.01 -0.09 0.03 0.00 1.11 0.00 0.00 29.97 31.03 1s1i h ARG 28 CO 0.00 0.26 0.36 0.14 0.10 0.00 0.00 179.97 180.83 1s1i s VAL 29 N -6.10 4.60 0.00 0.08 -7.23 0.27 -2.34 120.40 109.68 1s1i s VAL 29 Ca -0.13 1.07 0.00 0.00 -1.81 0.00 0.00 61.98 61.11 1s1i s VAL 29 Cb 0.16 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.34 1s1i s VAL 29 CO 0.74 -0.79 0.00 -0.11 -0.31 0.00 0.00 175.10 174.63 1s1i n LEU 30 N -1.86 0.00 -4.03 1.32 0.00 -1.26 -4.91 117.00 106.26 1s1i n LEU 30 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.73 1s1i n LEU 30 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.84 1s1i n LEU 30 CO 0.49 0.00 -0.07 -0.76 0.00 0.00 0.00 177.39 177.05 1s1i s LEU 31 N 0.00 4.84 -0.04 -1.96 1.43 -0.99 -4.64 118.68 117.32 1s1i s LEU 31 Ca 0.00 -2.88 -0.06 0.00 -1.03 0.00 0.00 54.13 50.16 1s1i s LEU 31 Cb 0.00 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1s1i s LEU 31 CO 0.00 -0.32 0.15 -0.94 0.23 0.00 0.00 176.35 175.47 1s1i s SER 32 N 0.32 -0.09 0.27 2.29 1.04 -1.26 -4.31 113.70 111.95 1s1i s SER 32 Ca 0.16 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.74 1s1i s SER 32 Cb -0.23 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 1s1i s SER 32 CO -0.02 -0.17 0.12 0.00 0.98 0.00 0.00 173.24 174.15 1s1i s ALA 33 N -0.45 1.77 0.71 5.32 0.00 0.11 -4.21 121.76 125.01 1s1i s ALA 33 Ca -0.05 -1.81 -0.11 0.00 0.00 0.00 0.00 51.96 49.99 1s1i s ALA 33 Cb -0.04 1.11 0.01 0.00 0.00 0.00 0.00 23.12 24.21 1s1i s ALA 33 CO 0.01 -0.49 1.07 -2.14 0.00 0.00 0.00 175.76 174.21 1s1i s PRO 34 N -3.97 2.85 0.69 0.00 0.02 -1.26 -0.60 135.00 132.74 1s1i s PRO 34 Ca 0.37 0.75 -0.03 0.00 0.02 0.00 0.00 61.00 62.11 1s1i s PRO 34 Cb 0.07 -2.00 0.14 0.00 0.02 0.00 0.00 34.50 32.73 1s1i s PRO 34 CO 0.15 -1.11 0.95 1.28 -0.33 0.00 0.00 177.00 177.94 1s1i n LEU 35 N -3.11 0.00 0.00 -5.54 4.32 -1.11 0.22 117.00 111.78 1s1i n LEU 35 Ca 0.07 -1.76 0.00 0.00 -0.02 0.00 0.00 56.01 54.30 1s1i n LEU 35 Cb 0.55 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 1s1i n LEU 35 CO 0.57 -1.01 0.00 -1.54 -1.22 0.00 0.00 177.39 174.18 1s1i n SER 36 N -3.08 -0.00 -1.65 -1.43 3.41 0.98 -4.28 113.62 107.57 1s1i n SER 36 Ca 0.15 -0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.59 1s1i n SER 36 Cb 0.52 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.59 1s1i n SER 36 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1s1i n LYS 37 N -0.00 2.58 0.00 4.33 -0.00 -1.26 -3.29 118.16 120.51 1s1i n LYS 37 Ca 0.00 -3.55 0.00 0.00 -0.00 0.00 0.00 58.31 54.76 1s1i n LYS 37 Cb 0.00 -2.05 0.00 0.00 -0.00 0.00 0.00 35.03 32.98 1s1i n LYS 37 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1s1i n GLU 38 N -0.95 0.04 0.21 -1.58 -0.00 -1.26 -4.73 120.64 112.37 1s1i n GLU 38 Ca 0.42 0.00 0.09 0.00 -0.00 0.00 0.00 57.16 57.67 1s1i n GLU 38 Cb 0.94 -0.53 0.39 0.00 -0.00 0.00 0.00 31.44 32.25 1s1i n GLU 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1s1i h LEU 39 N 0.00 0.00 -0.54 -1.84 5.85 -1.93 -2.86 115.31 114.00 1s1i h LEU 39 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1s1i h LEU 39 Cb 0.