#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ust n GLU 40 N 0.00 0.29 -3.65 -1.58 2.13 -1.26 -5.07 120.64 111.49 1ust n GLU 40 Ca 0.00 0.11 -0.14 0.00 0.66 0.00 0.00 57.16 57.78 1ust n GLU 40 Cb 0.00 -1.05 -0.08 0.00 0.27 0.00 0.00 31.44 30.58 1ust n GLU 40 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1ust s GLU 41 N -2.24 0.76 -0.05 5.31 2.56 -1.26 -5.16 118.70 118.62 1ust s GLU 41 Ca -0.18 0.59 -0.09 0.00 0.00 0.00 0.00 54.97 55.30 1ust s GLU 41 Cb 0.06 0.36 -0.05 0.00 2.00 0.00 0.00 34.13 36.51 1ust s GLU 41 CO 0.25 -0.14 0.25 0.00 -0.56 0.00 0.00 175.26 175.05 1ust s ALA 42 N -0.17 3.83 -1.00 6.30 0.00 -1.26 -4.41 121.76 125.04 1ust s ALA 42 Ca -0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 1ust s ALA 42 Cb -0.03 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1ust s ALA 42 CO 0.03 0.60 0.85 0.43 0.00 0.00 0.00 175.76 177.67 1ust n SER 43 N 1.64 -3.34 -1.80 0.00 7.64 -1.26 -4.89 113.62 111.61 1ust n SER 43 Ca -0.16 -0.47 -0.11 0.00 1.01 0.00 0.00 58.87 59.15 1ust n SER 43 Cb 0.54 -4.16 -0.00 0.00 -1.01 0.00 0.00 64.21 59.57 1ust n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ust n SER 44 N -2.47 5.93 -4.64 6.43 7.64 -1.26 -4.78 113.62 120.47 1ust n SER 44 Ca -0.14 -2.77 -0.41 0.00 1.01 0.00 0.00 58.87 56.56 1ust n SER 44 Cb 0.60 -1.13 -0.06 0.00 -1.01 0.00 0.00 64.21 62.61 1ust n SER 44 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ust s LYS 45 N -0.85 4.15 -0.03 1.43 -0.14 -1.26 -5.01 119.74 118.04 1ust s LYS 45 Ca 0.25 0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 55.24 1ust s LYS 45 Cb 0.17 -3.63 -0.06 0.00 -1.68 0.00 0.00 37.83 32.63 1ust s LYS 45 CO -0.02 -0.41 1.59 -1.12 -0.76 0.00 0.00 175.35 174.64 1ust s SER 46 N 1.38 6.70 0.57 2.83 0.01 -1.26 -4.86 113.70 119.06 1ust s SER 46 Ca 0.29 2.24 0.32 0.00 1.31 0.00 0.00 55.95 60.11 1ust s SER 46 Cb -0.16 -2.54 1.72 0.00 0.21 0.00 0.00 66.02 65.25 1ust s SER 46 CO 0.09 -0.87 2.17 1.88 0.41 0.00 0.00 173.24 176.91 1ust h TYR 47 N 8.93 0.00 -0.82 2.43 -1.99 -1.97 -1.74 116.97 121.82 1ust h TYR 47 Ca -0.39 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.36 1ust h TYR 47 Cb 1.18 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.87 1ust h TYR 47 CO 0.84 0.06 0.54 -0.09 -0.00 0.00 0.00 178.16 179.51 1ust h ARG 48 N 0.00 1.04 0.02 4.88 2.43 -1.96 0.67 114.38 121.46 1ust h ARG 48 Ca -0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1ust h ARG 48 Cb 0.21 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1ust h ARG 48 CO 0.01 0.69 -0.01 0.93 -1.51 0.00 0.00 179.97 180.08 1ust h GLU 49 N 1.07 -0.03 -0.12 0.20 5.08 -1.71 -1.96 114.58 117.10 1ust h GLU 49 Ca 0.31 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1ust h GLU 49 Cb -0.08 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1ust h GLU 49 CO -0.07 0.55 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.23 1ust h LEU 50 N -0.64 -0.57 0.24 1.33 4.07 -1.21 0.14 115.31 118.67 1ust h LEU 50 Ca -0.00 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1ust h LEU 50 Cb 0.60 0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.60 1ust h LEU 50 CO 0.01 -0.23 -0.12 0.40 -1.08 0.00 0.00 178.44 177.41 1ust h ILE 51 N -0.24 0.81 -0.48 1.22 2.04 0.25 -2.19 117.51 118.93 1ust h ILE 51 Ca 0.10 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1ust h ILE 51 Cb 0.38 