#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mai n LEU 13 N 0.00 0.00 0.14 0.99 7.94 -1.26 -0.80 117.00 124.01 1mai n LEU 13 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1mai n LEU 13 Cb 0.00 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.18 1mai n LEU 13 CO 0.00 0.00 0.58 -0.61 -1.11 0.00 0.00 177.39 176.25 1mai h GLN 14 N 0.00 0.04 0.00 1.96 5.75 -2.02 -3.19 115.11 117.66 1mai h GLN 14 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1mai h GLN 14 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1mai h GLN 14 CO 0.00 0.55 -1.21 -0.25 -2.65 0.00 0.00 178.83 175.27 1mai n ASP 15 N -3.93 0.61 -4.62 -0.69 9.92 0.02 -4.88 116.55 112.97 1mai n ASP 15 Ca -0.02 -0.43 -0.41 0.00 -0.53 0.00 0.00 54.79 53.41 1mai n ASP 15 Cb 0.53 1.10 -0.06 0.00 -0.64 0.00 0.00 41.12 42.05 1mai n ASP 15 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1mai s ASP 16 N -3.71 6.57 0.44 -2.24 -1.08 -1.20 -4.93 116.67 110.52 1mai s ASP 16 Ca 0.03 0.68 0.11 0.00 -0.52 0.00 0.00 52.55 52.85 1mai s ASP 16 Cb 0.15 -2.34 0.99 0.00 -1.46 0.00 0.00 42.92 40.26 1mai s ASP 16 CO 0.84 -0.39 2.06 1.55 0.52 0.00 0.00 175.17 179.76 1mai h PRO 17 N 7.93 0.28 0.02 4.34 0.13 -1.90 -0.03 132.00 142.77 1mai h PRO 17 Ca -0.27 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1mai h PRO 17 Cb 1.12 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1mai h PRO 17 CO 0.78 0.23 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.33 1mai h ASP 18 N 0.29 -0.02 -0.17 1.44 3.32 -1.92 -2.25 116.42 117.11 1mai h ASP 18 Ca 0.07 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.62 1mai h ASP 18 Cb 0.05 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1mai h ASP 18 CO -0.01 0.44 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.81 1mai h LEU 19 N -0.48 0.47 -0.84 1.55 3.38 -1.75 -1.48 115.31 116.15 1mai h LEU 19 Ca -0.00 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1mai h LEU 19 Cb 0.46 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1mai h LEU 19 CO 0.00 0.58 0.31 1.56 0.09 0.00 0.00 178.44 180.99 1mai h GLN 20 N 0.46 1.16 -0.39 1.13 4.20 -1.00 -1.08 115.11 119.60 1mai h GLN 20 Ca 0.09 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 1mai h GLN 20 Cb 0.41 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1mai h GLN 20 CO 0.02 0.94 -0.09 0.00 -0.67 0.00 0.00 178.83 179.03 1mai h ALA 21 N 1.20 0.54 -0.51 3.87 0.00 -0.81 -3.08 119.26 120.46 1mai h ALA 21 Ca 0.26 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1mai h ALA 21 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1mai h ALA 21 CO -0.02 0.40 0.11 -0.07 0.00 0.00 0.00 179.25 179.67 1mai h LEU 22 N 0.56 0.73 -1.88 0.00 3.38 -1.01 -2.28 115.31 114.81 1mai h LEU 22 Ca 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1mai h LEU 22 Cb 0.61 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1mai h LEU 22 CO 0.04 0.73 -0.13 -0.07 0.09 0.00 0.00 178.44 179.10 1mai h LEU 23 N 0.75 0.00 0.00 1.67 3.38 -1.14 -0.86 115.31 119.12 1mai h LEU 23 Ca 0.17 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1mai h LEU 23 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1mai h LEU 23 CO -0.00 0.13 -0.95 0.11 0.09 0.00 0.00 178.44 177.81 1mai h LYS 24 N 0.00 0.00 0.00 1.13 1.57 -1.34 -3.43 116.57 114.50 1mai h LYS 24 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mai h LYS 24 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1mai h LYS 24 CO 0.02 0.92 0.00 0.41 -0.57 0.00 0.00 179.45 180.23 1mai n GLY 25 N 1.34 0.00 3.01 3.86 0.00 -0.45 -4.97 105.19 107.98 1mai n GLY 25 Ca -0.00 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 1mai n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mai s SER 26 N -1.83 0.30 -0.35 1.61 0.01 0.06 -4.88 113.70 108.62 1mai s SER 26 Ca 0.00 -0.63 -0.19 0.00 1.31 0.00 0.00 55.95 56.44 1mai s SER 26 Cb 0.00 0.13 -0.00 0.00 0.21 0.00 0.00 66.02 66.36 1mai s SER 26 CO 0.00 -0.39 0.54 -1.10 0.41 0.00 0.00 173.24 172.70 1mai s GLN 27 N -2.14 3.62 0.43 12.44 -1.52 -1.26 -1.25 119.66 129.99 1mai s GLN 27 