#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwi s LEU 5 N -5.27 3.24 0.23 0.00 1.43 -1.26 -4.95 118.68 112.10 1jwi s LEU 5 Ca 0.60 1.59 -0.31 0.00 -1.03 0.00 0.00 54.13 54.99 1jwi s LEU 5 Cb -0.11 -4.50 -0.14 0.00 0.03 0.00 0.00 46.19 41.47 1jwi s LEU 5 CO 0.45 -1.22 1.21 -2.65 0.23 0.00 0.00 176.35 174.37 1jwi n PRO 6 N -2.79 1.55 -1.06 1.29 -0.02 -1.26 -2.08 135.00 130.62 1jwi n PRO 6 Ca 0.07 0.55 -0.02 0.00 -2.02 0.00 0.00 63.50 62.08 1jwi n PRO 6 Cb 0.54 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 1jwi n PRO 6 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jwi n ASP 7 N 1.79 -4.27 -4.79 2.55 8.00 -1.26 -5.01 116.55 113.56 1jwi n ASP 7 Ca 0.12 0.05 -0.34 0.00 0.71 0.00 0.00 54.79 55.32 1jwi n ASP 7 Cb 0.29 -1.95 -0.07 0.00 -0.02 0.00 0.00 41.12 39.37 1jwi n ASP 7 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1jwi s TRP 8 N -1.73 3.35 0.02 1.24 0.52 -0.88 -4.86 118.94 116.59 1jwi s TRP 8 Ca 0.00 0.29 -0.12 0.00 0.02 0.00 0.00 56.10 56.29 1jwi s TRP 8 Cb 0.00 -1.81 -0.06 0.00 -1.15 0.00 0.00 33.47 30.46 1jwi s TRP 8 CO 0.00 0.58 0.38 0.45 0.02 0.00 0.00 176.95 178.39 1jwi s SER 9 N -1.35 6.72 0.03 2.95 0.15 0.19 -4.84 113.70 117.55 1jwi s SER 9 Ca 0.19 0.87 0.01 0.00 0.70 0.00 0.00 55.95 57.71 1jwi s SER 9 Cb -0.12 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1jwi s SER 9 CO 0.09 0.28 0.07 -0.94 1.20 0.00 0.00 173.24 173.94 1jwi s SER 10 N -1.31 5.58 -0.30 5.45 1.04 -1.26 0.06 113.70 122.96 1jwi s SER 10 Ca 0.26 0.08 -0.10 0.00 0.48 0.00 0.00 55.95 56.67 1jwi s SER 10 Cb -0.15 -1.56 0.14 0.00 0.10 0.00 0.00 66.02 64.55 1jwi s SER 10 CO 0.14 0.24 0.69 -0.47 0.98 0.00 0.00 173.24 174.82 1jwi s TYR 11 N -1.26 -1.29 -1.31 5.02 6.14 -0.69 -4.99 117.35 118.98 1jwi s TYR 11 Ca 0.25 2.11 -0.19 0.00 0.64 0.00 0.00 57.07 59.88 1jwi s TYR 11 Cb -0.12 0.73 0.02 0.00 0.42 0.00 0.00 41.96 43.00 1jwi s TYR 11 CO 0.17 -0.65 0.50 1.63 0.64 0.00 0.00 175.55 177.84 1jwi n LYS 12 N 5.39 -1.06 -0.96 4.97 5.02 -1.26 -1.67 118.16 128.59 1jwi n LYS 12 Ca -0.10 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1jwi n LYS 12 Cb 0.50 -3.38 0.00 0.00 -0.02 0.00 0.00 35.03 32.13 1jwi n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jwi n GLY 13 N -2.12 0.58 3.40 0.72 0.00 -1.26 -5.02 105.19 101.49 1jwi n GLY 13 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1jwi n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jwi s HIS 14 N -2.51 1.90 -0.02 1.61 3.76 -0.67 -1.89 115.29 117.47 1jwi s HIS 14 Ca 0.00 -0.61 0.07 0.00 -0.15 0.00 0.00 55.06 54.37 1jwi s HIS 14 Cb 0.00 -0.98 -0.02 0.00 1.11 0.00 0.00 32.58 32.69 1jwi s HIS 14 CO 0.00 0.36 -0.23 0.00 -0.85 0.00 0.00 174.74 174.03 1jwi s TYR 16 N -0.66 0.99 -0.19 0.00 2.02 0.11 -1.75 117.35 117.87 1jwi s TYR 16 Ca 0.11 -0.45 -0.07 0.00 -0.37 0.00 0.00 57.07 56.29 1jwi s TYR 16 Cb -0.10 -0.57 0.09 0.00 -0.40 0.00 0.00 41.96 40.97 1jwi s TYR 16 CO -0.00 0.00 0.40 0.21 -1.57 0.00 0.00 175.55 174.59 1jwi s LYS 17 N -1.55 0.31 -0.08 -0.62 2.20 -0.78 0.55 119.74 119.76 1jwi s LYS 17 Ca -0.04 0.99 -0.22 0.00 -0.36 0.00 0.00 55.97 56.34 1jwi s LYS 17 Cb -0.09 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.46 1jwi s LYS 17 CO 0.01 -0.25 0.63 0.08 -0.36 0.00 0.00 175.35 175.47 1jwi s VAL 18 N 2.51 5.09 -0.20 4.02 1.01 -1.26 -1.35 120.40 130.22 1jwi s VAL 18 Ca -0.02 1.29 -0.04 0.00 0.00 0.00 0.00 61.98 63.21 1jwi s VAL 18 Cb -0.12 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1jwi s VAL 18 CO -0.12 0.27 -0.04 -0.36 0.00 0.00 0.00 175.10 174.85 1jwi s PHE 19 N 0.77 2.97 0.16 5.22 0.40 0.11 -4.99 117.98 122.61 1jwi s PHE 19 Ca 0.34 -0.74 -0.04 0.00 -0.60 0.00 0.00 56.93 55.89 1jwi s PHE 19 Cb -0.17 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.32 1jwi s PHE 19 CO 0.15 -0.40 1.42 -0.22 0.70 0.00 0.00 175.22 176.87 1jwi h LYS 20 N 7.72 0.51 -6.32 0.44 3.64 -1.97 -2.35 116.57 118.22 1jwi h LYS 20 Ca -0.38 -0.40 -0.65 0.00 -1.27 