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1ust h ILE 51 CO -0.26 0.09 0.25 0.40 0.00 0.00 0.00 178.15 178.62 1ust h ILE 52 N -0.53 1.18 -0.69 -0.67 2.04 -1.23 1.07 117.51 118.67 1ust h ILE 52 Ca -0.03 -0.47 0.09 0.00 1.00 0.00 0.00 64.86 65.45 1ust h ILE 52 Cb 0.39 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 1ust h ILE 52 CO 0.06 0.19 0.33 -0.33 0.00 0.00 0.00 178.15 178.39 1ust h GLU 53 N 0.63 0.55 0.35 2.37 4.39 -0.74 0.15 114.58 122.28 1ust h GLU 53 Ca 0.17 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 1ust h GLU 53 Cb 0.08 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1ust h GLU 53 CO -0.02 0.36 -0.17 0.78 -1.16 0.00 0.00 179.01 178.80 1ust h GLY 54 N 0.56 -0.50 -0.93 -3.84 0.00 -0.91 -3.09 103.07 94.37 1ust h GLY 54 Ca 0.34 0.18 0.30 0.00 0.00 0.00 0.00 47.33 48.16 1ust h GLY 54 CO -0.27 -0.18 0.17 -2.00 0.00 0.00 0.00 176.54 174.25 1ust h LEU 55 N -0.79 -0.25 -0.82 3.11 5.85 0.15 1.17 115.31 123.73 1ust h LEU 55 Ca -0.05 0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 1ust h LEU 55 Cb 0.36 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1ust h LEU 55 CO 0.08 -0.36 -0.42 0.00 -0.34 0.00 0.00 178.44 177.41 1ust h THR 56 N 0.03 0.94 0.15 1.05 1.03 -0.83 -2.65 112.91 112.62 1ust h THR 56 Ca 0.65 -1.66 -0.36 0.00 -0.01 0.00 0.00 66.41 65.03 1ust h THR 56 Cb 1.46 2.01 -0.01 0.00 -1.07 0.00 0.00 68.15 70.54 1ust h THR 56 CO -0.87 0.41 -1.87 0.00 -0.01 0.00 0.00 175.52 173.18 1ust h ALA 57 N 1.58 0.32 -0.19 0.00 0.00 0.13 -3.40 119.26 117.69 1ust h ALA 57 Ca -0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 54.91 53.61 1ust h ALA 57 Cb 0.97 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1ust h ALA 57 CO 0.05 1.19 -0.01 1.47 0.00 0.00 0.00 179.25 181.95 1ust n LEU 58 N -3.52 3.47 0.15 0.00 -0.00 0.11 -4.65 117.00 112.57 1ust n LEU 58 Ca -0.28 -3.12 0.05 0.00 -0.00 0.00 0.00 56.01 52.67 1ust n LEU 58 Cb 1.06 -0.52 0.52 0.00 -0.00 0.00 0.00 43.42 44.48 1ust n LEU 58 CO 0.47 0.75 1.05 0.07 -0.00 0.00 0.00 177.39 179.72 1ust h LYS 59 N 1.23 0.20 0.00 1.47 2.10 -1.67 -3.41 116.57 116.48 1ust h LYS 59 Ca 0.02 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ust h LYS 59 Cb 1.34 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1ust h LYS 59 CO 0.17 0.19 0.00 0.39 -2.00 0.00 0.00 179.45 178.21 1ust n GLU 60 N -4.45 0.00 0.02 0.07 1.02 -1.26 -1.56 120.64 114.48 1ust n GLU 60 Ca -0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1ust n GLU 60 Cb 0.13 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 31.80 1ust n GLU 60 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1ust h ARG 61 N 0.00 0.47 0.00 3.49 -0.00 -2.02 -3.45 114.38 112.87 1ust h ARG 61 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 59.98 59.84 1ust h ARG 61 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 29.92 1ust h ARG 61 CO 0.00 0.61 0.00 0.36 -0.00 0.00 0.00 179.97 180.94 1ust n LYS 62 N -4.19 0.00 -3.99 0.08 2.85 -0.60 -5.15 118.16 107.16 1ust n LYS 62 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 1ust n LYS 62 Cb 0.33 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.62 1ust n LYS 62 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1ust s GLY 63 N 0.00 0.29 0.00 2.58 0.00 -0.87 -4.63 107.32 104.70 1ust s GLY 63 Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 44.72 43.95 1ust s GLY 63 CO 0.00 -0.96 -0.21 -1.35 0.00 0.00 