Ca -0.10 -0.12 0.06 0.00 -1.95 0.00 0.00 55.36 53.25 1mai s GLN 27 Cb -0.05 -3.81 -0.06 0.00 -0.22 0.00 0.00 33.01 28.87 1mai s GLN 27 CO -0.03 -0.67 0.05 -0.51 -0.25 0.00 0.00 175.29 173.87 1mai s LEU 28 N 2.46 2.81 -0.17 2.90 1.43 0.64 -4.52 118.68 124.22 1mai s LEU 28 Ca 0.20 -1.37 -0.03 0.00 -1.03 0.00 0.00 54.13 51.90 1mai s LEU 28 Cb -0.15 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 1mai s LEU 28 CO 0.14 -0.55 -0.06 -0.76 0.23 0.00 0.00 176.35 175.35 1mai s LEU 29 N -3.78 2.99 -0.17 1.79 1.43 -0.76 0.29 118.68 120.47 1mai s LEU 29 Ca 0.31 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 1mai s LEU 29 Cb 0.07 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1mai s LEU 29 CO 0.16 0.10 0.36 -0.75 0.23 0.00 0.00 176.35 176.45 1mai s LYS 30 N 0.79 4.25 -0.27 1.70 2.20 0.16 -1.12 119.74 127.45 1mai s LYS 30 Ca -0.02 0.20 -0.13 0.00 -0.36 0.00 0.00 55.97 55.66 1mai s LYS 30 Cb -0.15 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1mai s LYS 30 CO 0.02 0.13 0.26 0.08 -0.36 0.00 0.00 175.35 175.48 1mai s VAL 31 N 0.78 5.26 0.00 4.02 1.01 -0.43 -1.38 120.40 129.66 1mai s VAL 31 Ca 0.19 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1mai s VAL 31 Cb -0.14 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1mai s VAL 31 CO 0.07 0.23 0.00 0.29 0.00 0.00 0.00 175.10 175.68 1mai n LYS 32 N 5.06 3.19 -0.71 2.72 4.76 -0.45 -4.45 118.16 128.27 1mai n LYS 32 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1mai n LYS 32 Cb 0.51 -0.95 0.00 0.00 -1.84 0.00 0.00 35.03 32.76 1mai n LYS 32 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1mai n SER 33 N -1.78 0.00 -0.12 4.39 3.41 -1.05 -4.95 113.62 113.52 1mai n SER 33 Ca 0.00 -0.67 -0.10 0.00 -0.26 0.00 0.00 58.87 57.84 1mai n SER 33 Cb 0.39 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.38 1mai n SER 33 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1mai h SER 34 N 0.00 0.91 0.03 4.04 0.02 -1.94 -3.34 113.55 113.28 1mai h SER 34 Ca 0.00 -0.35 -0.27 0.00 -0.84 0.00 0.00 61.79 60.33 1mai h SER 34 Cb 0.00 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1mai h SER 34 CO 0.00 1.11 -1.50 -1.54 -1.14 0.00 0.00 176.83 173.76 1mai n SER 35 N -4.10 1.93 -4.56 3.07 3.41 -1.26 -4.81 113.62 107.30 1mai n SER 35 Ca -0.00 0.36 -0.40 0.00 -0.26 0.00 0.00 58.87 58.57 1mai n SER 35 Cb 0.46 -0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 1mai n SER 35 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1mai s TRP 36 N -2.42 1.93 -0.31 7.33 -0.00 -1.25 -4.86 118.94 119.34 1mai s TRP 36 Ca -0.27 0.55 0.01 0.00 -0.00 0.00 0.00 56.10 56.39 1mai s TRP 36 Cb 0.06 -4.26 0.15 0.00 -0.00 0.00 0.00 33.47 29.42 1mai s TRP 36 CO 0.64 -2.24 0.34 0.50 -0.00 0.00 0.00 176.95 176.18 1mai s ARG 37 N 6.34 0.44 0.13 5.86 3.52 -1.25 -1.34 118.95 132.64 1mai s ARG 37 Ca 0.59 -0.31 0.09 0.00 -0.13 0.00 0.00 55.73 55.97 1mai s ARG 37 Cb -0.12 -0.61 -0.04 0.00 -1.56 0.00 0.00 34.95 32.62 1mai s ARG 37 CO 0.22 -1.08 -0.21 1.03 -0.81 0.00 0.00 175.30 174.44 1mai s ARG 38 N 2.11 1.23 0.21 5.12 0.52 -0.48 -4.86 118.95 122.80 1mai s ARG 38 Ca 0.12 -1.27 -0.30 0.00 -0.52 0.00 0.00 55.73 53.75 1mai s ARG 38 Cb -0.14 -1.49 -0.09 0.00 0.52 0.00 0.00 34.95 33.75 1mai s ARG 38 CO -0.24 0.34 1.28 -2.00 0.02 0.00 0.00 175.30 174.70 1mai s GLU 39 N -2.18 4.41 -0.09 3.54 2.12 -1.26 0.37 118.70 125.61 1mai s GLU 39 Ca 0.11 2.02 -0.06 0.00 0.36 0.00 0.00 54.97 57.40 1mai s GLU 39 Cb -0.09 -3.20 0.03 0.00 0.26 0.00 0.00 34.13 31.14 1mai s GLU 39 CO 0.05 -0.20 0.22 1.03 -0.54 0.00 0.00 175.26 175.82 1mai s ARG 40 N -0.28 0.21 -0.05 4.30 1.81 0.14 -4.89 118.95 120.20 1mai s ARG 40 Ca 0.55 0.41 -0.17 0.00 -1.72 0.00 0.00 55.73 54.80 1mai s ARG 40 Cb -0.36 -0.02 -0.05 0.00 -0.45 0.00 0.00 34.95 34.07 1mai s ARG 40 CO 0.39 -0.10 0.46 0.12 -0.68 0.00 0.00 175.30 175.48 1mai s PHE 41 N 0.75 3.63 0.04 -0.53 5.36 -1.26 -0.26 117.98 125.70 1mai s PHE 41 Ca -0.05 0.97 0.06 0.00 -0.96 0.00 0.00 56.93 56.95 1mai s PHE 41 Cb -0.07 -2.44 -0.02 0.00 -0.34 0.00 0.00 43.02 40.15 1mai