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1s1i h LEU 39 CO 0.00 0.25 0.24 0.08 -0.34 0.00 0.00 178.44 178.67 1s1i h ARG 40 N 0.00 0.79 0.00 1.25 -0.00 -1.80 -3.41 114.38 111.21 1s1i h ARG 40 Ca -0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 59.98 59.85 1s1i h ARG 40 Cb 0.84 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 30.68 1s1i h ARG 40 CO 0.03 0.67 0.00 0.00 -0.00 0.00 0.00 179.97 180.68 1s1i n ALA 41 N -2.34 0.00 -2.17 0.08 0.00 -1.08 -2.94 120.51 112.07 1s1i n ALA 41 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 1s1i n ALA 41 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1s1i n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i n GLN 42 N -0.48 -1.64 0.00 0.00 10.64 -1.22 -4.55 117.38 120.13 1s1i n GLN 42 Ca 0.00 1.05 0.00 0.00 -1.83 0.00 0.00 57.00 56.22 1s1i n GLN 42 Cb 0.00 -5.63 0.00 0.00 -0.86 0.00 0.00 30.24 23.75 1s1i n GLN 42 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 1s1i n TYR 43 N -3.51 0.00 -2.43 2.61 4.11 -1.26 -4.97 117.16 111.71 1s1i n TYR 43 Ca -0.23 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.32 1s1i n TYR 43 Cb 0.68 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 40.00 1s1i n TYR 43 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1s1i s GLY 44 N 0.00 2.59 0.00 -7.48 0.00 -1.25 -4.61 107.32 96.57 1s1i s GLY 44 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.43 1s1i s GLY 44 CO 0.00 1.06 0.00 4.51 0.00 0.00 0.00 173.10 178.67 1s1i n ILE 45 N -0.96 0.00 -0.04 0.90 0.00 -1.15 -4.85 119.36 113.26 1s1i n ILE 45 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 62.75 62.74 1s1i n ILE 45 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 39.64 40.18 1s1i n ILE 45 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1s1i h LYS 46 N 0.00 0.70 -3.98 9.51 5.09 -1.93 -3.42 116.57 122.54 1s1i h LYS 46 Ca 0.00 -0.41 -0.11 0.00 0.09 0.00 0.00 60.65 60.22 1s1i h LYS 46 Cb 0.00 0.03 -0.14 0.00 0.10 0.00 0.00 32.23 32.22 1s1i h LYS 46 CO 0.00 1.03 -0.45 0.00 -2.09 0.00 0.00 179.45 177.94 1s1i s ALA 47 N -4.15 0.10 0.30 0.07 0.00 -1.26 -2.76 121.76 114.06 1s1i s ALA 47 Ca -0.09 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.05 1s1i s ALA 47 Cb 0.11 0.57 -0.06 0.00 0.00 0.00 0.00 23.12 23.74 1s1i s ALA 47 CO 0.86 -0.51 -0.04 -0.51 0.00 0.00 0.00 175.76 175.56 1s1i s LEU 48 N -2.92 2.49 0.57 0.00 1.43 0.23 -4.91 118.68 115.57 1s1i s LEU 48 Ca 0.10 -1.24 0.36 0.00 -1.03 0.00 0.00 54.13 52.32 1s1i s LEU 48 Cb 0.05 -0.65 1.55 0.00 0.03 0.00 0.00 46.19 47.18 1s1i s LEU 48 CO -0.07 -0.38 2.05 1.55 0.23 0.00 0.00 176.35 179.73 1s1i h PRO 49 N 2.18 0.00 -2.14 1.29 0.13 -1.85 0.32 132.00 131.94 1s1i h PRO 49 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1s1i h PRO 49 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1s1i h PRO 49 CO 0.69 0.00 -0.41 -0.89 -0.23 0.00 0.00 178.00 177.17 1s1i n ILE 50 N -3.08 -5.33 -4.43 -3.56 5.41 -1.26 -4.10 119.36 103.01 1s1i n ILE 50 Ca -0.00 1.33 -0.21 0.00 1.00 0.00 0.00 62.75 64.86 1s1i n ILE 50 Cb 0.26 -2.91 -0.10 0.00 -0.71 0.00 0.00 39.64 36.18 1s1i n ILE 50 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1s1i s ARG 51 N -2.50 1.58 0.21 0.38 3.52 -1.26 -4.99 118.95 115.89 1s1i s ARG 51 Ca 0.00 -1.84 -0.08 0.00 -0.13 0.00 0.00 55.73 53.68 1s1i s ARG 51 Cb 0.00 -1.00 0.16 0.00 -1.56 0.00 0.00 34.95 32.55 1s1i s ARG 51 CO 0.00 -0.07 1.80 -0.09 -0.81 0.00 0.00 175.30 176.13 1s1i h ARG 52 N 