0.00 173.10 170.58 1ust s SER 64 N -2.45 2.48 0.57 1.64 1.04 0.12 -4.68 113.70 112.42 1ust s SER 64 Ca -0.00 -0.43 -0.20 0.00 0.48 0.00 0.00 55.95 55.80 1ust s SER 64 Cb 0.02 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 1ust s SER 64 CO -0.07 0.23 1.26 -0.44 0.98 0.00 0.00 173.24 175.20 1ust s SER 65 N -0.72 5.28 0.19 7.02 0.01 -1.26 -0.08 113.70 124.14 1ust s SER 65 Ca 0.08 2.53 -0.16 0.00 1.31 0.00 0.00 55.95 59.71 1ust s SER 65 Cb -0.08 -2.61 0.16 0.00 0.21 0.00 0.00 66.02 63.70 1ust s SER 65 CO 0.00 -1.54 1.63 0.03 0.41 0.00 0.00 173.24 173.77 1ust h ARG 66 N 1.20 -0.05 -0.94 12.44 -0.00 -1.93 -1.29 114.38 123.80 1ust h ARG 66 Ca -0.50 0.00 0.24 0.00 -0.50 0.00 0.00 59.98 59.22 1ust h ARG 66 Cb 1.30 0.01 -0.06 0.00 0.00 0.00 0.00 29.97 31.22 1ust h ARG 66 CO 0.56 -0.03 0.64 -1.00 0.00 0.00 0.00 179.97 180.14 1ust h PRO 67 N -0.05 0.23 -0.12 0.04 0.13 -1.96 0.02 132.00 130.27 1ust h PRO 67 Ca 0.25 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.35 1ust h PRO 67 Cb 0.43 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.51 1ust h PRO 67 CO -0.56 0.15 0.02 0.00 -0.23 0.00 0.00 178.00 177.38 1ust h ALA 68 N 1.58 0.16 -0.57 -0.56 0.00 -1.59 -1.33 119.26 116.95 1ust h ALA 68 Ca 0.48 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1ust h ALA 68 Cb 1.49 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1ust h ALA 68 CO -0.13 -0.19 0.02 -0.07 0.00 0.00 0.00 179.25 178.89 1ust h LEU 69 N -0.02 0.93 -1.01 0.00 4.07 -1.07 -0.88 115.31 117.32 1ust h LEU 69 Ca 0.04 -0.24 0.06 0.00 0.08 0.00 0.00 57.88 57.81 1ust h LEU 69 Cb 0.28 -0.25 -0.06 0.00 1.08 0.00 0.00 40.66 41.71 1ust h LEU 69 CO 0.00 0.97 0.65 0.11 -1.08 0.00 0.00 178.44 179.10 1ust h LYS 70 N 0.89 1.18 0.11 1.13 1.57 -0.91 0.23 116.57 120.76 1ust h LYS 70 Ca 0.17 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1ust h LYS 70 Cb 0.49 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1ust h LYS 70 CO 0.02 0.78 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.41 1ust h LYS 71 N 1.21 -0.14 -0.73 3.15 3.64 -0.73 -1.22 116.57 121.75 1ust h LYS 71 Ca 0.42 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.93 1ust h LYS 71 Cb 0.11 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.88 1ust h LYS 71 CO -0.16 0.10 0.32 0.35 -2.27 0.00 0.00 179.45 177.80 1ust h PHE 72 N -0.38 0.56 -0.22 1.91 3.57 -0.41 -1.14 116.94 120.84 1ust h PHE 72 Ca -0.02 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1ust h PHE 72 Cb 0.31 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1ust h PHE 72 CO 0.00 0.13 -0.06 0.82 -2.23 0.00 0.00 178.31 176.97 1ust h ILE 73 N 0.51 1.29 -0.70 1.41 2.04 -0.39 -2.05 117.51 119.61 1ust h ILE 73 Ca 0.39 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 65.21 1ust h ILE 73 Cb 0.52 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 1ust h ILE 73 CO -0.35 0.33 0.44 0.11 0.00 0.00 0.00 178.15 178.68 1ust h LYS 74 N 0.15 0.83 -0.52 2.37 1.57 -0.64 0.90 116.57 121.23 1ust h LYS 74 Ca 0.05 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1ust h LYS 74 Cb 0.52 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1ust h LYS 74 CO 0.02 0.55 -0.14 0.93 -0.57 0.00 0.00 179.45 180.25 1ust h GLU 75 N 0.86 1.01 0.05 3.15 4.39 -1.18 -3.11 114.58 119.74 1ust h GLU 75 Ca 0.28 -0.39 -0.36 0.00 0.34 0.00 0.00 59.36 59.24 1ust h GLU 75 Cb 0.01 