#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i n GLY 3 N 0.00 0.72 0.16 0.00 0.00 -1.26 -4.82 105.19 99.98 1s1i n GLY 3 Ca 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 1s1i n GLY 3 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1s1i h VAL 4 N 0.00 0.76 -4.01 1.61 -1.51 -1.99 -3.49 116.25 107.62 1s1i h VAL 4 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1s1i h VAL 4 Cb 0.00 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 1s1i h VAL 4 CO 0.00 0.00 -0.74 2.29 -1.23 0.00 0.00 177.57 177.89 1s1i n LYS 5 N -5.23 -4.14 -2.32 5.19 -0.00 -1.26 -4.48 118.16 105.92 1s1i n LYS 5 Ca -0.09 2.96 -0.36 0.00 -0.00 0.00 0.00 58.31 60.81 1s1i n LYS 5 Cb 0.15 -3.37 -0.04 0.00 -0.00 0.00 0.00 35.03 31.78 1s1i n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1i s ALA 6 N -1.28 2.32 0.23 0.58 0.00 -1.26 -2.92 121.76 119.43 1s1i s ALA 6 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1s1i s ALA 6 Cb 0.00 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.67 1s1i s ALA 6 CO 0.00 -3.96 0.00 0.98 0.00 0.00 0.00 175.76 172.78 1s1i n TYR 7 N 11.13 -2.92 -0.31 0.00 9.36 -1.26 -4.78 117.16 128.38 1s1i n TYR 7 Ca 0.27 0.69 -0.04 0.00 3.32 0.00 0.00 57.90 62.13 1s1i n TYR 7 Cb 0.50 1.80 0.08 0.00 -0.63 0.00 0.00 39.34 41.09 1s1i n TYR 7 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1s1i h GLU 8 N 0.00 1.18 -7.30 2.98 4.39 -1.75 -2.96 114.58 111.12 1s1i h GLU 8 Ca 0.00 -0.13 -0.50 0.00 0.34 0.00 0.00 59.36 59.06 1s1i h GLU 8 Cb 0.00 -0.23 0.07 0.00 -0.10 0.00 0.00 28.75 28.49 1s1i h GLU 8 CO 0.00 0.86 0.39 -0.51 -1.16 0.00 0.00 179.01 178.59 1s1i s LEU 9 N -9.94 3.29 0.00 1.33 1.43 -1.25 -2.30 118.68 111.23 1s1i s LEU 9 Ca -0.13 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 1s1i s LEU 9 Cb 0.16 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.88 1s1i s LEU 9 CO 0.82 -1.12 0.00 -1.14 0.23 0.00 0.00 176.35 175.14 1s1i n ARG 10 N -2.63 0.00 0.07 1.70 0.63 -1.26 -4.53 116.66 110.64 1s1i n ARG 10 Ca 0.07 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.83 1s1i n ARG 10 Cb 0.54 -0.24 -0.09 0.00 0.45 0.00 0.00 32.46 33.12 1s1i n ARG 10 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1s1i h THR 11 N 0.00 1.34 -4.19 5.15 1.03 -1.33 -3.46 112.91 111.45 1s1i h THR 11 Ca 0.00 -2.42 -0.51 0.00 -0.01 0.00 0.00 66.41 63.47 1s1i h THR 11 Cb 0.00 2.49 0.10 0.00 -1.07 0.00 0.00 68.15 69.67 1s1i h THR 11 CO 0.00 0.73 0.38 -0.54 -0.01 0.00 0.00 175.52 176.08 1s1i s LYS 12 N -3.19 2.83 0.80 0.00 3.01 -0.98 -5.01 119.74 117.20 1s1i s LYS 12 Ca -0.08 1.41 -0.11 0.00 -1.01 0.00 0.00 55.97 56.18 1s1i s LYS 12 Cb 0.07 -1.95 0.07 0.00 -1.01 0.00 0.00 37.83 35.01 1s1i s LYS 12 CO 0.90 -1.23 1.10 -1.54 0.51 0.00 0.00 175.35 175.08 1s1i s SER 13 N -2.53 4.45 0.18 2.83 1.04 -1.26 -4.80 113.70 113.62 1s1i s SER 13 Ca 0.67 1.29 -0.11 0.00 0.48 0.00 0.00 55.95 58.29 1s1i s SER 13 Cb -0.21 -2.02 0.09 0.00 0.10 0.00 0.00 66.02 63.98 1s1i s SER 13 CO 0.41 -1.99 1.73 0.11 0.98 0.00 0.00 173.24 174.47 1s1i h LYS 14 N -1.10 0.95 -0.64 4.02 1.57 -1.97 0.46 116.57 119.85 1s1i h LYS 14 Ca -0.47 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.06 