2.21 1.15 -4.01 5.12 2.43 -1.96 -3.19 114.38 116.13 1s1i h ARG 52 Ca -0.40 -0.17 -0.77 0.00 -0.81 0.00 0.00 59.98 57.82 1s1i h ARG 52 Cb 1.24 -0.21 -0.25 0.00 -0.42 0.00 0.00 29.97 30.33 1s1i h ARG 52 CO 0.69 0.89 0.47 -0.51 -1.51 0.00 0.00 179.97 179.99 1s1i s ASP 53 N -6.23 6.98 0.00 -3.80 1.01 -1.26 -3.72 116.67 109.64 1s1i s ASP 53 Ca -0.13 -2.96 0.00 0.00 0.71 0.00 0.00 52.55 50.18 1s1i s ASP 53 Cb 0.16 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1s1i s ASP 53 CO 0.82 -0.56 0.00 -0.67 0.21 0.00 0.00 175.17 174.98 1s1i n ASP 54 N 4.07 0.00 -4.01 0.27 2.03 -1.21 -0.11 116.55 117.60 1s1i n ASP 54 Ca 0.21 -0.65 -0.09 0.00 0.52 0.00 0.00 54.79 54.79 1s1i n ASP 54 Cb 0.44 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.75 1s1i n ASP 54 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1s1i s GLU 55 N -0.94 0.85 0.33 -0.67 2.12 0.89 -4.09 118.70 117.19 1s1i s GLU 55 Ca 0.00 -1.18 0.02 0.00 0.36 0.00 0.00 54.97 54.18 1s1i s GLU 55 Cb 0.00 0.29 -0.02 0.00 0.26 0.00 0.00 34.13 34.66 1s1i s GLU 55 CO 0.00 -0.25 0.36 0.08 -0.54 0.00 0.00 175.26 174.92 1s1i s VAL 56 N -3.94 0.00 -0.01 3.70 1.01 -1.25 -3.06 120.40 116.85 1s1i s VAL 56 Ca 0.12 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.29 1s1i s VAL 56 Cb 0.06 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1s1i s VAL 56 CO -0.06 0.00 -0.02 -1.48 0.00 0.00 0.00 175.10 173.54 1s1i s LEU 57 N -3.30 1.88 0.01 3.92 0.05 0.92 -4.41 118.68 117.75 1s1i s LEU 57 Ca 0.36 -0.03 -0.24 0.00 0.05 0.00 0.00 54.13 54.27 1s1i s LEU 57 Cb 0.01 -0.12 -0.17 0.00 -2.05 0.00 0.00 46.19 43.86 1s1i s LEU 57 CO 0.23 0.01 1.35 1.62 -0.55 0.00 0.00 176.35 179.01 1s1i h VAL 58 N 5.26 1.33 -1.59 1.48 3.04 -1.82 -1.21 116.25 122.76 1s1i h VAL 58 Ca -0.28 -1.07 0.00 0.00 -1.01 0.00 0.00 66.70 64.34 1s1i h VAL 58 Cb 1.19 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 1s1i h VAL 58 CO 0.50 0.29 -0.11 0.55 -1.01 0.00 0.00 177.57 177.79 1s1i n VAL 59 N -4.78 -0.25 -0.56 1.51 3.14 -1.26 -3.42 118.33 112.71 1s1i n VAL 59 Ca -0.07 0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1s1i n VAL 59 Cb 0.26 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 1s1i n VAL 59 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1s1i n ARG 60 N 0.71 0.00 -2.34 1.45 3.00 -1.25 -4.34 116.66 113.88 1s1i n ARG 60 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 1s1i n ARG 60 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.49 1s1i n ARG 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1s1i s GLY 61 N 0.00 2.88 0.00 5.14 0.00 -1.26 -3.55 107.32 110.53 1s1i s GLY 61 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1s1i s GLY 61 CO 0.00 1.46 0.00 -1.26 0.00 0.00 0.00 173.10 173.30 1s1i n SER 62 N 0.21 0.00 -3.87 1.64 2.88 -1.26 -4.58 113.62 108.65 1s1i n SER 62 Ca 0.04 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.29 1s1i n SER 62 Cb 0.46 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.76 1s1i n SER 62 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1s1i s LYS 63 N 0.00 1.30 -0.08 -1.46 0.00 -1.26 -5.10 119.74 113.14 1s1i s LYS 63 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 55.97 55.46 1s1i s LYS 63 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 37.83 35.77 1s1i s LYS 63 CO 