0.00 0.00 60.65 57.95 1jwi h LYS 20 Cb 1.17 0.08 0.05 0.00 -0.41 0.00 0.00 32.23 33.12 1jwi h LYS 20 CO 0.60 1.03 0.66 1.55 -2.27 0.00 0.00 179.45 181.01 1jwi n VAL 21 N -3.88 0.08 -3.19 2.00 3.14 -1.26 -4.47 118.33 110.76 1jwi n VAL 21 Ca -0.05 -0.01 -0.39 0.00 -2.96 0.00 0.00 64.34 60.93 1jwi n VAL 21 Cb 0.70 -1.16 -0.05 0.00 -1.06 0.00 0.00 33.84 32.27 1jwi n VAL 21 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1jwi s GLU 22 N 1.26 4.38 0.15 1.45 2.02 -1.26 -4.51 118.70 122.18 1jwi s GLU 22 Ca 0.85 0.65 -0.01 0.00 0.02 0.00 0.00 54.97 56.48 1jwi s GLU 22 Cb -0.87 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 29.88 1jwi s GLU 22 CO 0.47 0.10 0.07 0.15 0.02 0.00 0.00 175.26 176.07 1jwi s LYS 23 N 0.75 0.99 0.87 1.61 1.02 -0.86 -4.70 119.74 119.41 1jwi s LYS 23 Ca 0.31 -1.48 -0.12 0.00 0.02 0.00 0.00 55.97 54.70 1jwi s LYS 23 Cb -0.16 0.24 0.11 0.00 -0.52 0.00 0.00 37.83 37.50 1jwi s LYS 23 CO 0.14 -0.29 1.10 0.95 -0.92 0.00 0.00 175.35 176.33 1jwi s THR 24 N -4.07 2.73 0.11 2.17 -4.23 -1.24 -1.54 115.64 109.58 1jwi s THR 24 Ca 0.27 0.24 -0.26 0.00 -1.18 0.00 0.00 61.69 60.76 1jwi s THR 24 Cb 0.07 -2.83 -0.08 0.00 1.34 0.00 0.00 72.50 71.01 1jwi s THR 24 CO 0.04 -0.31 1.65 -0.25 -0.54 0.00 0.00 174.62 175.21 1jwi h TRP 25 N -1.40 -0.62 -0.60 3.99 7.01 -1.65 -0.56 115.95 122.11 1jwi h TRP 25 Ca -0.49 0.01 0.06 0.00 2.11 0.00 0.00 58.89 60.59 1jwi h TRP 25 Cb 1.28 0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 28.55 1jwi h TRP 25 CO 0.42 -0.33 0.30 0.00 -2.79 0.00 0.00 178.44 176.05 1jwi h ALA 26 N 0.38 0.79 -0.60 2.65 0.00 -1.93 -1.24 119.26 119.32 1jwi h ALA 26 Ca 0.04 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1jwi h ALA 26 Cb 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1jwi h ALA 26 CO -0.15 -0.05 0.15 -0.44 0.00 0.00 0.00 179.25 178.75 1jwi h ASP 27 N 0.56 0.87 -0.24 0.00 3.45 -1.85 -2.04 116.42 117.17 1jwi h ASP 27 Ca 0.28 -0.16 -0.03 0.00 0.43 0.00 0.00 57.03 57.54 1jwi h ASP 27 Cb 0.21 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1jwi h ASP 27 CO -0.20 0.84 0.02 0.00 -1.57 0.00 0.00 179.24 178.33 1jwi h ALA 28 N 1.27 0.33 -0.52 3.45 0.00 -0.42 -0.05 119.26 123.32 1jwi h ALA 28 Ca 0.19 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jwi h ALA 28 Cb 0.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1jwi h ALA 28 CO -0.00 0.04 0.34 1.49 0.00 0.00 0.00 179.25 181.11 1jwi h GLU 29 N 0.21 0.67 -0.54 0.00 4.57 -1.11 -1.28 114.58 117.10 1jwi h GLU 29 Ca 0.07 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1jwi h GLU 29 Cb 0.37 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1jwi h GLU 29 CO 0.01 0.44 0.21 -0.22 -1.18 0.00 0.00 179.01 178.27 1jwi h LYS 30 N 0.69 0.81 -0.67 1.92 3.11 -1.27 -1.72 116.57 119.44 1jwi h LYS 30 Ca 0.19 -0.15 0.06 0.00 -2.81 0.00 0.00 60.65 57.95 1jwi h LYS 30 Cb -0.07 -0.13 -0.06 0.00 -1.00 0.00 0.00 32.23 30.98 1jwi h LYS 30 CO -0.05 0.71 0.36 0.35 -2.81 0.00 0.00 179.45 178.02 1jwi h PHE 31 N 0.73 0.67 -0.59 1.91 3.04 -0.52 -1.35 116.94 120.83 1jwi h PHE 31 Ca 0.18 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.09 1jwi h PHE 31 Cb 0.21 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1jwi h PHE 31 CO 0.01 0.31 0.13 0.00 -2.02 0.00 0.00 178.31 176.73 1jwi h LYS 33 N 0.86 0.85 0.00 0.00 1.57 -0.70 -2.76 116.57 116.40 1jwi h LYS 33 Ca 0.18 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1jwi h LYS 33 Cb 0.37 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1jwi h LYS 33 CO 0.01 0.68 -0.37 1.05 -0.57 0.00 0.00 179.45 180.24 1jwi h GLU 34 N 0.85 0.00 -0.16 3.15 -0.00 -1.12 -3.35 114.58 113.94 1jwi h GLU 34 Ca 0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.44 1jwi h GLU 34 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.87 1jwi h GLU 34 CO -0.02 0.00 -0.39 1.25 -0.00 0.00 0.00 179.01 179.85 1jwi h LEU 35 N 0.00 0.62 -7.45 3.06 5.85 -1.09 -3.47 115.31 112.83 1jwi h LEU 35 Ca 0.00 -0.57 -0.09 0.00 0.84 0.00 0.00 57.88 58.06 1jwi h LEU 35 Cb 0.80 -0.18 -0.17 0.00 0.37 0.00 0.00 40.66 41.48 1jwi h LEU 35 CO 0.00 1.08 -0.17 0.54 -0.34 0.00 0.00 178.44 179.55 1jwi s VAL 36 N -3.96 0.06 -0.05 1.05 0.11 -1.21 -5.08 120.40 111.31 1jwi s VAL 36 Ca -0.13 -0.53 -0.30 0.00 -2.93 0.00 0.00 61.98 58.10 1jwi s VAL 36 Cb 0.06 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1jwi s VAL 36 CO 0.82 -0.29 1.62 0.21 -3.33 0.00 0.00 175.10 174.13 1jwi s ASN 37 N -1.89 6.69 0.00 3.54 2.47 -1.26 -1.59 114.94 122.89 1jwi s ASN 37 Ca -0.07 2.22 0.00 0.00 0.42 0.00 0.00 52.86 55.43 1jwi s ASN 37 Cb -0.01 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 1jwi s ASN 37 CO -0.01 -0.91 0.00 0.61 -3.72 0.00 0.00 177.10 173.07 1jwi n GLY 38 N 4.08 0.74 3.77 1.21 0.00 -1.26 -4.88 105.19 108.84 1jwi n GLY 38 Ca 0.17 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1jwi n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jwi s GLY 39 N -2.01 2.93 0.26 -0.02 0.00 -0.62 -4.53 107.32 103.33 1jwi s GLY 39 Ca 0.00 0.54 -0.19 0.00 0.00 0.00 0.00 44.72 45.08 1jwi s GLY 39 CO 0.00 1.04 0.63 0.30 0.00 0.00 0.00 173.10 175.07 1jwi s HIS 40 N -1.42 -0.04 0.52 1.90 3.76 -0.89 -3.34 115.29 115.77 1jwi s HIS 40 Ca 0.46 -0.37 -0.22 0.00 -0.15 0.00 0.00 55.06 54.77 1jwi s HIS 40 Cb -0.22 0.54 -0.06 0.00 1.11 0.00 0.00 32.58 33.95 1jwi s HIS 40 CO 0.27 -1.13 1.34 -1.17 -0.85 0.00 0.00 174.74 173.19 1jwi s LEU 41 N -2.94 3.92 0.39 0.89 2.96 -1.26 -1.01 118.68 121.63 1jwi s LEU 41 Ca 0.14 2.72 -0.27 0.00 -0.22 0.00 0.00 54.13 56.49 1jwi s LEU 41 Cb -0.04 -4.21 -0.11 0.00 0.50 0.00 0.00 46.19 42.33 1jwi s LEU 41 CO 0.06 -1.40 1.42 0.80 -1.32 0.00 0.00 176.35 175.90 1jwi n MET 42 N -0.80 2.41 -4.34 1.98 0.00 0.05 -4.22 117.12 112.20 1jwi n MET 42 Ca 0.09 0.85 -0.33 0.00 -0.00 0.00 0.00 57.70 58.31 1jwi n MET 42 Cb 0.45 -2.57 -0.09 0.00 0.00 0.00 0.00 33.22 31.01 1jwi n MET 42 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1jwi s SER 43 N -0.27 5.07 -0.32 6.12 1.04 -1.26 -0.46 113.70 123.61 1jwi s SER 43 Ca 0.56 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.98 1jwi s SER 43 Cb -0.49 -1.33 0.06 0.00 0.10 0.00 0.00 66.02 64.35 1jwi s SER 43 CO 0.62 0.31 0.05 -0.69 0.98 0.00 0.00 173.24 174.51 1jwi s VAL 44 N -1.01 3.20 -1.66 5.02 1.01 -1.26 -4.97 120.40 120.73 1jwi s VAL 44 Ca 0.17 -1.43 0.16 0.00 0.00 0.00 0.00 61.98 60.88 1jwi s VAL 44 Cb -0.11 -2.89 0.28 0.00 0.00 0.00 0.00 36.38 33.66 1jwi s VAL 44 CO 0.08 -0.21 1.19 0.59 0.00 0.00 0.00 175.10 176.75 1jwi n ASN 45 N 4.66 2.83 -3.53 3.32 5.03 -1.26 -5.00 115.26 121.31 1jwi n ASN 45 Ca -0.11 -1.83 -0.10 0.00 0.87 0.00 0.00 54.58 53.40 1jwi n ASN 45 Cb 0.43 -0.17 -0.03 0.00 -1.02 0.00 0.00 39.78 38.99 1jwi n ASN 45 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1jwi s SER 46 N -1.17 -0.40 0.29 6.41 1.04 -1.26 -5.03 113.70 113.59 1jwi s SER 46 Ca 0.26 0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.88 1jwi s SER 46 Cb 0.15 0.37 0.43 0.00 0.10 0.00 0.00 66.02 67.08 1jwi s SER 46 CO 0.21 -0.53 1.97 -0.09 0.98 0.00 0.00 173.24 175.78 1jwi h ARG 47 N 2.29 1.11 -0.72 4.02 2.43 -1.99 -2.10 114.38 119.41 1jwi h ARG 47 Ca -0.21 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 58.82 1jwi h ARG 47 Cb 1.21 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1jwi h ARG 47 CO 0.32 0.73 0.19 0.93 -1.51 0.00 0.00 179.97 180.63 1jwi h GLU 48 N 1.14 1.14 -0.51 0.20 3.07 -1.99 -1.40 114.58 116.23 1jwi h GLU 48 Ca 0.31 -0.27 -0.08 0.00 -0.50 0.00 0.00 59.36 58.83 1jwi h GLU 48 Cb -0.13 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.60 1jwi h GLU 48 CO -0.07 0.99 0.02 1.49 -1.40 0.00 0.00 179.01 180.04 1jwi h GLU 49 N 1.09 0.89 -0.46 2.33 4.81 -1.87 -1.84 114.58 119.53 1jwi h GLU 49 Ca 0.23 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1jwi h GLU 49 Cb 0.35 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1jwi h GLU 49 CO -0.00 0.91 0.25 0.78 -0.73 0.00 0.00 