1s1i h LYS 14 Cb 1.27 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1s1i h LYS 14 CO 0.59 0.82 0.16 1.05 -0.57 0.00 0.00 179.45 181.50 1s1i h GLU 15 N 0.89 1.01 -0.65 3.15 -0.00 -1.93 0.74 114.58 117.79 1s1i h GLU 15 Ca 0.21 -0.23 -0.06 0.00 -0.00 0.00 0.00 59.36 59.28 1s1i h GLU 15 Cb 0.23 -0.14 -0.03 0.00 -0.00 0.00 0.00 28.75 28.81 1s1i h GLU 15 CO -0.01 0.90 0.17 0.37 -0.00 0.00 0.00 179.01 180.43 1s1i h GLN 16 N 0.97 1.01 -0.62 1.06 5.75 -1.67 -1.07 115.11 120.54 1s1i h GLN 16 Ca 0.21 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1s1i h GLN 16 Cb 0.34 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 1s1i h GLN 16 CO 0.00 0.88 0.26 1.25 -2.65 0.00 0.00 178.83 178.57 1s1i h LEU 17 N 0.96 0.84 -6.49 -2.39 7.12 0.15 -1.34 115.31 114.17 1s1i h LEU 17 Ca 0.21 -0.16 -0.75 0.00 0.13 0.00 0.00 57.88 57.31 1s1i h LEU 17 Cb 0.32 -0.22 -0.14 0.00 -0.53 0.00 0.00 40.66 40.10 1s1i h LEU 17 CO -0.00 0.77 2.15 0.00 -0.13 0.00 0.00 178.44 181.23 1s1i n ALA 18 N -2.37 5.26 0.00 1.25 0.00 0.24 -3.73 120.51 121.17 1s1i n ALA 18 Ca 0.04 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.24 1s1i n ALA 18 Cb 0.16 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.53 1s1i n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1s1i n SER 19 N 4.39 0.00 -0.58 0.00 2.88 -0.51 -4.84 113.62 114.97 1s1i n SER 19 Ca 0.42 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.88 1s1i n SER 19 Cb 0.37 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.80 1s1i n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s1i n GLN 20 N -0.26 -1.58 0.00 -1.46 6.02 -1.26 -4.54 117.38 114.30 1s1i n GLN 20 Ca 0.00 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 1s1i n GLN 20 Cb 0.00 -5.05 0.00 0.00 1.02 0.00 0.00 30.24 26.21 1s1i n GLN 20 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1s1i n LEU 21 N -0.86 0.15 0.00 1.08 -0.00 -1.24 -4.39 117.00 111.74 1s1i n LEU 21 Ca -0.08 -0.23 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 1s1i n LEU 21 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1s1i n LEU 21 CO 0.12 0.04 -0.41 0.55 -0.00 0.00 0.00 177.39 177.68 1s1i n VAL 22 N -0.16 0.00 -0.17 1.47 3.14 -1.26 -4.49 118.33 116.87 1s1i n VAL 22 Ca 0.00 -0.06 -0.10 0.00 -2.96 0.00 0.00 64.34 61.22 1s1i n VAL 22 Cb 0.09 0.54 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 1s1i n VAL 22 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1s1i h ASP 23 N 0.00 0.90 -3.44 6.55 3.32 -1.88 -2.67 116.42 119.20 1s1i h ASP 23 Ca 0.00 -0.33 -0.63 0.00 0.02 0.00 0.00 57.03 56.08 1s1i h ASP 23 Cb 0.00 -0.24 -0.20 0.00 0.22 0.00 0.00 39.33 39.11 1s1i h ASP 23 CO 0.00 1.02 -0.61 -0.76 -1.72 0.00 0.00 179.24 177.17 1s1i s LEU 24 N -9.30 3.54 0.00 1.55 2.01 -1.26 -3.54 118.68 111.68 1s1i s LEU 24 Ca -0.12 -0.08 0.00 0.00 0.01 0.00 0.00 54.13 53.94 1s1i s LEU 24 Cb 0.12 -1.91 0.00 0.00 0.01 0.00 0.00 46.19 44.41 1s1i s LEU 24 CO 0.84 0.09 0.00 1.17 1.01 0.00 0.00 176.35 179.45 1s1i n LYS 25 N 4.09 0.00 0.12 1.70 3.00 -1.24 -4.30 118.16 121.53 1s1i n LYS 25 Ca -0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.01 1s1i n LYS 25 