0.00 -0.48 -0.20 0.21 0.00 0.00 0.00 175.35 174.88 1s1i s LYS 64 N 1.65 2.47 0.00 1.78 2.36 -1.23 -3.97 119.74 122.80 1s1i s LYS 64 Ca -0.00 -0.70 0.00 0.00 -2.55 0.00 0.00 55.97 52.71 1s1i s LYS 64 Cb -0.16 -1.94 0.00 0.00 -1.05 0.00 0.00 37.83 34.69 1s1i s LYS 64 CO -0.07 0.14 0.00 0.41 1.55 0.00 0.00 175.35 177.38 1s1i n GLY 65 N 3.56 0.69 2.95 5.54 0.00 -1.26 -4.90 105.19 111.77 1s1i n GLY 65 Ca -0.20 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 1s1i n GLY 65 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s1i s GLN 66 N -0.62 0.43 0.03 1.61 -2.07 -1.26 -4.86 119.66 112.92 1s1i s GLN 66 Ca 0.00 -0.18 -0.17 0.00 -1.82 0.00 0.00 55.36 53.20 1s1i s GLN 66 Cb 0.00 -0.43 0.03 0.00 -1.09 0.00 0.00 33.01 31.52 1s1i s GLN 66 CO 0.00 0.10 0.38 -1.21 -1.32 0.00 0.00 175.29 173.23 1s1i s GLU 67 N -0.05 0.84 0.32 9.60 0.41 -1.26 -2.78 118.70 125.78 1s1i s GLU 67 Ca 0.01 -0.33 0.06 0.00 -0.41 0.00 0.00 54.97 54.30 1s1i s GLU 67 Cb -0.03 0.37 -0.03 0.00 -1.78 0.00 0.00 34.13 32.66 1s1i s GLU 67 CO -0.00 -0.27 0.24 0.20 -0.49 0.00 0.00 175.26 174.94 1s1i s GLY 68 N -1.82 2.24 0.82 -1.39 0.00 -1.26 -4.91 107.32 101.00 1s1i s GLY 68 Ca -0.07 -1.94 -0.14 0.00 0.00 0.00 0.00 44.72 42.56 1s1i s GLY 68 CO -0.00 -1.50 0.67 0.28 0.00 0.00 0.00 173.10 172.55 1s1i n LYS 69 N -0.60 0.07 -0.11 2.90 5.02 -1.26 -3.97 118.16 120.22 1s1i n LYS 69 Ca 0.05 0.08 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 1s1i n LYS 69 Cb 0.63 -2.00 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1s1i n LYS 69 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1s1i h ILE 70 N -0.91 1.24 -6.18 -0.18 2.10 -1.71 -2.03 117.51 109.84 1s1i h ILE 70 Ca -0.45 -0.84 -0.44 0.00 1.08 0.00 0.00 64.86 64.20 1s1i h ILE 70 Cb 1.31 1.17 0.02 0.00 -1.09 0.00 0.00 36.82 38.23 1s1i h ILE 70 CO 0.41 0.28 -0.79 -0.24 -1.08 0.00 0.00 178.15 176.72 1s1i n SER 71 N -4.60 -3.00 -2.69 2.19 2.88 -1.24 -1.44 113.62 105.73 1s1i n SER 71 Ca -0.02 -0.79 0.03 0.00 -1.33 0.00 0.00 58.87 56.75 1s1i n SER 71 Cb 0.23 -4.01 0.01 0.00 -0.75 0.00 0.00 64.21 59.68 1s1i n SER 71 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1s1i n SER 72 N -2.96 -0.58 -0.88 -3.46 2.88 -1.26 -4.47 113.62 102.89 1s1i n SER 72 Ca -0.13 -1.03 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 1s1i n SER 72 Cb 0.61 0.88 0.00 0.00 -0.75 0.00 0.00 64.21 64.94 1s1i n SER 72 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1s1i n VAL 73 N -0.55 0.00 -2.29 2.46 0.31 -1.26 -3.99 118.33 113.01 1s1i n VAL 73 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1s1i n VAL 73 Cb 0.32 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1s1i n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s1i n TYR 74 N 0.00 0.00 0.00 3.52 0.18 -1.18 -4.06 117.16 115.62 1s1i n TYR 74 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1s1i n TYR 74 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1s1i n TYR 74 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1s1i n ARG 75 N 0.00 0.00 0.21 -3.48 1.74 -1.26 -4.90 116.66 108.97 1s1i n ARG 75 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1s1i n ARG 75 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1s1i n ARG 75 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1s1i h LEU 76 N 