179.01 180.22 1jwi h GLY 50 N 0.76 0.64 1.11 1.92 0.00 -1.00 -2.03 103.07 104.46 1jwi h GLY 50 Ca 0.15 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1jwi h GLY 50 CO 0.02 0.13 0.24 0.83 0.00 0.00 0.00 176.54 177.76 1jwi h GLU 51 N 0.49 1.12 -0.12 4.80 5.08 -1.13 -2.06 114.58 122.76 1jwi h GLU 51 Ca 0.19 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1jwi h GLU 51 Cb 0.08 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1jwi h GLU 51 CO -0.12 0.94 0.01 0.35 -1.00 0.00 0.00 179.01 179.19 1jwi h PHE 52 N 1.08 0.01 -0.42 4.33 3.57 -0.76 -2.25 116.94 122.50 1jwi h PHE 52 Ca 0.24 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 1jwi h PHE 52 Cb 0.28 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1jwi h PHE 52 CO 0.02 -0.00 -0.20 0.97 -2.23 0.00 0.00 178.31 176.87 1jwi h ILE 53 N 0.05 1.27 -0.61 1.41 6.09 -1.27 -2.70 117.51 121.75 1jwi h ILE 53 Ca 0.05 -1.32 -0.01 0.00 -1.37 0.00 0.00 64.86 62.21 1jwi h ILE 53 Cb 0.06 1.16 -0.03 0.00 0.47 0.00 0.00 36.82 38.48 1jwi h ILE 53 CO -0.09 0.45 0.33 0.28 -3.07 0.00 0.00 178.15 176.05 1jwi h SER 54 N 0.72 0.76 -0.65 2.19 0.02 -1.24 -0.95 113.55 114.40 1jwi h SER 54 Ca 0.10 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1jwi h SER 54 Cb 0.73 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1jwi h SER 54 CO 0.06 0.64 0.23 0.11 -1.14 0.00 0.00 176.83 176.73 1jwi h LYS 55 N 0.82 1.03 -0.03 3.45 6.56 -1.34 -0.35 116.57 126.71 1jwi h LYS 55 Ca 0.21 -0.20 -0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1jwi h LYS 55 Cb 0.06 -0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 31.55 1jwi h LYS 55 CO -0.03 0.87 -0.00 1.25 -2.06 0.00 0.00 179.45 179.47 1jwi h LEU 56 N 1.00 0.05 -0.40 2.94 5.85 -1.15 -1.89 115.31 121.70 1jwi h LEU 56 Ca 0.22 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 1jwi h LEU 56 Cb 0.26 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1jwi h LEU 56 CO -0.01 0.35 -0.05 0.00 -0.34 0.00 0.00 178.44 178.39 1jwi h ALA 57 N 0.69 0.55 0.13 1.25 0.00 -1.06 -2.66 119.26 118.15 1jwi h ALA 57 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1jwi h ALA 57 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jwi h ALA 57 CO 0.00 0.37 -0.06 1.25 0.00 0.00 0.00 179.25 180.81 1jwi h LEU 58 N 0.56 -0.14 -0.66 0.00 5.85 -1.04 0.21 115.31 120.08 1jwi h LEU 58 Ca 0.11 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1jwi h LEU 58 Cb 0.55 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1jwi h LEU 58 CO 0.03 0.15 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.95 1jwi h GLU 59 N -0.68 1.04 0.00 1.25 5.08 -1.51 0.33 114.58 120.09 1jwi h GLU 59 Ca -0.02 -0.33 -0.24 0.00 -1.00 0.00 0.00 59.36 57.78 1jwi h GLU 59 Cb 0.13 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1jwi h GLU 59 CO 0.03 1.02 -1.46 0.87 -1.00 0.00 0.00 179.01 178.47 1jwi h LYS 60 N 0.95 0.00 0.00 2.33 1.79 -1.51 -3.40 116.57 116.72 1jwi h LYS 60 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1jwi h LYS 60 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1jwi h LYS 60 CO 0.03 0.53 0.00 -1.33 -1.08 0.00 0.00 179.45 177.60 1jwi n MET 61 N -3.07 -0.60 -3.65 3.15 2.81 -1.08 -5.03 117.12 109.65 1jwi n MET 61 Ca -0.11 -0.31 -0.21 0.00 -1.81 0.00 0.00 57.70 55.26 1jwi n MET 61 Cb 0.97 -0.80 0.05 0.00 -0.71 0.00 0.00 33.22 32.72 1jwi n MET 61 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1jwi n ARG 62 N -0.00 -5.47 -4.75 0.03 1.74 0.12 -4.92 116.66 103.41 1jwi n ARG 62 Ca 0.00 0.68 -0.33 0.00 -0.77 0.00 0.00 57.85 57.43 1jwi n ARG 62 Cb 0.10 -5.39 -0.15 0.00 -1.02 0.00 0.00 32.46 26.00 1jwi n ARG 62 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jwi s ILE 63 N -3.56 2.74 -0.16 0.55 1.01 0.57 -4.95 121.20 117.41 1jwi s ILE 63 Ca 0.08 -0.76 0.17 0.00 0.00 0.00 0.00 60.65 60.14 1jwi s ILE 63 Cb -0.04 -2.14 -0.25 0.00 0.01 0.00 0.00 42.46 40.04 1jwi s ILE 63 CO 0.79 0.53 0.22 1.33 0.00 0.00 0.00 174.94 177.80 1jwi n VAL 64 N 