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 1ust h GLU 75 CO -0.11 1.07 -2.13 0.09 -1.16 0.00 0.00 179.01 176.77 1ust n ASN 76 N -4.13 1.49 -3.47 1.42 3.02 -0.78 -4.67 115.26 108.14 1ust n ASN 76 Ca 0.01 0.12 -0.27 0.00 -0.03 0.00 0.00 54.58 54.42 1ust n ASN 76 Cb 0.42 -0.28 -0.09 0.00 -0.61 0.00 0.00 39.78 39.22 1ust n ASN 76 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ust n TYR 77 N -3.22 2.39 0.25 3.10 4.02 0.31 -4.93 117.16 119.08 1ust n TYR 77 Ca -0.33 -4.00 0.18 0.00 -0.01 0.00 0.00 57.90 53.74 1ust n TYR 77 Cb 1.05 -0.46 0.88 0.00 -0.02 0.00 0.00 39.34 40.79 1ust n TYR 77 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1ust h PRO 78 N 4.52 0.00 0.07 -0.72 0.13 -1.66 0.14 132.00 134.47 1ust h PRO 78 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1ust h PRO 78 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1ust h PRO 78 CO 0.70 0.00 -0.10 0.82 -0.23 0.00 0.00 178.00 179.19 1ust h ILE 79 N 0.00 0.00 -0.17 -3.56 5.03 -1.90 0.15 117.51 117.06 1ust h ILE 79 Ca 0.06 0.00 -0.15 0.00 -0.12 0.00 0.00 64.86 64.65 1ust h ILE 79 Cb 0.53 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.31 1ust h ILE 79 CO -0.00 0.00 -0.52 0.58 -0.68 0.00 0.00 178.15 177.52 1ust h VAL 80 N -0.18 1.33 -0.86 1.67 2.07 -1.81 -3.13 116.25 115.34 1ust h VAL 80 Ca -0.01 -1.77 0.13 0.00 0.82 0.00 0.00 66.70 65.87 1ust h VAL 80 Cb 0.16 1.76 -0.09 0.00 -1.52 0.00 0.00 31.29 31.61 1ust h VAL 80 CO -0.03 0.55 0.47 1.23 0.02 0.00 0.00 177.57 179.81 1ust h GLY 81 N 1.13 1.40 -3.81 2.17 0.00 -0.55 -0.59 103.07 102.82 1ust h GLY 81 Ca 0.01 -0.29 -0.60 0.00 0.00 0.00 0.00 47.33 46.45 1ust h GLY 81 CO 0.10 0.03 0.27 1.44 0.00 0.00 0.00 176.54 178.37 1ust n SER 82 N -4.81 6.33 -0.36 0.19 7.64 0.03 -4.65 113.62 117.99 1ust n SER 82 Ca 0.17 -3.77 0.01 0.00 1.01 0.00 0.00 58.87 56.29 1ust n SER 82 Cb 0.39 -0.75 0.05 0.00 -1.01 0.00 0.00 64.21 62.89 1ust n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ust n ALA 83 N -0.88 2.56 0.00 -0.43 0.00 -0.23 -4.91 120.51 116.62 1ust n ALA 83 Ca 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1ust n ALA 83 Cb 0.83 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1ust n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ust n SER 84 N -0.11 0.00 -1.81 0.00 2.88 -1.26 -4.06 113.62 109.26 1ust n SER 84 Ca 0.03 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.53 1ust n SER 84 Cb 0.19 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.92 1ust n SER 84 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ust n ASN 85 N 2.10 4.47 -0.20 -3.46 0.23 -1.26 -4.49 115.26 112.64 1ust n ASN 85 Ca 0.00 -3.00 -0.02 0.00 -0.53 0.00 0.00 54.58 51.03 1ust n ASN 85 Cb 0.00 -0.71 0.09 0.00 -2.08 0.00 0.00 39.78 37.08 1ust n ASN 85 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1ust h PHE 86 N 2.39 0.56 -0.58 -2.53 3.57 -1.80 -0.24 116.94 118.31 1ust h PHE 86 Ca 0.21 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 1ust h PHE 86 Cb 2.07 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.63 1ust h PHE 86 CO 1.09 0.25 -0.00 0.22 -2.23 0.00 0.00 178.31 177.64 1ust h ASP 87 N 0.57 1.00 -0.10 0.41 1.82 -1.91 0.31 116.42 118.53 1ust h ASP 87 Ca 0.28 -0.31 -0.01 0.00 -0.39 0.00 0.00 57.03 56.60 1ust h ASP 87 Cb 0.21 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 39.94 1ust h ASP 87 CO -0.20 1.07 0.04 0.25 -1.61 0.00 0.00 179.24 178.79 1ust