0.00 -0.40 -9.72 0.55 5.85 -1.98 -3.32 115.31 106.29 1s1i h LEU 76 Ca 0.00 0.01 -0.52 0.00 0.84 0.00 0.00 57.88 58.21 1s1i h LEU 76 Cb 0.00 0.10 0.05 0.00 0.37 0.00 0.00 40.66 41.18 1s1i h LEU 76 CO 0.00 -0.28 0.71 -1.59 -0.34 0.00 0.00 178.44 176.94 1s1i s LYS 77 N -6.09 4.32 -1.01 1.25 -2.85 -1.26 -4.88 119.74 109.22 1s1i s LYS 77 Ca -0.15 2.19 -0.11 0.00 -1.00 0.00 0.00 55.97 56.90 1s1i s LYS 77 Cb 0.05 -3.15 0.26 0.00 -2.06 0.00 0.00 37.83 32.93 1s1i s LYS 77 CO 0.64 -0.34 0.99 -0.06 0.10 0.00 0.00 175.35 176.67 1s1i s PHE 78 N 0.05 4.09 0.15 1.78 0.40 -1.25 -4.63 117.98 118.58 1s1i s PHE 78 Ca 0.58 -2.46 -0.10 0.00 -0.60 0.00 0.00 56.93 54.35 1s1i s PHE 78 Cb -0.39 -3.82 -0.00 0.00 0.51 0.00 0.00 43.02 39.31 1s1i s PHE 78 CO 0.41 -0.96 0.30 0.00 0.70 0.00 0.00 175.22 175.66 1s1i s ALA 79 N -0.77 -0.15 0.21 5.36 0.00 -1.26 -4.52 121.76 120.63 1s1i s ALA 79 Ca 0.26 -0.76 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 1s1i s ALA 79 Cb -0.10 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1s1i s ALA 79 CO -0.08 -0.64 0.28 0.54 0.00 0.00 0.00 175.76 175.86 1s1i s VAL 80 N -3.94 0.01 0.29 0.00 0.11 -1.24 -3.08 120.40 112.55 1s1i s VAL 80 Ca 0.14 -1.68 0.04 0.00 -2.93 0.00 0.00 61.98 57.56 1s1i s VAL 80 Cb 0.03 -2.27 0.04 0.00 -1.53 0.00 0.00 36.38 32.66 1s1i s VAL 80 CO -0.02 -0.07 0.35 1.67 -3.33 0.00 0.00 175.10 173.70 1s1i n GLN 81 N -0.30 0.88 -0.10 1.54 7.27 -1.25 -2.39 117.38 123.03 1s1i n GLN 81 Ca -0.01 -1.64 0.00 0.00 0.07 0.00 0.00 57.00 55.42 1s1i n GLN 81 Cb 0.64 -0.03 0.00 0.00 2.41 0.00 0.00 30.24 33.26 1s1i n GLN 81 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1s1i n VAL 82 N -1.50 0.00 0.00 1.69 0.31 -0.52 -4.52 118.33 113.79 1s1i n VAL 82 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1s1i n VAL 82 Cb 0.31 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 1s1i n VAL 82 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1s1i n ASP 83 N -0.13 0.00 -3.93 4.52 5.75 -0.76 -4.30 116.55 117.70 1s1i n ASP 83 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.37 1s1i n ASP 83 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1s1i n ASP 83 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1s1i n LYS 84 N 0.00 2.35 -0.06 0.11 4.01 -1.26 -4.56 118.16 118.75 1s1i n LYS 84 Ca 0.00 -2.46 -0.12 0.00 -0.51 0.00 0.00 58.31 55.22 1s1i n LYS 84 Cb 0.00 -3.25 -0.06 0.00 -0.51 0.00 0.00 35.03 31.20 1s1i n LYS 84 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1s1i h VAL 85 N 4.64 1.31 -4.68 -0.18 3.04 -1.93 -3.47 116.25 114.98 1s1i h VAL 85 Ca 0.47 -1.09 -0.41 0.00 -1.01 0.00 0.00 66.70 64.65 1s1i h VAL 85 Cb 0.72 1.68 -0.12 0.00 -2.01 0.00 0.00 31.29 31.56 1s1i h VAL 85 CO 1.77 0.32 -0.41 0.42 -1.01 0.00 0.00 177.57 178.66 1s1i s THR 86 N -4.62 0.00 0.00 3.17 -4.23 -1.26 -4.75 115.64 103.95 1s1i s THR 86 Ca -0.14 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1s1i s THR 86 Cb 0.06 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1s1i s THR 86 CO 0.74 0.00 0.00 2.29 -0.54 0.00 0.00 174.62 177.11 1s1i n LYS 87 N -0.59 0.00 -1.34 3.99 -0.00 -1.25 -4.23 118.16 114.73 1s1i n LYS 87 Ca 0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.93 1s1i n LYS 87 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.64 1s1i