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.47 1s1i n LYS 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1s1i h LYS 26 N 0.00 -0.30 -5.12 1.64 1.57 -1.64 0.64 116.57 113.37 1s1i h LYS 26 Ca 0.00 0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 58.12 1s1i h LYS 26 Cb 0.00 0.07 -0.17 0.00 0.08 0.00 0.00 32.23 32.21 1s1i h LYS 26 CO 0.00 0.01 0.78 -2.00 -0.57 0.00 0.00 179.45 177.67 1s1i s GLU 27 N -4.81 3.50 0.00 3.15 2.56 -1.23 -0.13 118.70 121.73 1s1i s GLU 27 Ca -0.14 -1.57 0.00 0.00 0.00 0.00 0.00 54.97 53.25 1s1i s GLU 27 Cb 0.03 -4.79 0.00 0.00 2.00 0.00 0.00 34.13 31.36 1s1i s GLU 27 CO 0.58 -1.78 0.00 -0.11 -0.56 0.00 0.00 175.26 173.39 1s1i n LEU 28 N 6.80 0.00 -0.32 2.70 7.94 -1.24 -4.68 117.00 128.20 1s1i n LEU 28 Ca 0.18 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.11 1s1i n LEU 28 Cb 0.48 0.00 0.21 0.00 0.53 0.00 0.00 43.42 44.65 1s1i n LEU 28 CO 0.53 0.00 1.26 0.00 -1.11 0.00 0.00 177.39 178.07 1s1i h ALA 29 N 0.00 1.46 -0.32 1.96 0.00 -0.72 0.43 119.26 122.08 1s1i h ALA 29 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1s1i h ALA 29 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1s1i h ALA 29 CO 0.00 0.41 -0.01 1.49 0.00 0.00 0.00 179.25 181.14 1s1i h GLU 30 N 1.10 0.49 -0.17 0.00 4.81 -0.73 0.28 114.58 120.36 1s1i h GLU 30 Ca 0.40 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.39 1s1i h GLU 30 Cb 0.15 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1s1i h GLU 30 CO -0.14 0.53 -0.47 1.25 -0.73 0.00 0.00 179.01 179.44 1s1i h LEU 31 N 0.47 0.46 -0.35 1.64 6.46 -0.47 -3.04 115.31 120.47 1s1i h LEU 31 Ca 0.10 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 1s1i h LEU 31 Cb 0.32 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1s1i h LEU 31 CO 0.01 0.86 0.15 0.50 -0.62 0.00 0.00 178.44 179.35 1s1i h LYS 32 N 0.34 0.51 -7.19 1.25 3.11 0.17 -0.86 116.57 113.90 1s1i h LYS 32 Ca 0.02 -0.08 -0.49 0.00 -2.81 0.00 0.00 60.65 57.28 1s1i h LYS 32 Cb 0.96 -0.09 0.06 0.00 -1.00 0.00 0.00 32.23 32.17 1s1i h LYS 32 CO 0.08 0.48 0.38 0.14 -2.81 0.00 0.00 179.45 177.72 1s1i s VAL 33 N -5.63 3.77 0.00 2.00 -7.23 0.73 -1.79 120.40 112.25 1s1i s VAL 33 Ca -0.13 0.86 0.00 0.00 -1.81 0.00 0.00 61.98 60.90 1s1i s VAL 33 Cb 0.09 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.66 1s1i s VAL 33 CO 0.74 -0.48 0.00 0.00 -0.31 0.00 0.00 175.10 175.05 1s1i n GLN 34 N -1.97 0.00 -0.13 4.82 10.64 -1.26 -4.64 117.38 124.84 1s1i n GLN 34 Ca 0.09 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.13 1s1i n GLN 34 Cb 0.53 -3.45 -0.02 0.00 -0.86 0.00 0.00 30.24 26.44 1s1i n GLN 34 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1s1i h LYS 35 N 0.94 0.94 -0.74 2.61 3.64 -0.34 0.57 116.57 124.19 1s1i h LYS 35 Ca 0.00 -0.46 -0.06 0.00 -1.27 0.00 0.00 60.65 58.86 1s1i h LYS 35 Cb 0.00 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1s1i h LYS 35 CO 0.00 1.12 0.23 -0.07 -2.27 0.00 0.00 179.45 178.46 1s1i h LEU 36 N 0.77 1.07 0.36 5.20 4.07 -1.82 -2.78 115.31 122.18 1s1i h LEU 36 Ca 0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 1s1i h LEU 36 Cb 0.90 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 