s PHE 41 CO -0.04 0.40 -0.18 0.71 -1.46 0.00 0.00 175.22 174.65 1mai s TYR 42 N -0.24 1.62 -0.22 10.12 2.02 -0.38 -1.34 117.35 128.93 1mai s TYR 42 Ca 0.25 -0.36 -0.09 0.00 -0.37 0.00 0.00 57.07 56.50 1mai s TYR 42 Cb -0.16 -0.97 0.09 0.00 -0.40 0.00 0.00 41.96 40.51 1mai s TYR 42 CO 0.12 0.06 0.49 0.21 -1.57 0.00 0.00 175.55 174.86 1mai s LYS 43 N -1.07 0.43 0.14 -0.62 2.20 -0.70 -0.76 119.74 119.37 1mai s LYS 43 Ca 0.06 1.07 -0.30 0.00 -0.36 0.00 0.00 55.97 56.43 1mai s LYS 43 Cb -0.08 0.31 -0.07 0.00 -1.51 0.00 0.00 37.83 36.48 1mai s LYS 43 CO 0.01 -0.21 1.20 -1.17 -0.36 0.00 0.00 175.35 174.83 1mai s LEU 44 N 2.25 4.42 0.49 5.43 2.96 -0.46 -1.05 118.68 132.73 1mai s LEU 44 Ca -0.05 2.16 -0.14 0.00 -0.22 0.00 0.00 54.13 55.88 1mai s LEU 44 Cb -0.10 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 1mai s LEU 44 CO -0.15 -0.40 0.92 -1.10 -1.32 0.00 0.00 176.35 174.30 1mai s GLN 45 N 0.21 3.85 0.44 1.98 -1.52 -0.27 -4.20 119.66 120.15 1mai s GLN 45 Ca 0.55 0.77 0.19 0.00 -1.95 0.00 0.00 55.36 54.92 1mai s GLN 45 Cb -0.32 -2.21 1.13 0.00 -0.22 0.00 0.00 33.01 31.40 1mai s GLN 45 CO 0.34 -0.24 1.88 0.93 -0.25 0.00 0.00 175.29 177.96 1mai h GLU 46 N 0.85 0.33 0.00 2.91 4.39 -1.93 0.05 114.58 121.18 1mai h GLU 46 Ca -0.47 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1mai h GLU 46 Cb 1.19 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1mai h GLU 46 CO 0.62 0.22 0.00 -0.40 -1.16 0.00 0.00 179.01 178.29 1mai n ASP 47 N -4.47 0.00 -1.85 1.42 5.68 -1.26 -4.84 116.55 111.23 1mai n ASP 47 Ca 0.17 -0.19 -0.14 0.00 -0.50 0.00 0.00 54.79 54.13 1mai n ASP 47 Cb 0.67 -0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.45 1mai n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mai n LYS 49 N -2.34 2.75 -4.31 0.00 5.02 -1.26 -4.93 118.16 113.08 1mai n LYS 49 Ca -0.16 -0.01 -0.17 0.00 -2.02 0.00 0.00 58.31 55.96 1mai n LYS 49 Cb 0.54 -1.13 -0.10 0.00 -0.02 0.00 0.00 35.03 34.32 1mai n LYS 49 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mai s THR 50 N -2.16 1.46 -0.07 -0.18 -4.23 -1.26 -1.04 115.64 108.16 1mai s THR 50 Ca -0.02 -2.14 0.03 0.00 -1.18 0.00 0.00 61.69 58.38 1mai s THR 50 Cb 0.02 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.84 1mai s THR 50 CO 0.21 -0.61 -0.16 -0.63 -0.54 0.00 0.00 174.62 172.89 1mai s ILE 51 N -3.14 1.46 0.02 2.99 1.01 -0.07 -1.11 121.20 122.36 1mai s ILE 51 Ca 0.21 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 1mai s ILE 51 Cb 0.01 -1.29 -0.06 0.00 0.01 0.00 0.00 42.46 41.13 1mai s ILE 51 CO 0.05 0.43 0.52 0.86 0.00 0.00 0.00 174.94 176.80 1mai s TRP 52 N 0.49 3.74 -0.03 3.97 -0.00 -0.21 -1.26 118.94 125.64 1mai s TRP 52 Ca -0.15 1.15 0.02 0.00 -0.00 0.00 0.00 56.10 57.13 1mai s TRP 52 Cb -0.16 -2.47 0.01 0.00 -0.00 0.00 0.00 33.47 30.85 1mai s TRP 52 CO 0.05 0.53 -0.08 1.14 -0.00 0.00 0.00 176.95 178.59 1mai s GLN 53 N -0.79 0.91 0.57 5.86 -2.07 0.16 -1.72 119.66 122.58 1mai s GLN 53 Ca 0.28 -0.27 -0.19 0.00 -1.82 0.00 0.00 55.36 53.36 1mai s GLN 53 Cb -0.18 -0.85 -0.04 0.00 -1.09 0.00 0.00 33.01 30.84 1mai s GLN 53 CO 0.16 0.09 1.17 -2.00 -1.32 0.00 0.00 175.29 173.39 1mai s GLU 54 N 0.26 3.14 0.01 9.60 2.12 -0.45 -4.63 118.70 128.75 1mai s GLU 54 Ca -0.04 1.71 -0.09 0.00 0.36 0.00 0.00 54.97 56.91 1mai s GLU 54 Cb -0.09 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.34 1mai s GLU 54 CO 0.00 -1.04 0.17 0.45 -0.54 0.00 0.00 175.26 174.31 1mai s SER 55 N -1.71 0.01 -0.07 -1.70 0.15 -1.26 -4.82 113.70 104.30 1mai s SER 55 Ca 0.75 -0.24 0.11 0.00 0.70 0.00 0.00 55.95 57.27 1mai s SER 55 Cb -0.27 0.24 0.20 0.00 -1.71 0.00 0.00 66.02 64.48 1mai s SER 55 CO 0.30 -0.45 1.10 0.54 1.20 0.00 0.00 173.24 175.94 1mai n ARG 56 N 1.15 0.66 -2.01 5.44 5.12 -1.26 -5.06 116.66 120.70 1mai n ARG 56 Ca -0.21 -1.94 -0.38 0.00 -1.93 0.00 0.00 57.85 53.39 1mai n ARG 56 Cb 0.57 -0.96 0.02 0.00 -1.16 0.00 0.00 32.46 30.93 1mai n ARG 56 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1mai s LYS 57 N -1.45 3.47 0.18 5.56 1.02 -1.26 -4.93 119.74 122.32 1mai