n LYS 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1s1i n GLU 88 N 0.00 0.06 -4.06 -1.58 -0.58 -1.26 -3.41 120.64 109.80 1s1i n GLU 88 Ca 0.00 0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.65 1s1i n GLU 88 Cb 0.00 -1.05 -0.06 0.00 -0.57 0.00 0.00 31.44 29.76 1s1i n GLU 88 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1s1i s LYS 89 N -1.05 1.56 0.20 3.49 0.00 -1.26 -4.91 119.74 117.77 1s1i s LYS 89 Ca 0.61 -1.46 -0.06 0.00 0.00 0.00 0.00 55.97 55.06 1s1i s LYS 89 Cb -0.71 0.42 0.15 0.00 0.00 0.00 0.00 37.83 37.69 1s1i s LYS 89 CO 0.61 -0.63 1.62 -0.24 0.00 0.00 0.00 175.35 176.71 1s1i h VAL 90 N 2.30 1.27 -0.82 1.79 3.04 -1.95 -2.99 116.25 118.89 1s1i h VAL 90 Ca -0.29 -1.33 0.07 0.00 -1.01 0.00 0.00 66.70 64.15 1s1i h VAL 90 Cb 1.25 1.16 -0.05 0.00 -2.01 0.00 0.00 31.29 31.64 1s1i h VAL 90 CO 0.40 0.45 0.53 -1.13 -1.01 0.00 0.00 177.57 176.81 1s1i h ASN 91 N 0.73 0.77 0.00 3.17 -0.73 -2.01 -3.45 115.58 114.06 1s1i h ASN 91 Ca 0.10 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1s1i h ASN 91 Cb 0.73 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1s1i h ASN 91 CO 0.06 0.48 0.00 0.61 -0.37 0.00 0.00 177.43 178.21 1s1i n GLY 92 N -1.42 0.75 3.53 1.57 0.00 -1.13 -5.07 105.19 103.41 1s1i n GLY 92 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1s1i n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i s ALA 93 N -2.00 3.19 0.08 4.61 0.00 -1.26 -4.90 121.76 121.47 1s1i s ALA 93 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 1s1i s ALA 93 Cb 0.00 -1.83 -0.08 0.00 0.00 0.00 0.00 23.12 21.21 1s1i s ALA 93 CO 0.00 0.00 1.55 0.45 0.00 0.00 0.00 175.76 177.76 1s1i s SER 94 N 0.72 6.68 -0.05 0.00 0.15 -1.26 -4.57 113.70 115.37 1s1i s SER 94 Ca 0.01 2.42 0.02 0.00 0.70 0.00 0.00 55.95 59.10 1s1i s SER 94 Cb -0.14 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 1s1i s SER 94 CO 0.02 -0.81 -0.10 0.68 1.20 0.00 0.00 173.24 174.24 1s1i s VAL 95 N 2.09 0.91 0.80 4.45 -7.23 -1.22 -5.00 120.40 115.19 1s1i s VAL 95 Ca 0.70 -0.36 -0.11 0.00 -1.81 0.00 0.00 61.98 60.40 1s1i s VAL 95 Cb -0.38 -0.85 0.07 0.00 0.56 0.00 0.00 36.38 35.78 1s1i s VAL 95 CO 0.31 0.30 1.11 -2.84 -0.31 0.00 0.00 175.10 173.67 1s1i s PRO 96 N 0.62 2.00 -0.16 4.82 0.02 -1.26 -3.93 135.00 137.12 1s1i s PRO 96 Ca -0.11 1.30 -0.05 0.00 0.02 0.00 0.00 61.00 62.16 1s1i s PRO 96 Cb -0.14 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 1s1i s PRO 96 CO 0.02 -1.85 0.00 0.96 -0.33 0.00 0.00 177.00 175.80 1s1i s ILE 97 N -2.76 4.24 0.09 2.83 -4.36 -1.26 -4.83 121.20 115.14 1s1i s ILE 97 Ca 0.63 -0.23 -0.30 0.00 -0.26 0.00 0.00 60.65 60.49 1s1i s ILE 97 Cb -0.19 -2.87 -0.05 0.00 1.25 0.00 0.00 42.46 40.59 1s1i s ILE 97 CO 0.55 0.49 1.03 0.20 0.24 0.00 0.00 174.94 177.45 1s1i s ASN 98 N 0.31 7.35 0.01 4.36 0.01 -1.26 -4.77 114.94 120.95 1s1i s ASN 98 Ca -0.01 1.86 -0.03 0.00 -0.71 0.00 0.00 52.86 53.97 1s1i s ASN 98 Cb -0.13 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.93 1s1i s ASN 98 CO 0.02 -0.21 0.04 -1.48 -1.51 0.00 0.00 177.10 173.95 1s1i s LEU 99 N 0.35 1.97 0.00 0.60 0.05 -1.01 -4.92 118.68 115.73 1s1i s LEU 99 Ca 0.51 -0.39 0.00 0.00 0.05 0.00 0.00 54.13 54.30 1s1i s LEU 99 Cb -0.25 0.33 0.00 0.00 -2.05 0.00 0.00 46.19 44.22 1s1i s LEU 99 CO 