3.74 1.32 -4.73 2.92 0.24 -1.26 -3.28 118.33 117.28 1jwi n VAL 64 Ca -0.19 -0.82 -0.25 0.00 -2.04 0.00 0.00 64.34 61.04 1jwi n VAL 64 Cb 0.52 -0.53 -0.16 0.00 -1.47 0.00 0.00 33.84 32.20 1jwi n VAL 64 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1jwi s LEU 65 N -5.53 1.80 0.03 1.34 1.43 -1.26 0.40 118.68 116.89 1jwi s LEU 65 Ca -0.09 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1jwi s LEU 65 Cb 0.07 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 1jwi s LEU 65 CO 0.83 0.09 -0.07 0.68 0.23 0.00 0.00 176.35 178.12 1jwi s VAL 66 N 0.35 0.50 0.35 -1.59 -7.23 -0.87 -4.01 120.40 107.90 1jwi s VAL 66 Ca -0.10 -0.87 -0.27 0.00 -1.81 0.00 0.00 61.98 58.93 1jwi s VAL 66 Cb -0.14 -0.53 -0.09 0.00 0.56 0.00 0.00 36.38 36.18 1jwi s VAL 66 CO 0.03 -0.27 1.16 0.26 -0.31 0.00 0.00 175.10 175.97 1jwi s TRP 67 N -1.08 3.26 0.21 2.82 0.23 -0.68 -0.56 118.94 123.15 1jwi s TRP 67 Ca -0.07 1.59 0.09 0.00 -2.03 0.00 0.00 56.10 55.68 1jwi s TRP 67 Cb -0.08 -3.38 -0.05 0.00 0.03 0.00 0.00 33.47 30.00 1jwi s TRP 67 CO 0.00 -1.08 -0.16 0.96 0.96 0.00 0.00 176.95 177.63 1jwi s ILE 68 N -1.31 1.92 0.00 2.03 -4.36 -0.92 -3.99 121.20 114.58 1jwi s ILE 68 Ca 0.51 -2.21 -0.02 0.00 -0.26 0.00 0.00 60.65 58.68 1jwi s ILE 68 Cb -0.32 -2.07 -0.08 0.00 1.25 0.00 0.00 42.46 41.25 1jwi s ILE 68 CO 0.41 -0.50 1.71 0.61 0.24 0.00 0.00 174.94 177.40 1jwi n GLY 69 N -0.31 1.88 3.05 6.27 0.00 0.39 -4.62 105.19 111.84 1jwi n GLY 69 Ca -0.08 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 1jwi n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jwi s LEU 70 N 0.00 1.71 -0.07 0.99 2.96 -1.26 -4.97 118.68 118.03 1jwi s LEU 70 Ca 0.20 -0.39 -0.30 0.00 -0.22 0.00 0.00 54.13 53.41 1jwi s LEU 70 Cb 0.09 -1.02 0.09 0.00 0.50 0.00 0.00 46.19 45.85 1jwi s LEU 70 CO 0.00 0.03 0.78 -0.55 -1.32 0.00 0.00 176.35 175.29 1jwi s SER 71 N 0.84 -0.56 0.14 3.68 0.15 -1.26 -2.55 113.70 114.14 1jwi s SER 71 Ca -0.10 0.56 -0.24 0.00 0.70 0.00 0.00 55.95 56.87 1jwi s SER 71 Cb -0.15 0.47 0.07 0.00 -1.71 0.00 0.00 66.02 64.69 1jwi s SER 71 CO 0.01 -0.55 0.72 -1.38 1.20 0.00 0.00 173.24 173.25 1jwi s HIS 72 N -1.36 -0.40 0.11 3.44 -3.43 -0.74 -4.96 115.29 107.95 1jwi s HIS 72 Ca -0.07 0.15 0.07 0.00 -0.80 0.00 0.00 55.06 54.41 1jwi s HIS 72 Cb -0.00 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.69 1jwi s HIS 72 CO 0.06 -0.84 -0.08 -0.06 -2.00 0.00 0.00 174.74 171.82 1jwi s PHE 73 N -3.58 2.78 0.45 0.38 0.40 -1.26 -0.21 117.98 116.94 1jwi s PHE 73 Ca 0.05 -0.14 0.11 0.00 -0.60 0.00 0.00 56.93 56.35 1jwi s PHE 73 Cb -0.02 -1.44 1.00 0.00 0.51 0.00 0.00 43.02 43.07 1jwi s PHE 73 CO -0.07 0.44 2.06 -1.49 0.70 0.00 0.00 175.22 176.86 1jwi h TRP 74 N 3.49 0.26 -0.71 0.36 -0.00 -1.84 -2.01 115.95 115.50 1jwi h TRP 74 Ca -0.48 -0.00 0.21 0.00 -0.00 0.00 0.00 58.89 58.61 1jwi h TRP 74 Cb 1.17 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.16 30.22 1jwi h TRP 74 CO 0.61 0.21 0.64 -0.09 -0.00 0.00 0.00 178.44 179.81 1jwi h ARG 75 N 0.27 0.00 -0.57 0.49 2.43 -1.95 0.51 114.38 115.57 1jwi h ARG 75 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1jwi h ARG 75 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1jwi h ARG 75 CO -0.01 0.00 0.00 0.44 -1.51 0.00 0.00 179.97 178.89 1jwi n ILE 76 N -3.85 1.64 -4.17 1.20 -5.35 -0.76 -4.96 119.36 103.10 1jwi n ILE 76 Ca 0.14 -1.21 -0.32 0.00 -0.27 0.00 0.00 62.75 61.09 1jwi n ILE 76 Cb 0.90 0.20 -0.08 0.00 -1.74 0.00 0.00 39.64 38.92 1jwi n ILE 76 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jwi n PRO 78 N 0.99 1.96 -2.90 0.00 -0.04 -1.26 -4.93 135.00 128.82 1jwi n PRO 78 Ca -0.12 -2.23 -0.41 0.00 -0.04 0.00 0.00 63.50 60.70 1jwi n PRO 78 Cb 0.52 -3.18 -0.04 0.00 -0.04 0.00 0.00 33.50 30.77 1jwi n PRO 78 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jwi s LEU 79 N 3.18 4.27 0.04 1.53 1.43 -1.26 -5.04 118.68 122.83 1jwi s LEU 79 Ca 0.56 1.30 0.05 0.00 -1.03 0.00 0.00 54.13 55.02 1jwi s