s LYS 57 Ca 0.20 2.03 -0.19 0.00 0.02 0.00 0.00 55.97 58.03 1mai s LYS 57 Cb 0.18 -2.36 0.12 0.00 -0.52 0.00 0.00 37.83 35.26 1mai s LYS 57 CO -0.01 -0.86 1.62 0.28 -0.92 0.00 0.00 175.35 175.46 1mai h VAL 58 N 1.70 0.35 -2.18 3.17 2.07 -2.07 -2.96 116.25 116.33 1mai h VAL 58 Ca -0.50 0.00 -0.70 0.00 0.82 0.00 0.00 66.70 66.32 1mai h VAL 58 Cb 1.27 0.35 -0.34 0.00 -1.52 0.00 0.00 31.29 31.05 1mai h VAL 58 CO 0.59 0.00 0.24 0.80 0.02 0.00 0.00 177.57 179.21 1mai n MET 59 N -5.40 4.18 -1.96 1.57 0.00 -1.26 -5.05 117.12 109.20 1mai n MET 59 Ca 0.03 -4.63 -0.29 0.00 -0.00 0.00 0.00 57.70 52.81 1mai n MET 59 Cb 0.31 -2.34 0.05 0.00 0.00 0.00 0.00 33.22 31.24 1mai n MET 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1mai s ARG 60 N -3.91 2.78 0.03 2.12 1.70 -1.12 -5.08 118.95 115.47 1mai s ARG 60 Ca 0.45 0.36 -0.25 0.00 -0.47 0.00 0.00 55.73 55.81 1mai s ARG 60 Cb 0.27 -2.05 0.06 0.00 -0.57 0.00 0.00 34.95 32.65 1mai s ARG 60 CO -0.16 -1.04 0.59 -1.54 -1.08 0.00 0.00 175.30 172.06 1mai s SER 61 N -4.37 -0.54 0.26 -2.89 1.04 -1.26 -5.02 113.70 100.91 1mai s SER 61 Ca 0.58 0.33 -0.02 0.00 0.48 0.00 0.00 55.95 57.32 1mai s SER 61 Cb -0.11 0.52 0.53 0.00 0.10 0.00 0.00 66.02 67.06 1mai s SER 61 CO 0.51 -0.72 1.72 -0.65 0.98 0.00 0.00 173.24 175.07 1mai h PRO 62 N 2.75 0.41 0.00 4.02 0.11 -1.98 0.13 132.00 137.43 1mai h PRO 62 Ca -0.30 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.68 1mai h PRO 62 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1mai h PRO 62 CO 0.40 0.27 -0.48 1.49 -0.21 0.00 0.00 178.00 179.47 1mai h GLU 63 N 0.42 0.00 0.00 1.05 4.57 -1.97 -2.40 114.58 116.25 1mai h GLU 63 Ca 0.45 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.61 1mai h GLU 63 Cb 0.74 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1mai h GLU 63 CO -0.45 0.48 -0.09 0.66 -1.18 0.00 0.00 179.01 178.43 1mai h SER 64 N 0.00 0.00 -0.32 1.04 4.64 -1.17 -2.90 113.55 114.85 1mai h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mai h SER 64 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1mai h SER 64 CO 0.06 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 1mai n GLN 65 N -3.26 1.87 -4.77 4.77 6.02 -0.83 -4.78 117.38 116.41 1mai n GLN 65 Ca -0.00 -1.19 -0.28 0.00 -0.01 0.00 0.00 57.00 55.52 1mai n GLN 65 Cb 0.33 -1.33 -0.14 0.00 1.02 0.00 0.00 30.24 30.12 1mai n GLN 65 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1mai s LEU 66 N -1.03 2.17 -0.00 1.08 2.01 -1.09 0.38 118.68 122.20 1mai s LEU 66 Ca 0.22 -0.56 -0.02 0.00 0.01 0.00 0.00 54.13 53.78 1mai s LEU 66 Cb 0.12 -1.12 -0.00 0.00 0.01 0.00 0.00 46.19 45.19 1mai s LEU 66 CO 0.14 0.21 0.05 0.72 1.01 0.00 0.00 176.35 178.47 1mai s PHE 67 N -0.80 0.06 0.27 0.29 -0.12 -0.39 -4.97 117.98 112.32 1mai s PHE 67 Ca 0.10 -0.13 -0.21 0.00 -0.05 0.00 0.00 56.93 56.63 1mai s PHE 67 Cb -0.09 -0.06 -0.09 0.00 -0.63 0.00 0.00 43.02 42.14 1mai s PHE 67 CO 0.02 -0.14 0.80 0.45 -0.05 0.00 0.00 175.22 176.30 1mai s SER 68 N -0.76 7.13 0.49 1.98 0.15 -1.26 -0.89 113.70 120.53 1mai s SER 68 Ca -0.08 1.55 0.24 0.00 0.70 0.00 0.00 55.95 58.36 1mai s SER 68 Cb -0.05 -2.47 1.25 0.00 -1.71 0.00 0.00 66.02 63.04 1mai s SER 68 CO 0.00 -0.03 2.00 0.40 1.20 0.00 0.00 173.24 176.81 1mai h ILE 69 N 2.63 0.68 0.00 6.45 1.08 -1.44 -1.00 117.51 125.90 1mai h ILE 69 Ca -0.48 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.26 1mai h ILE 69 Cb 1.19 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 1mai h ILE 69 CO 0.65 0.17 0.00 -0.33 -0.69 0.00 0.00 178.15 177.95 1mai h GLU 70 N 0.00 0.00 -0.48 2.37 5.08 -1.92 -1.91 114.58 117.72 1mai h GLU 70 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mai h GLU 70 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1mai h GLU 70 CO 0.02 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.56 1mai n ASP 71 N -2.31 2.92 -4.65 1.42 2.03 -0.38 -4.90 116.55 110.68 1mai n ASP 71 Ca 0.00 -1.96 -0.35 0.00 0.52 0.00 0.00 54.79 53.00 1mai n ASP 71 Cb 0.14 -0.32 -0.09 0.00 -0.72 0.00 0.00 41.12 40.12 1mai n ASP 71 