0.30 -0.33 0.00 0.00 -0.55 0.00 0.00 176.35 175.77 1s1i n HIS 100 N 1.54 -1.02 -1.86 3.48 1.44 -1.26 -3.71 115.22 113.83 1s1i n HIS 100 Ca -0.24 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.11 1s1i n HIS 100 Cb 0.55 0.17 0.05 0.00 0.12 0.00 0.00 29.99 30.88 1s1i n HIS 100 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1s1i s PRO 101 N 0.00 2.74 0.00 -1.40 0.04 -1.26 -3.70 135.00 131.42 1s1i s PRO 101 Ca 0.00 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1s1i s PRO 101 Cb 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1s1i s PRO 101 CO 0.00 -1.43 0.00 0.43 0.04 0.00 0.00 177.00 176.04 1s1i n SER 102 N -1.75 0.00 -0.07 6.66 7.64 -1.26 -4.78 113.62 120.06 1s1i n SER 102 Ca 0.15 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.04 1s1i n SER 102 Cb 0.49 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 64.01 1s1i n SER 102 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1s1i h LYS 103 N 0.00 0.69 -7.41 1.43 5.09 -1.86 -3.45 116.57 111.05 1s1i h LYS 103 Ca 0.00 -0.07 -0.50 0.00 0.09 0.00 0.00 60.65 60.17 1s1i h LYS 103 Cb 0.00 -0.14 0.09 0.00 0.10 0.00 0.00 32.23 32.28 1s1i h LYS 103 CO 0.00 0.51 0.37 -0.48 -2.09 0.00 0.00 179.45 177.77 1s1i s LEU 104 N -9.49 2.84 0.08 7.07 2.34 -1.22 -4.23 118.68 116.08 1s1i s LEU 104 Ca -0.09 1.33 0.05 0.00 0.06 0.00 0.00 54.13 55.48 1s1i s LEU 104 Cb 0.17 -4.08 -0.03 0.00 -0.56 0.00 0.00 46.19 41.69 1s1i s LEU 104 CO 0.76 -1.59 -0.14 -0.69 -1.06 0.00 0.00 176.35 173.63 1s1i s VAL 105 N -3.19 1.13 -0.24 1.48 1.01 -0.46 -4.02 120.40 116.12 1s1i s VAL 105 Ca 0.59 -1.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1s1i s VAL 105 Cb -0.13 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1s1i s VAL 105 CO 0.54 -0.29 0.02 0.27 0.00 0.00 0.00 175.10 175.64 1s1i s ILE 106 N -1.54 3.88 -0.34 2.22 -4.36 0.13 -0.06 121.20 121.14 1s1i s ILE 106 Ca 0.01 -0.37 0.07 0.00 -0.26 0.00 0.00 60.65 60.09 1s1i s ILE 106 Cb -0.08 -2.82 0.45 0.00 1.25 0.00 0.00 42.46 41.25 1s1i s ILE 106 CO 0.02 0.34 1.16 1.07 0.24 0.00 0.00 174.94 177.78 1s1i n THR 107 N 4.86 2.47 0.00 8.37 5.66 -1.17 -0.01 114.28 134.45 1s1i n THR 107 Ca -0.17 -4.43 0.00 0.00 -3.05 0.00 0.00 64.05 56.40 1s1i n THR 107 Cb 0.51 -1.16 0.00 0.00 -1.55 0.00 0.00 70.33 68.13 1s1i n THR 107 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1s1i n LYS 108 N -0.64 0.00 -4.53 1.09 0.00 -1.26 -4.82 118.16 108.00 1s1i n LYS 108 Ca 0.42 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.52 1s1i n LYS 108 Cb 0.87 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.75 1s1i n LYS 108 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1s1i s LEU 109 N 0.00 2.03 -0.32 3.14 0.20 -1.26 -0.07 118.68 122.39 1s1i s LEU 109 Ca 0.00 -0.23 -0.06 0.00 0.69 0.00 0.00 54.13 54.54 1s1i s LEU 109 Cb 0.00 -0.62 0.03 0.00 -0.43 0.00 0.00 46.19 45.17 1s1i s LEU 109 CO 0.00 0.14 0.08 -1.00 -0.29 0.00 0.00 176.35 175.28 1s1i s HIS 110 N -0.30 3.22 -0.60 5.38 3.76 0.85 -4.91 115.29 122.69 1s1i s HIS 110 Ca 0.05 -1.36 -0.10 0.00 -0.15 0.00 0.00 55.06 53.50 1s1i s HIS 110 Cb -0.05 -2.24 0.15 0.00 1.11 0.00 0.00 32.58 31.55 1s1i s HIS 110 CO -0.00 -0.70 0.48 -0.48 -0.85 0.00 0.00 174.74 173.19 1s1i s LEU 111 N 1.41 5.90 0.13 0.89 -0.00 -1.26 -4.74 118.68 121.01 1s1i