LEU 79 Cb 0.11 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 1jwi s LEU 79 CO 0.07 -0.26 -0.14 -0.13 0.23 0.00 0.00 176.35 176.12 1jwi s ARG 80 N 1.38 0.92 0.17 1.70 1.81 -1.26 -4.85 118.95 118.82 1jwi s ARG 80 Ca 0.41 -0.78 -0.23 0.00 -1.72 0.00 0.00 55.73 53.41 1jwi s ARG 80 Cb -0.18 -0.93 -0.08 0.00 -0.45 0.00 0.00 34.95 33.31 1jwi s ARG 80 CO 0.18 0.23 0.74 -1.58 -0.68 0.00 0.00 175.30 174.19 1jwi s TRP 81 N -0.90 3.83 0.50 -0.53 0.52 -1.26 -4.94 118.94 116.15 1jwi s TRP 81 Ca 0.01 1.54 0.42 0.00 0.02 0.00 0.00 56.10 58.08 1jwi s TRP 81 Cb -0.08 -2.70 2.13 0.00 -1.15 0.00 0.00 33.47 31.67 1jwi s TRP 81 CO 0.01 0.48 2.26 0.00 0.02 0.00 0.00 176.95 179.72 1jwi h THR 82 N 3.19 0.00 -0.56 2.01 1.03 -2.00 -1.88 112.91 114.70 1jwi h THR 82 Ca -0.48 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 65.78 1jwi h THR 82 Cb 1.20 1.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.42 1jwi h THR 82 CO 0.65 0.00 0.00 -0.90 -0.01 0.00 0.00 175.52 175.26 1jwi n ASP 83 N -3.07 3.43 0.00 0.00 3.85 -1.26 -4.95 116.55 114.55 1jwi n ASP 83 Ca -0.02 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 1jwi n ASP 83 Cb 0.14 -0.37 0.00 0.00 -1.35 0.00 0.00 41.12 39.54 1jwi n ASP 83 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jwi n GLY 84 N 1.52 2.68 3.49 6.12 0.00 -0.71 -5.02 105.19 113.28 1jwi n GLY 84 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1jwi n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jwi n ALA 85 N -0.55 -1.57 -1.99 4.61 0.00 -1.26 -4.90 120.51 114.85 1jwi n ALA 85 Ca 0.00 -0.37 -0.34 0.00 0.00 0.00 0.00 53.44 52.73 1jwi n ALA 85 Cb 0.00 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 1jwi n ALA 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jwi s ARG 86 N -3.28 4.21 -0.98 0.00 1.81 -1.26 -4.23 118.95 115.22 1jwi s ARG 86 Ca 0.64 0.93 -0.21 0.00 -1.72 0.00 0.00 55.73 55.38 1jwi s ARG 86 Cb -0.30 -2.52 0.09 0.00 -0.45 0.00 0.00 34.95 31.78 1jwi s ARG 86 CO 0.60 0.18 1.30 -1.17 -0.68 0.00 0.00 175.30 175.52 1jwi s LEU 87 N -2.68 4.22 0.00 2.53 2.96 -1.26 -4.79 118.68 119.67 1jwi s LEU 87 Ca 0.53 -1.72 0.00 0.00 -0.22 0.00 0.00 54.13 52.72 1jwi s LEU 87 Cb -0.13 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.07 1jwi s LEU 87 CO 0.18 -1.30 0.00 0.47 -1.32 0.00 0.00 176.35 174.38 1jwi n ASP 88 N 7.80 0.00 -4.76 3.68 10.43 -1.26 -4.94 116.55 127.50 1jwi n ASP 88 Ca 0.29 0.03 -0.40 0.00 2.57 0.00 0.00 54.79 57.27 1jwi n ASP 88 Cb 0.50 -0.07 -0.04 0.00 1.84 0.00 0.00 41.12 43.35 1jwi n ASP 88 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1jwi s TYR 89 N -0.14 3.55 -0.02 1.24 5.04 -1.26 -5.05 117.35 120.71 1jwi s TYR 89 Ca 0.00 1.67 -0.02 0.00 -2.44 0.00 0.00 57.07 56.28 1jwi s TYR 89 Cb 0.00 -3.31 0.00 0.00 0.35 0.00 0.00 41.96 39.00 1jwi s TYR 89 CO 0.00 -0.64 0.06 -0.98 -1.34 0.00 0.00 175.55 172.64 1jwi s ARG 90 N -1.40 0.13 -0.31 4.97 1.70 -1.26 -5.04 118.95 117.75 1jwi s ARG 90 Ca 0.45 -0.03 0.08 0.00 -0.47 0.00 0.00 55.73 55.76 1jwi s ARG 90 Cb -0.32 0.06 0.46 0.00 -0.57 0.00 0.00 34.95 34.57 1jwi s ARG 90 CO 0.41 -0.02 1.17 0.00 -1.08 0.00 0.00 175.30 175.79 1jwi n ALA 91 N 2.77 4.88 -2.92 7.88 0.00 -1.26 -5.04 120.51 126.82 1jwi n ALA 91 Ca -0.14 -3.80 -0.23 0.00 0.00 0.00 0.00 53.44 49.27 1jwi n ALA 91 Cb 0.59 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 1jwi n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jwi s LEU 92 N -3.60 4.18 0.32 0.00 1.43 -1.26 -5.07 118.68 114.67 1jwi s LEU 92 Ca 0.49 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 1jwi s LEU 92 Cb 0.40 -2.73 -0.10 0.00 0.03 0.00 0.00 46.19 43.79 1jwi s LEU 92 CO 0.01 -0.01 1.38 -0.55 0.23 0.00 0.00 176.35 177.40 1jwi s SER 93 N -3.65 6.66 -0.16 2.29 0.15 -1.26 -4.89 113.70 112.85 1jwi s SER 93 Ca 0.34 2.75 0.17 0.00 0.70 0.00 0.00 55.95 59.90 1jwi s SER 93 Cb -0.09 -2.65 0.77 0.00 -1.71 0.00 0.00 66.02 62.34 1jwi s SER 93 CO 0.27 -0.64 1.68 -0.90 1.20 0.00 0.00 173.24 