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1mai s ILE 72 N -1.37 5.07 -0.10 5.18 1.01 -0.72 -1.12 121.20 129.15 1mai s ILE 72 Ca 0.37 0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 1mai s ILE 72 Cb 0.20 -3.33 -0.27 0.00 0.01 0.00 0.00 42.46 39.07 1mai s ILE 72 CO 0.27 0.41 0.58 1.56 0.00 0.00 0.00 174.94 177.76 1mai h GLN 73 N 7.06 0.24 -2.28 2.79 4.20 -1.13 -3.46 115.11 122.54 1mai h GLN 73 Ca -0.38 -0.41 0.16 0.00 0.06 0.00 0.00 58.65 58.08 1mai h GLN 73 Cb 1.16 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.99 1mai h GLN 73 CO 0.69 1.20 0.50 -1.83 -0.67 0.00 0.00 178.83 178.72 1mai s GLU 74 N -2.47 1.03 -0.11 1.46 -1.05 -1.21 -5.03 118.70 111.33 1mai s GLU 74 Ca -0.19 -0.51 -0.00 0.00 -0.15 0.00 0.00 54.97 54.11 1mai s GLU 74 Cb 0.04 0.39 0.02 0.00 -0.44 0.00 0.00 34.13 34.14 1mai s GLU 74 CO 0.77 -0.47 -0.07 0.08 0.95 0.00 0.00 175.26 176.52 1mai s VAL 75 N -3.19 0.96 -0.06 1.83 1.01 -1.26 -1.25 120.40 118.44 1mai s VAL 75 Ca 0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1mai s VAL 75 Cb -0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1mai s VAL 75 CO -0.02 0.36 0.12 -0.13 0.00 0.00 0.00 175.10 175.42 1mai s ARG 76 N 1.67 3.28 -0.10 2.72 0.52 0.36 -4.94 118.95 122.46 1mai s ARG 76 Ca 0.04 -0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 54.91 1mai s ARG 76 Cb -0.13 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 1mai s ARG 76 CO -0.07 0.71 0.05 1.41 0.02 0.00 0.00 175.30 177.41 1mai s MET 77 N -1.40 3.20 0.38 3.54 -2.45 -1.26 -0.75 119.30 120.55 1mai s MET 77 Ca 0.20 -0.32 0.00 0.00 -1.25 0.00 0.00 55.69 54.31 1mai s MET 77 Cb -0.12 -2.94 0.00 0.00 1.25 0.00 0.00 34.83 33.02 1mai s MET 77 CO 0.10 0.69 0.00 0.41 1.05 0.00 0.00 175.02 177.26 1mai n GLY 78 N 2.22 -2.33 3.20 2.11 0.00 0.20 -4.55 105.19 106.03 1mai n GLY 78 Ca -0.19 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 1mai n GLY 78 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mai n HIS 79 N -0.17 4.14 -0.78 1.61 -0.00 -1.26 -4.36 115.22 114.39 1mai n HIS 79 Ca 0.00 -2.93 0.08 0.00 -0.00 0.00 0.00 57.72 54.87 1mai n HIS 79 Cb 0.00 -2.53 0.25 0.00 -0.00 0.00 0.00 29.99 27.72 1mai n HIS 79 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1mai n ARG 80 N 7.00 3.13 -4.18 -0.41 5.12 -1.26 -4.65 116.66 121.41 1mai n ARG 80 Ca 0.49 -2.70 -0.11 0.00 -1.93 0.00 0.00 57.85 53.60 1mai n ARG 80 Cb 0.42 -1.75 -0.10 0.00 -1.16 0.00 0.00 32.46 29.87 1mai n ARG 80 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1mai s THR 81 N -2.34 0.70 0.17 0.55 -4.23 -1.26 -5.03 115.64 104.18 1mai s THR 81 Ca 0.40 -1.94 -0.15 0.00 -1.18 0.00 0.00 61.69 58.82 1mai s THR 81 Cb 0.30 -1.72 0.05 0.00 1.34 0.00 0.00 72.50 72.47 1mai s THR 81 CO 0.12 -0.84 1.82 -0.33 -0.54 0.00 0.00 174.62 174.85 1mai h GLU 82 N 2.94 0.64 -0.78 3.99 4.39 -1.97 0.37 114.58 124.16 1mai h GLU 82 Ca -0.35 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1mai h GLU 82 Cb 1.17 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.64 1mai h GLU 82 CO 0.65 0.43 0.48 0.78 -1.16 0.00 0.00 179.01 180.19 1mai h GLY 83 N 0.65 1.11 1.81 -3.84 0.00 -1.97 0.89 103.07 101.72 1mai h GLY 83 Ca 0.18 -0.44 -0.24 0.00 0.00 0.00 0.00 47.33 46.83 1mai h GLY 83 CO -0.04 0.43 -1.10 -2.00 0.00 0.00 0.00 176.54 173.83 1mai h LEU 84 N 1.06 0.22 -0.81 3.11 5.85 -1.84 0.48 115.31 123.39 1mai h LEU 84 Ca 0.28 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 1mai h LEU 84 Cb -0.07 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1mai h LEU 84 CO -0.06 1.16 -0.49 -0.33 -0.34 0.00 0.00 178.44 178.39 1mai h GLU 85 N 0.05 0.26 0.05 1.25 5.08 0.29 -2.37 114.58 119.18 1mai h GLU 85 Ca -0.07 -0.14 -0.34 0.00 -1.00 0.00 0.00 59.36 57.81 1mai h GLU 85 Cb 1.83 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.06 1mai h GLU 85 CO 0.16 0.70 -1.89 1.63 -1.00 0.00 0.00 179.01 178.61 1mai n LYS 86 N -3.96 0.66 0.00 2.33 5.02 0.26 -4.58 118.16 117.88 1mai n LYS 86 Ca -0.02 0.35 0.12 0.00 -2.02 0.00 0.00 58.31 56.74 1mai n LYS 86 Cb 0.54 -1.67 0.13 0.00 -0.02 0.00 0.00 35.03 