1s1i h LEU 36 CO 0.08 1.00 -0.26 -1.28 -1.08 0.00 0.00 178.44 176.90 1s1i h SER 37 N 1.10 -0.68 -4.20 -0.43 0.87 -1.62 -3.43 113.55 105.16 1s1i h SER 37 Ca 0.24 0.04 -0.34 0.00 -1.23 0.00 0.00 61.79 60.51 1s1i h SER 37 Cb 0.30 0.21 -0.26 0.00 -0.44 0.00 0.00 62.40 62.21 1s1i h SER 37 CO -0.01 -0.38 -0.76 -0.13 -0.53 0.00 0.00 176.83 175.03 1s1i s ARG 38 N -4.50 0.56 0.73 2.24 1.81 0.19 -5.07 118.95 114.91 1s1i s ARG 38 Ca -0.10 -0.43 -0.11 0.00 -1.72 0.00 0.00 55.73 53.38 1s1i s ARG 38 Cb 0.02 -0.49 0.03 0.00 -0.45 0.00 0.00 34.95 34.05 1s1i s ARG 38 CO 0.31 0.12 1.08 -2.14 -0.68 0.00 0.00 175.30 174.00 1s1i s PRO 39 N -0.64 2.66 0.18 3.54 0.02 -1.08 -3.70 135.00 135.99 1s1i s PRO 39 Ca -0.01 0.67 0.08 0.00 0.02 0.00 0.00 61.00 61.76 1s1i s PRO 39 Cb -0.05 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1s1i s PRO 39 CO 0.00 -1.22 -0.03 0.45 -0.33 0.00 0.00 177.00 175.87 1s1i s SER 40 N -4.04 4.58 0.00 2.53 0.15 -1.26 -5.02 113.70 110.64 1s1i s SER 40 Ca 0.59 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1s1i s SER 40 Cb -0.13 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 1s1i s SER 40 CO 0.54 0.09 0.00 0.00 1.20 0.00 0.00 173.24 175.07 1s1i n LEU 41 N -0.09 0.00 -4.62 3.45 -0.00 -1.26 -4.93 117.00 109.54 1s1i n LEU 41 Ca -0.10 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.48 1s1i n LEU 41 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.94 1s1i n LEU 41 CO 0.37 0.00 1.73 -2.84 -0.00 0.00 0.00 177.39 176.65 1s1i s PRO 42 N 2.88 3.47 0.00 1.47 0.02 -1.26 -3.76 135.00 137.82 1s1i s PRO 42 Ca 0.00 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1s1i s PRO 42 Cb 0.00 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 30.24 1s1i s PRO 42 CO 0.00 -1.72 0.00 1.63 -0.33 0.00 0.00 177.00 176.58 1s1i n LYS 43 N 8.32 0.00 -1.76 5.54 5.02 -1.26 -4.97 118.16 129.06 1s1i n LYS 43 Ca 0.26 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.14 1s1i n LYS 43 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 1s1i n LYS 43 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1s1i n ILE 44 N 0.00 2.12 -2.40 -0.18 0.13 -1.25 0.89 119.36 118.67 1s1i n ILE 44 Ca 0.00 -0.50 -0.01 0.00 -1.10 0.00 0.00 62.75 61.14 1s1i n ILE 44 Cb 0.00 -1.88 -0.01 0.00 -0.84 0.00 0.00 39.64 36.92 1s1i n ILE 44 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1s1i n LYS 45 N 0.37 -2.86 0.00 9.51 0.00 -1.26 -4.70 118.16 119.22 1s1i n LYS 45 Ca 0.02 2.36 0.00 0.00 0.00 0.00 0.00 58.31 60.70 1s1i n LYS 45 Cb 0.39 -4.28 0.00 0.00 0.00 0.00 0.00 35.03 31.14 1s1i n LYS 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1s1i n THR 46 N 0.70 0.00 -0.14 3.15 -1.04 -0.71 -4.47 114.28 111.78 1s1i n THR 46 Ca -0.07 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.85 1s1i n THR 46 Cb 0.11 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.62 1s1i n THR 46 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1s1i h VAL 47 N 0.00 1.19 -4.20 12.58 3.04 0.23 0.44 116.25 129.53 1s1i h VAL 47 Ca 0.00 -0.55 -0.48 0.00 -1.01 0.00 0.00 66.70 64.66 1s1i h VAL 47 Cb 0.00 0.81 0.03 0.00 -2.01 0.00 0.00 31.29 30.12 1s1i h VAL 47 CO 0.00 0.20 0.38 -0.60 -1.01 0.00 0.00 177.57 176.54 1s1i s ARG 48 N -5.62 3.70 0.00 4.17 3.00 -1.26 0.11 118.95 123.05 1s1i s ARG 48 Ca -0.13 1.05 0.00 0.00 -1.00 0.00 0.00 55.73 55.65 1s1i s ARG 48 Cb 0.10 -2.10 0.00 0.00 0.00 0.00 0.00 34.95 32.96 1s1i s ARG 48 CO 0.75 -0.48 0.00 0.36 0.00 0.00 0.00 175.30 175.93 1s1i n LYS 49 N -1.76 0.00 0.06 5.12 -0.00 -1.26 -4.37 118.16 115.94 1s1i n LYS 49 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.26 1s1i n LYS 49 Cb 0.54 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 35.48 1s1i n LYS 49 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1s1i h SER 50 N 0.00 -0.13 -0.74 -5.58 0.87 -0.28 0.57 113.55 108.25 1s1i h SER 50 Ca 0.00 -0.31 -0.06 0.00 -1.23 0.00 0.00 61.79 60.19 1s1i h SER 50 Cb 0.00 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1s1i h SER 50 CO 0.00 0.26 0.25 -0.29 -0.53 0.00 0.00 176.83 176.51 1s1i h ILE 51 N -0.55 1.26 -0.33 2.23 -0.00 0.49 -2.45 117.51 118.16 1s1i h ILE 51 Ca -0.02 -0.88 0.03 0.00 -0.00 0.00 0.00 64.86 63.99 1s1i h ILE 51 Cb 0.44 0.43 -0.03 0.00 -0.00 0.00 0.00 36.82 37.66 1s1i h ILE 51 CO 0.03 0.35 0.16 0.00 -0.00 0.00 0.00 178.15 178.68 1s1i h ALA 52 N 1.13 0.40 -0.75 0.18 0.00 -1.65 -1.26 119.26 117.32 1s1i h ALA 52 Ca 0.24 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1s1i h ALA 52 Cb 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1s1i h ALA 52 CO -0.01 -0.22 0.36 0.00 0.00 0.00 0.00 179.25 179.37 1s1i h VAL 54 N 1.06 1.20 -0.05 0.00 3.04 -0.79 -1.81 116.25 118.90 1s1i h VAL 54 Ca 0.26 -0.41 -0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1s1i h VAL 54 Cb 0.11 -0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 29.28 1s1i h VAL 54 CO -0.03 0.22 0.02 0.25 -1.01 0.00 0.00 177.57 177.02 1s1i h LEU 55 N 1.21 0.07 -7.82 3.16 5.85 -0.98 -3.08 115.31 113.72 1s1i h LEU 55 Ca 0.35 -0.17 -0.72 0.00 0.84 0.00 0.00 57.88 58.19 1s1i h LEU 55 Cb -0.08 -0.02 -0.17 0.00 0.37 0.00 0.00 40.66 40.76 1s1i h LEU 55 CO -0.09 0.22 1.20 0.42 -0.34 0.00 0.00 178.44 179.85 1s1i s THR 56 N -5.53 4.87 0.00 1.05 -4.23 -0.68 -0.69 115.64 110.43 1s1i s THR 56 Ca -0.14 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.17 1s1i s THR 56 Cb 0.05 -4.88 0.00 0.00 1.34 0.00 0.00 72.50 69.01 1s1i s THR 56 CO 0.68 -1.60 0.00 0.52 -0.54 0.00 0.00 174.62 173.68 1s1i n VAL 57 N 5.03 0.00 -0.11 2.29 0.31 -1.16 -4.77 118.33 119.91 1s1i n VAL 57 Ca 0.33 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.57 1s1i n VAL 57 Cb 0.45 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.37 1s1i n VAL 57 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1s1i h ILE 58 N 0.00 1.09 -3.12 2.52 3.07 -1.55 -2.88 117.51 116.64 1s1i h ILE 58 Ca 0.00 -0.18 -0.75 0.00 1.55 0.00 0.00 64.86 65.48 1s1i h ILE 58 Cb 0.00 0.59 -0.22 0.00 -0.27 0.00 0.00 36.82 36.92 1s1i h ILE 58 CO 0.00 0.09 0.50 0.21 -1.05 0.00 0.00 178.15 177.90 1s1i s ASN 59 N -5.52 6.75 0.00 2.16 3.04 0.13 -5.14 114.94 116.36 1s1i s ASN 59 Ca -0.13 -2.48 0.16 0.00 0.04 0.00 0.00 52.86 50.44 1s1i s ASN 59 Cb 0.10 -2.30 0.12 0.00 -1.54 0.00 0.00 41.25 37.63 1s1i s ASN 59 CO 0.72 -0.77 0.99 -1.84 -3.04 0.00 0.00 177.10 173.16