174.85 1jwi n ASP 94 N 1.17 5.15 -4.87 5.45 5.68 -1.26 -4.68 116.55 123.19 1jwi n ASP 94 Ca 0.02 -2.62 -0.33 0.00 -0.50 0.00 0.00 54.79 51.35 1jwi n ASP 94 Cb 0.41 -0.62 -0.05 0.00 -1.14 0.00 0.00 41.12 39.71 1jwi n ASP 94 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1jwi s GLU 95 N -2.18 3.78 0.84 0.11 2.56 -1.26 -4.97 118.70 117.59 1jwi s GLU 95 Ca 0.53 0.21 -0.11 0.00 0.00 0.00 0.00 54.97 55.59 1jwi s GLU 95 Cb 0.36 -2.87 0.10 0.00 2.00 0.00 0.00 34.13 33.72 1jwi s GLU 95 CO 0.22 0.47 1.09 -1.25 -0.56 0.00 0.00 175.26 175.23 1jwi s PRO 96 N -2.29 1.68 -0.12 4.30 0.04 -1.26 -4.70 135.00 132.65 1jwi s PRO 96 Ca 0.39 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.41 1jwi s PRO 96 Cb -0.13 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1jwi s PRO 96 CO 0.20 -1.99 -0.10 0.42 0.04 0.00 0.00 177.00 175.57 1jwi s ILE 97 N -2.92 3.32 0.22 0.56 -1.09 0.71 -4.55 121.20 117.45 1jwi s ILE 97 Ca 0.62 -0.58 0.10 0.00 -2.23 0.00 0.00 60.65 58.56 1jwi s ILE 97 Cb -0.18 -2.39 -0.05 0.00 -1.58 0.00 0.00 42.46 38.27 1jwi s ILE 97 CO 0.57 0.54 -0.19 0.00 -1.23 0.00 0.00 174.94 174.63 1jwi s PHE 99 N -2.40 1.92 0.20 0.00 0.40 -1.06 0.18 117.98 117.22 1jwi s PHE 99 Ca 0.23 -0.38 0.11 0.00 -0.60 0.00 0.00 56.93 56.29 1jwi s PHE 99 Cb -0.04 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 1jwi s PHE 99 CO 0.10 0.09 -0.21 0.14 0.70 0.00 0.00 175.22 176.04 1jwi s VAL 100 N -0.79 2.21 -0.07 -0.44 -7.23 -0.84 -2.16 120.40 111.09 1jwi s VAL 100 Ca 0.08 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1jwi s VAL 100 Cb -0.09 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1jwi s VAL 100 CO 0.02 -0.24 -0.11 0.00 -0.31 0.00 0.00 175.10 174.46 1jwi s ALA 101 N -1.98 2.79 -0.18 1.32 0.00 0.28 -1.01 121.76 122.98 1jwi s ALA 101 Ca 0.21 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 1jwi s ALA 101 Cb -0.07 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 1jwi s ALA 101 CO 0.10 0.51 0.16 -1.83 0.00 0.00 0.00 175.76 174.70 1jwi s GLU 102 N -0.58 4.07 0.62 0.00 4.04 -0.72 -2.04 118.70 124.09 1jwi s GLU 102 Ca 0.08 -0.15 0.36 0.00 0.04 0.00 0.00 54.97 55.30 1jwi s GLU 102 Cb -0.12 -3.38 2.04 0.00 0.02 0.00 0.00 34.13 32.69 1jwi s GLU 102 CO 0.02 0.38 2.29 0.77 -1.84 0.00 0.00 175.26 176.87 1jwi h SER 103 N 6.36 0.00 0.01 0.83 0.02 -0.33 -0.93 113.55 119.52 1jwi h SER 103 Ca -0.43 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1jwi h SER 103 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1jwi h SER 103 CO 0.73 0.01 -0.01 -0.26 -1.14 0.00 0.00 176.83 176.16 1jwi h PHE 104 N 0.00 -0.02 -0.06 3.45 0.05 -1.93 -3.39 116.94 115.05 1jwi h PHE 104 Ca -0.00 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1jwi h PHE 104 Cb 0.03 0.01 0.00 0.00 2.00 0.00 0.00 35.95 37.99 1jwi h PHE 104 CO 0.00 0.65 0.00 0.72 -0.18 0.00 0.00 178.31 179.50 1jwi n HIS 105 N -4.77 0.07 -1.51 -0.55 8.25 -1.24 -5.00 115.22 110.48 1jwi n HIS 105 Ca -0.09 -0.29 -0.17 0.00 -0.26 0.00 0.00 57.72 56.91 1jwi n HIS 105 Cb 0.34 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.34 1jwi n HIS 105 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jwi n ASN 106 N -0.06 -5.31 -4.86 0.41 3.02 -0.35 -4.98 115.26 103.13 1jwi n ASN 106 Ca 0.03 0.43 -0.31 0.00 -0.03 0.00 0.00 54.58 54.70 1jwi n ASN 106 Cb 0.20 -4.35 -0.03 0.00 -0.61 0.00 0.00 39.78 34.99 1jwi n ASN 106 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jwi s LYS 107 N -3.47 3.84 -0.17 3.52 -0.14 -1.25 -4.76 119.74 117.31 1jwi s LYS 107 Ca 0.00 0.74 -0.06 0.00 -1.36 0.00 0.00 55.97 55.28 1jwi s LYS 107 Cb 0.00 -2.22 -0.04 0.00 -1.68 0.00 0.00 37.83 33.89 1jwi s LYS 107 CO 0.00 -0.23 0.05 -1.58 -0.76 0.00 0.00 175.35 172.84 1jwi s TRP 108 N -2.61 3.24 -0.04 3.18 0.51 -1.26 -1.76 118.94 120.21 1jwi s TRP 108 Ca 0.55 0.08 0.07 0.00 -2.12 0.00 0.00 56.10 54.68 1jwi s TRP 108 Cb -0.10 -2.03 -0.01 0.00 -0.81 0.00 0.00 33.47 30.52 1jwi s TRP 108 CO 0.34 0.21 -0.24 0.42 -0.51 0.00 0.00 176.95 177.17 1jwi s ILE 109 N 0.14 1.94 0.36 2.03 1.01 -0.18 -4.95 121.20 121.54 1jwi s ILE 109 Ca 0.04 -1.02 -0.28 0.00 0.00 0.00 0.00 60.65 59.38 1jwi s ILE 109 Cb -0.12 -1.63 -0.11 0.00 0.01 0.00 0.00 42.46 40.61 1jwi s ILE 109 CO 0.01 0.54 1.41 -1.10 0.00 0.00 0.00 174.94 175.80 1jwi s GLN 110 N -0.34 4.22 -0.02 2.79 -0.21 -1.26 -1.98 119.66 122.86 1jwi s GLN 110 Ca 0.02 2.42 -0.12 0.00 0.02 0.00 0.00 55.36 57.70 1jwi s GLN 110 Cb -0.12 -3.01 0.02 0.00 1.00 0.00 0.00 33.01 30.90 1jwi s GLN 110 CO 0.01 -0.38 0.26 -0.46 -2.12 0.00 0.00 175.29 172.60 1jwi s TRP 111 N -1.11 -0.14 0.10 0.91 -0.11 0.13 -4.90 118.94 113.82 1jwi s TRP 111 Ca 0.51 0.22 -0.31 0.00 1.22 0.00 0.00 56.10 57.74 1jwi s TRP 111 Cb -0.44 0.06 -0.09 0.00 -1.50 0.00 0.00 33.47 31.51 1jwi s TRP 111 CO 0.58 -0.34 1.59 0.99 -4.62 0.00 0.00 176.95 175.16 1jwi s THR 112 N -1.18 2.95 0.47 5.86 2.01 -1.26 -2.70 115.64 121.79 1jwi s THR 112 Ca -0.12 0.54 0.15 0.00 0.31 0.00 0.00 61.69 62.56 1jwi s THR 112 Cb -0.05 -3.34 0.21 0.00 0.01 0.00 0.00 72.50 69.32 1jwi s THR 112 CO 0.03 0.02 2.03 0.00 -0.69 0.00 0.00 174.62 176.01 1jwi n ASN 114 N -4.36 0.52 -4.91 0.00 2.04 -1.26 -2.49 115.26 104.80 1jwi n ASN 114 Ca -0.03 -1.69 -0.27 0.00 -0.44 0.00 0.00 54.58 52.16 1jwi n ASN 114 Cb 0.21 -0.05 0.05 0.00 -2.53 0.00 0.00 39.78 37.46 1jwi n ASN 114 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1jwi s ARG 115 N -1.91 2.65 -0.18 -3.83 1.81 -1.12 -4.84 118.95 111.52 1jwi s ARG 115 Ca 0.21 0.00 -0.07 0.00 -1.72 0.00 0.00 55.73 54.15 1jwi s ARG 115 Cb 0.10 -2.18 -0.04 0.00 -0.45 0.00 0.00 34.95 32.38 1jwi s ARG 115 CO 0.16 -0.96 0.05 0.15 -0.68 0.00 0.00 175.30 174.02 1jwi s LYS 116 N -5.16 3.94 0.08 3.54 3.01 -1.26 -3.67 119.74 120.21 1jwi s LYS 116 Ca 0.57 -0.37 -0.07 0.00 -1.01 0.00 0.00 55.97 55.09 1jwi s LYS 116 Cb -0.11 -3.18 -0.01 0.00 -1.01 0.00 0.00 37.83 33.53 1jwi s LYS 116 CO 0.46 0.27 0.15 0.15 0.51 0.00 0.00 175.35 176.89 1jwi s LYS 117 N 0.38 0.79 0.96 1.68 3.01 -0.59 -4.77 119.74 121.20 1jwi s LYS 117 Ca 0.02 -0.97 -0.12 0.00 -1.01 0.00 0.00 55.97 53.88 1jwi s LYS 117 Cb -0.13 0.31 0.17 0.00 -1.01 0.00 0.00 37.83 37.17 1jwi s LYS 117 CO 0.00 -0.23 1.11 -1.12 0.51 0.00 0.00 175.35 175.63 1jwi s SER 118 N -2.79 3.00 0.28 2.83 0.01 -1.26 -2.03 113.70 113.74 1jwi s SER 118 Ca 0.04 1.08 -0.14 0.00 1.31 0.00 0.00 55.95 58.24 1jwi s SER 118 Cb 0.05 -1.70 0.01 0.00 0.21 0.00 0.00 66.02 64.59 1jwi s SER 118 CO -0.10 -2.88 0.57 0.72 0.41 0.00 0.00 173.24 171.95 1jwi s PHE 119 N -3.11 0.29 -0.08 2.43 -0.71 -0.89 -1.68 117.98 114.23 1jwi s PHE 119 Ca 0.65 -0.70 0.01 0.00 -1.04 0.00 0.00 56.93 55.85 1jwi s PHE 119 Cb -0.17 0.35 0.02 0.00 -1.21 0.00 0.00 43.02 42.01 1jwi s PHE 119 CO 0.56 -1.14 -0.11 0.08 -1.34 0.00 0.00 175.22 173.27 1jwi s VAL 120 N -3.67 1.13 0.08 -2.49 1.01 -1.26 0.09 120.40 115.30 1jwi s VAL 120 Ca 0.20 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1jwi s VAL 120 Cb -0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1jwi s VAL 120 CO 0.10 0.36 0.24 0.00 0.00 0.00 0.00 175.10 175.81 1jwi s LYS 122 N -2.57 0.24 0.01 0.00 2.20 -0.18 -1.86 119.74 117.57 1jwi s LYS 122 Ca 0.36 -0.10 -0.14 0.00 -0.36 0.00 0.00 55.97 55.73 1jwi s LYS 122 Cb -0.13 0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.31 1jwi s LYS 122 CO 0.27 -0.04 0.30 1.52 -0.36 0.00 0.00 175.35 177.04 1jwi s TYR 123 N -0.52 -0.13 -0.02 4.03 -0.85 -0.72 -2.10 117.35 117.04 1jwi s TYR 123 Ca -0.06 0.11 -0.22 0.00 -0.52 0.00 0.00 57.07 56.38 1jwi s TYR 123 Cb -0.04 0.09 -0.05 0.00 0.38 0.00 0.00 41.96 42.34 1jwi s TYR 123 CO 0.00 -0.44 0.66 0.50 -1.52 0.00 0.00 175.55 174.76 1jwi s ARG 124 N -1.87 4.40 0.00 -3.49 3.52 -1.26 -0.38 118.95 119.86 1jwi s ARG 124 Ca -0.10 0.84 0.11 0.00 -0.13 0.00 0.00 55.73 56.45 1jwi s ARG 124 Cb -0.03 -3.38 0.64 0.00 -1.56 0.00 0.00 34.95 30.61 1jwi s ARG 124 CO 0.01 0.25 1.08 1.33 -0.81 0.00 0.00 175.30 177.15