34.01 1mai n LYS 86 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1mai n PHE 87 N -3.88 0.00 -2.32 2.13 3.72 0.16 -4.51 117.46 112.76 1mai n PHE 87 Ca -0.37 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 56.95 1mai n PHE 87 Cb 0.89 -0.09 0.05 0.00 -0.94 0.00 0.00 39.48 39.40 1mai n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mai n ALA 88 N -0.93 3.65 -0.08 4.37 0.00 -0.89 -4.81 120.51 121.82 1mai n ALA 88 Ca 0.08 -3.18 0.03 0.00 0.00 0.00 0.00 53.44 50.37 1mai n ALA 88 Cb 0.37 -0.58 0.36 0.00 0.00 0.00 0.00 19.45 19.61 1mai n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mai h ARG 89 N 2.06 0.70 0.00 0.00 2.47 -1.79 -0.58 114.38 117.23 1mai h ARG 89 Ca 0.07 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1mai h ARG 89 Cb 1.42 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1mai h ARG 89 CO 0.38 0.46 0.00 0.38 0.56 0.00 0.00 179.97 181.75 1mai h ASP 90 N 0.72 0.00 -3.02 7.04 2.03 -1.95 -3.43 116.42 117.81 1mai h ASP 90 Ca 0.20 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.89 1mai h ASP 90 Cb -0.05 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.38 1mai h ASP 90 CO -0.05 0.00 -0.29 -0.63 -1.03 0.00 0.00 179.24 177.25 1mai s ILE 91 N -3.38 5.21 0.73 4.15 -1.09 -0.23 -5.06 121.20 121.53 1mai s ILE 91 Ca 0.04 0.64 -0.15 0.00 -2.23 0.00 0.00 60.65 58.95 1mai s ILE 91 Cb 0.09 -3.63 0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1mai s ILE 91 CO 0.42 0.53 1.21 -2.84 -1.23 0.00 0.00 174.94 173.03 1mai s PRO 92 N -0.60 2.12 0.35 2.79 0.02 -1.26 -4.93 135.00 133.50 1mai s PRO 92 Ca 0.20 1.76 0.05 0.00 0.02 0.00 0.00 61.00 63.04 1mai s PRO 92 Cb -0.15 -1.83 0.71 0.00 0.02 0.00 0.00 34.50 33.25 1mai s PRO 92 CO 0.09 -1.85 1.94 1.49 -0.33 0.00 0.00 177.00 178.34 1mai h GLU 93 N -0.31 0.77 -0.02 5.54 4.57 -1.95 -2.23 114.58 120.95 1mai h GLU 93 Ca -0.48 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1mai h GLU 93 Cb 1.30 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1mai h GLU 93 CO 0.50 0.51 0.00 -0.40 -1.18 0.00 0.00 179.01 178.44 1mai n ASP 94 N -4.49 0.51 -0.34 1.04 5.68 -1.26 -3.37 116.55 114.32 1mai n ASP 94 Ca 0.12 -1.30 0.03 0.00 -0.50 0.00 0.00 54.79 53.14 1mai n ASP 94 Cb 0.25 -0.01 0.07 0.00 -1.14 0.00 0.00 41.12 40.29 1mai n ASP 94 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1mai n ARG 95 N -0.54 2.38 -4.17 0.11 1.74 -0.84 -4.34 116.66 111.00 1mai n ARG 95 Ca 0.19 -1.64 -0.18 0.00 -0.77 0.00 0.00 57.85 55.45 1mai n ARG 95 Cb 0.17 -1.14 -0.12 0.00 -1.02 0.00 0.00 32.46 30.35 1mai n ARG 95 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mai s PHE 97 N -1.28 -0.30 0.01 0.00 -0.71 -0.16 -0.63 117.98 114.91 1mai s PHE 97 Ca -0.02 -0.02 0.02 0.00 -1.04 0.00 0.00 56.93 55.87 1mai s PHE 97 Cb -0.10 0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 42.24 1mai s PHE 97 CO 0.02 -0.97 -0.07 -1.12 -1.34 0.00 0.00 175.22 171.74 1mai s SER 98 N -2.84 0.82 -0.26 1.98 0.01 0.07 -0.12 113.70 113.36 1mai s SER 98 Ca 0.06 -0.27 -0.06 0.00 1.31 0.00 0.00 55.95 57.00 1mai s SER 98 Cb -0.02 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 1mai s SER 98 CO -0.04 -0.01 0.03 -0.63 0.41 0.00 0.00 173.24 173.00 1mai s ILE 99 N -0.56 3.81 -0.16 1.44 1.01 -0.42 -0.49 121.20 125.83 1mai s ILE 99 Ca -0.01 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 1mai s ILE 99 Cb -0.05 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1mai s ILE 99 CO 0.00 0.24 0.10 -0.69 0.00 0.00 0.00 174.94 174.59 1mai s VAL 100 N 1.51 5.15 0.20 2.92 1.01 -0.38 -1.59 120.40 129.23 1mai s VAL 100 Ca 0.04 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.16 1mai s VAL 100 Cb -0.16 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1mai s VAL 100 CO 0.01 0.52 0.27 -0.36 0.00 0.00 0.00 175.10 175.53 1mai s PHE 101 N -0.17 3.35 0.13 5.22 0.08 -1.26 -0.60 117.98 124.72 1mai s PHE 101 Ca 0.09 0.00 -0.01 0.00 0.12 0.00 0.00 56.93 57.13 1mai s PHE 101 Cb -0.12 -1.56 -0.12 0.00 -0.57 0.00 0.00 43.02 40.66 1mai s PHE 101 CO 0.01 0.49 1.29 0.87 -0.10 0.00 0.00 175.22 