s LEU 111 Ca -0.01 -2.30 -0.12 0.00 -0.00 0.00 0.00 54.13 51.70 1s1i s LEU 111 Cb -0.19 -2.04 -0.06 0.00 -0.00 0.00 0.00 46.19 43.90 1s1i s LEU 111 CO 0.02 -0.61 1.45 -0.78 -0.00 0.00 0.00 176.35 176.43 1s1i h ASP 112 N 8.01 0.97 -3.92 1.48 1.82 -1.96 -3.43 116.42 119.38 1s1i h ASP 112 Ca -0.10 -0.48 -0.51 0.00 -0.39 0.00 0.00 57.03 55.55 1s1i h ASP 112 Cb 1.04 -0.27 0.05 0.00 0.68 0.00 0.00 39.33 40.83 1s1i h ASP 112 CO 0.82 1.25 0.52 -0.54 -1.61 0.00 0.00 179.24 179.68 1s1i s LYS 113 N -4.33 4.15 0.15 0.28 3.01 -1.26 -4.91 119.74 116.82 1s1i s LYS 113 Ca -0.11 1.88 -0.14 0.00 -1.01 0.00 0.00 55.97 56.59 1s1i s LYS 113 Cb 0.11 -2.77 0.02 0.00 -1.01 0.00 0.00 37.83 34.17 1s1i s LYS 113 CO 0.88 -0.25 1.69 0.38 0.51 0.00 0.00 175.35 178.56 1s1i h ASP 114 N 2.84 0.66 -3.52 2.83 2.03 -2.03 -3.37 116.42 115.86 1s1i h ASP 114 Ca -0.49 -0.18 -0.67 0.00 -0.73 0.00 0.00 57.03 54.97 1s1i h ASP 114 Cb 1.23 -0.17 -0.28 0.00 -0.83 0.00 0.00 39.33 39.28 1s1i h ASP 114 CO 0.63 0.66 -0.68 -0.60 -1.03 0.00 0.00 179.24 178.22 1s1i s ARG 115 N -5.52 3.16 -1.07 4.15 6.06 -1.26 -5.00 118.95 119.48 1s1i s ARG 115 Ca -0.13 -0.78 -0.06 0.00 -2.50 0.00 0.00 55.73 52.25 1s1i s ARG 115 Cb 0.11 -3.16 0.28 0.00 0.06 0.00 0.00 34.95 32.24 1s1i s ARG 115 CO 0.77 -0.34 1.15 1.63 -2.50 0.00 0.00 175.30 176.01 1s1i n LYS 116 N 4.80 3.62 -3.95 5.12 4.76 -1.26 -4.67 118.16 126.58 1s1i n LYS 116 Ca -0.16 -4.49 -0.30 0.00 -2.87 0.00 0.00 58.31 50.49 1s1i n LYS 116 Cb 0.49 -2.51 -0.01 0.00 -1.84 0.00 0.00 35.03 31.16 1s1i n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s1i n ALA 117 N 2.23 -2.20 -3.90 7.82 0.00 -1.26 -1.97 120.51 121.23 1s1i n ALA 117 Ca 0.24 -0.32 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 1s1i n ALA 117 Cb 0.37 -2.13 0.02 0.00 0.00 0.00 0.00 19.45 17.71 1s1i n ALA 117 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1s1i n LEU 118 N -4.45 -1.58 -2.37 0.00 -0.00 -1.26 -4.78 117.00 102.56 1s1i n LEU 118 Ca -0.24 -1.15 -0.25 0.00 -0.00 0.00 0.00 56.01 54.36 1s1i n LEU 118 Cb 0.65 -2.01 -0.04 0.00 -0.00 0.00 0.00 43.42 42.03 1s1i n LEU 118 CO 0.74 0.62 1.52 2.30 -0.00 0.00 0.00 177.39 182.57 1s1i n ILE 119 N -4.60 3.22 -3.59 1.47 -5.35 -0.83 -4.51 119.36 105.17 1s1i n ILE 119 Ca -0.13 -2.73 -0.12 0.00 -0.27 0.00 0.00 62.75 59.50 1s1i n ILE 119 Cb 0.59 -1.55 -0.06 0.00 -1.74 0.00 0.00 39.64 36.88 1s1i n ILE 119 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1s1i s GLN 120 N -1.73 0.67 -1.46 6.28 -0.21 -1.26 -4.80 119.66 117.16 1s1i s GLN 120 Ca 0.54 0.35 -0.05 0.00 0.02 0.00 0.00 55.36 56.23 1s1i s GLN 120 Cb 0.36 0.32 0.04 0.00 1.00 0.00 0.00 33.01 34.73 1s1i s GLN 120 CO -0.18 -0.17 0.58 2.89 -2.12 0.00 0.00 175.29 176.29 1s1i n ARG 121 N 1.32 -3.76 -2.61 2.91 1.85 -1.26 -4.90 116.66 110.21 1s1i n ARG 121 Ca -0.13 0.45 -0.34 0.00 -1.00 0.00 0.00 57.85 56.84 1s1i n ARG 121 Cb 0.57 -4.83 -0.04 0.00 -1.05 0.00 0.00 32.46 27.11 1s1i n ARG 121 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1s1i s LYS 122 N -6.54 3.92 0.00 2.89 0.00 -1.26 -5.09 119.74 113.66 1s1i s LYS 122 Ca 0.20 1.28 0.00 0.00 0.00 0.00 0.00 55.97 57.45 1s1i s LYS 122 Cb -0.11 -2.12 0.00 0.00 0.00 0.00 0.00 37.83 35.61 1s1i s LYS 122 CO 0.88 -0.32 0.00 0.41 0.00 0.00 0.00 175.35 176.32