177.77 1mai h LYS 102 N 1.70 0.28 0.00 0.44 1.57 -1.45 -3.43 116.57 115.68 1mai h LYS 102 Ca -0.50 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 57.93 1mai h LYS 102 Cb 1.22 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1mai h LYS 102 CO 0.63 1.08 0.00 -0.40 -0.57 0.00 0.00 179.45 180.19 1mai n ASP 103 N -3.64 0.00 0.03 0.86 5.68 -1.26 -4.97 116.55 113.24 1mai n ASP 103 Ca -0.06 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.32 1mai n ASP 103 Cb 0.88 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 41.25 1mai n ASP 103 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mai n GLN 104 N 0.00 0.05 -1.67 0.11 0.00 -1.26 -4.81 117.38 109.79 1mai n GLN 104 Ca 0.00 0.25 -0.47 0.00 0.00 0.00 0.00 57.00 56.78 1mai n GLN 104 Cb 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 30.24 28.62 1mai n GLN 104 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1mai n ARG 105 N -1.67 2.13 -2.20 2.61 0.63 -1.26 -4.92 116.66 111.98 1mai n ARG 105 Ca 0.04 0.77 -0.39 0.00 -0.92 0.00 0.00 57.85 57.35 1mai n ARG 105 Cb 0.21 -2.56 -0.01 0.00 0.45 0.00 0.00 32.46 30.55 1mai n ARG 105 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1mai s ASN 106 N 1.93 6.48 0.28 6.15 -0.87 -1.26 -4.48 114.94 123.17 1mai s ASN 106 Ca 0.83 2.48 -0.30 0.00 -1.57 0.00 0.00 52.86 54.30 1mai s ASN 106 Cb -0.69 -2.63 -0.12 0.00 -0.02 0.00 0.00 41.25 37.79 1mai s ASN 106 CO 0.43 -0.72 1.60 0.41 -2.57 0.00 0.00 177.10 176.25 1mai n THR 107 N 0.18 0.95 -3.23 1.60 -1.04 -1.26 -4.85 114.28 106.62 1mai n THR 107 Ca 0.04 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.05 61.41 1mai n THR 107 Cb 0.45 -1.94 -0.08 0.00 -1.82 0.00 0.00 70.33 66.94 1mai n THR 107 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1mai s LEU 108 N -0.33 4.07 -0.29 -4.42 1.43 -0.62 -4.96 118.68 113.57 1mai s LEU 108 Ca 0.65 0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 54.14 1mai s LEU 108 Cb -0.50 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 1mai s LEU 108 CO 0.47 -0.31 0.15 -1.81 0.23 0.00 0.00 176.35 175.09 1mai s ASP 109 N 1.56 5.67 0.04 2.29 1.01 -1.26 -1.30 116.67 124.69 1mai s ASP 109 Ca 0.21 -0.24 0.07 0.00 0.71 0.00 0.00 52.55 53.30 1mai s ASP 109 Cb -0.16 -2.04 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1mai s ASP 109 CO 0.09 -0.10 -0.19 -0.76 0.21 0.00 0.00 175.17 174.42 1mai s LEU 110 N 1.68 2.17 -0.21 1.23 1.43 0.82 -1.31 118.68 124.49 1mai s LEU 110 Ca 0.06 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1mai s LEU 110 Cb -0.16 -0.89 -0.00 0.00 0.03 0.00 0.00 46.19 45.17 1mai s LEU 110 CO 0.08 0.13 -0.08 -0.63 0.23 0.00 0.00 176.35 176.08 1mai s ILE 111 N -0.81 3.06 0.13 -0.59 1.01 -0.27 -0.99 121.20 122.73 1mai s ILE 111 Ca 0.06 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 1mai s ILE 111 Cb -0.09 -2.37 -0.07 0.00 0.01 0.00 0.00 42.46 39.94 1mai s ILE 111 CO 0.02 0.45 0.66 0.00 0.00 0.00 0.00 174.94 176.07 1mai s ALA 112 N 1.43 3.52 0.43 9.38 0.00 0.18 -1.83 121.76 134.86 1mai s ALA 112 Ca 0.05 0.15 0.39 0.00 0.00 0.00 0.00 51.96 52.56 1mai s ALA 112 Cb -0.14 -2.76 2.08 0.00 0.00 0.00 0.00 23.12 22.30 1mai s ALA 112 CO -0.06 0.36 2.19 -1.00 0.00 0.00 0.00 175.76 177.26 1mai h PRO 113 N 4.25 0.00 -3.20 0.00 0.13 -1.86 -3.45 132.00 127.86 1mai h PRO 113 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1mai h PRO 113 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 1mai h PRO 113 CO 0.65 0.00 0.10 -1.54 -0.23 0.00 0.00 178.00 176.97 1mai s SER 114 N -4.96 -0.31 0.40 1.44 1.04 -1.26 -5.04 113.70 105.00 1mai s SER 114 Ca -0.04 -0.43 0.11 0.00 0.48 0.00 0.00 55.95 56.07 1mai s SER 114 Cb 0.11 0.61 0.83 0.00 0.10 0.00 0.00 66.02 67.67 1mai s SER 114 CO 0.38 -1.10 1.92 -0.65 0.98 0.00 0.00 173.24 174.78 1mai h PRO 115 N 2.13 0.14 -0.69 4.02 0.11 -1.86 -2.26 132.00 133.58 1mai h PRO 115 Ca -0.28 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1mai h PRO 115 Cb 1.27 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1mai h PRO 115 CO 0.35 0.33 0.37 0.00 -0.21 0.00 0.00 178.00 178.84 1mai h ALA 116 N 1.69 0.88 0.05 -0.75 0.00 -1.97 -1.02 119.26 118.14 1mai h ALA 116 Ca 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1mai h ALA 116 Cb 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1mai h ALA 116 CO 0.03 0.41 -0.02 -0.44 0.00 0.00 0.00 179.25 179.22 1mai h ASP 117 N 0.95 -0.05 -1.00 0.00 3.32 -1.81 -0.71 116.42 117.11 1mai h ASP 117 Ca 0.24 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.19 1mai h ASP 117 Cb 0.05 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.55 1mai h ASP 117 CO -0.04 0.14 0.65 0.00 -1.72 0.00 0.00 179.24 178.27 1mai h ALA 118 N 0.70 1.41 -0.02 3.45 0.00 -1.38 -1.67 119.26 121.75 1mai h ALA 118 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1mai h ALA 118 Cb 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1mai h ALA 118 CO 0.01 0.44 -0.04 0.37 0.00 0.00 0.00 179.25 180.03 1mai h GLN 119 N 1.17 -0.06 -0.26 0.00 5.75 -0.87 -1.01 115.11 119.84 1mai h GLN 119 Ca 0.43 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.95 1mai h GLN 119 Cb 0.17 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1mai h GLN 119 CO -0.17 -0.04 0.12 0.45 -2.65 0.00 0.00 178.83 176.54 1mai h HIS 120 N -0.06 0.22 0.04 3.99 3.86 -0.41 -0.23 115.15 122.56 1mai h HIS 120 Ca 0.02 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1mai h HIS 120 Cb 0.10 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1mai h HIS 120 CO -0.12 0.12 -0.02 -1.49 0.86 0.00 0.00 177.93 177.28 1mai h TRP 121 N 0.26 -0.05 0.94 2.45 4.06 -1.18 0.45 115.95 122.89 1mai h TRP 121 Ca 0.11 -0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.01 1mai h TRP 121 Cb 0.04 0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.22 1mai h TRP 121 CO -0.10 0.19 -0.45 0.28 -3.56 0.00 0.00 178.44 174.79 1mai h VAL 122 N -0.28 0.04 -0.64 1.49 2.07 -1.13 -0.13 116.25 117.67 1mai h VAL 122 Ca -0.01 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1mai h VAL 122 Cb 0.25 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1mai h VAL 122 CO 0.01 0.00 0.40 1.56 0.02 0.00 0.00 177.57 179.56 1mai h GLN 123 N -1.30 0.78 -0.24 1.57 1.08 -1.12 -0.49 115.11 115.38 1mai h GLN 123 Ca -0.13 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 1mai h GLN 123 Cb 0.97 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1mai h GLN 123 CO 0.21 0.52 0.11 0.78 -0.95 0.00 0.00 178.83 179.50 1mai h GLY 124 N 0.80 0.38 1.15 3.46 0.00 -0.03 -1.87 103.07 106.97 1mai h GLY 124 Ca 0.25 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 1mai h GLY 124 CO -0.09 0.18 -0.28 1.41 0.00 0.00 0.00 176.54 177.77 1mai h LEU 125 N 0.26 0.99 -1.43 3.11 3.38 -0.88 -2.67 115.31 118.06 1mai h LEU 125 Ca 0.08 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1mai h LEU 125 Cb 0.13 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1mai h LEU 125 CO -0.01 1.20 0.39 0.03 0.09 0.00 0.00 178.44 180.13 1mai h ARG 126 N 0.81 0.75 -0.58 1.13 3.08 -0.98 0.82 114.38 119.42 1mai h ARG 126 Ca 0.09 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1mai h ARG 126 Cb 0.86 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1mai h ARG 126 CO 0.08 0.50 0.10 0.87 -1.07 0.00 0.00 179.97 180.44 1mai h LYS 127 N 0.77 0.96 -0.03 0.04 1.57 -1.06 -2.00 116.57 116.83 1mai h LYS 127 Ca 0.22 -0.25 -0.23 0.00 -1.87 0.00 0.00 60.65 58.52 1mai h LYS 127 Cb -0.06 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1mai h LYS 127 CO -0.05 0.91 -0.91 0.82 -0.57 0.00 0.00 179.45 179.65 1mai h ILE 128 N 0.85 1.37 0.00 1.86 1.08 -1.00 -3.19 117.51 118.49 1mai h ILE 128 Ca 0.18 -2.32 -0.08 0.00 -0.39 0.00 0.00 64.86 62.25 1mai h ILE 128 Cb 0.41 2.32 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 1mai h ILE 128 CO 0.01 0.70 -0.37 0.40 -0.69 0.00 0.00 178.15 178.20 1mai h ILE 129 N 0.29 1.13 -0.01 -0.67 2.04 -0.82 -3.51 117.51 115.97 1mai h ILE 129 Ca -0.08 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1mai h ILE 129 Cb 1.54 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1mai h ILE 129 CO 0.16 0.37 0.00 1.41 0.00 0.00 0.00 178.15 180.09