h LEU 88 N 0.91 0.14 -0.99 2.28 7.12 -1.81 -1.76 115.31 121.20 1ust h LEU 88 Ca 0.16 -0.18 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 1ust h LEU 88 Cb 0.56 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.61 1ust h LEU 88 CO 0.03 0.29 0.40 1.88 -0.13 0.00 0.00 178.44 180.90 1ust h TYR 89 N -0.01 1.10 -0.13 1.25 -1.99 -0.84 -2.10 116.97 114.25 1ust h TYR 89 Ca 0.03 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1ust h TYR 89 Cb 0.19 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.56 1ust h TYR 89 CO -0.01 0.79 0.07 0.35 -0.00 0.00 0.00 178.16 179.35 1ust h PHE 90 N 1.11 0.18 -0.76 4.88 3.57 -0.14 -1.09 116.94 124.70 1ust h PHE 90 Ca 0.27 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1ust h PHE 90 Cb 0.08 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1ust h PHE 90 CO 0.01 0.22 0.40 -0.91 -2.23 0.00 0.00 178.31 175.80 1ust h ASN 91 N 0.10 0.95 -0.77 0.41 2.35 -1.10 -0.32 115.58 117.19 1ust h ASN 91 Ca 0.05 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1ust h ASN 91 Cb 0.10 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 1ust h ASN 91 CO -0.01 0.78 0.48 0.78 -1.65 0.00 0.00 177.43 177.82 1ust h ASN 92 N 1.05 0.92 -0.57 5.81 2.35 -1.23 -0.60 115.58 123.31 1ust h ASN 92 Ca 0.26 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1ust h ASN 92 Cb 0.05 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1ust h ASN 92 CO -0.04 0.69 0.26 0.00 -1.65 0.00 0.00 177.43 176.69 1ust h ALA 93 N 1.26 0.73 0.31 -0.83 0.00 -0.52 -0.10 119.26 120.10 1ust h ALA 93 Ca 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ust h ALA 93 Cb -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1ust h ALA 93 CO -0.06 0.31 -0.15 0.82 0.00 0.00 0.00 179.25 180.18 1ust h ILE 94 N 0.77 0.71 -0.39 0.00 1.08 -0.59 0.11 117.51 119.20 1ust h ILE 94 Ca 0.19 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 64.58 1ust h ILE 94 Cb 0.14 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 1ust h ILE 94 CO -0.02 0.01 0.14 0.11 -0.69 0.00 0.00 178.15 177.70 1ust h LYS 95 N -0.44 0.59 -0.44 2.37 1.57 -1.01 -1.01 116.57 118.21 1ust h LYS 95 Ca -0.04 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 1ust h LYS 95 Cb 0.33 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1ust h LYS 95 CO 0.07 0.58 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.11 1ust h LYS 96 N 0.48 0.88 -0.39 3.15 3.11 -1.00 -2.94 116.57 119.85 1ust h LYS 96 Ca 0.13 -0.35 -0.07 0.00 -2.81 0.00 0.00 60.65 57.55 1ust h LYS 96 Cb 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 1ust h LYS 96 CO -0.01 0.99 -0.02 0.78 -2.81 0.00 0.00 179.45 178.39 1ust h GLY 97 N 0.94 0.76 1.28 5.01 0.00 -0.54 -1.81 103.07 108.71 1ust h GLY 97 Ca 0.11 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1ust h GLY 97 CO 0.06 0.52 -0.08 -0.39 0.00 0.00 0.00 176.54 176.65 1ust h VAL 98 N 0.52 1.26 -0.19 4.60 -1.51 -1.16 0.22 116.25 119.99 1ust h VAL 98 Ca 0.11 -1.16 -0.15 0.00 -1.23 0.00 0.00 66.70 64.28 1ust h VAL 98 Cb 0.50 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1ust h VAL 98 CO 0.02 0.40 -0.45 1.05 -1.23 0.00 0.00 177.57 177.37 1ust h GLU 99 N 0.78 0.64 -0.83 5.19 4.11 -1.52 -3.22 114.58 119.74 1ust h GLU 99 Ca 0.13 -0.43 -0.03 0.00 0.07 0.00 0.00 59.36 59.10 1ust h GLU 99 Cb 0.58 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1ust h GLU 99 CO 0.04 1.05 0.40 0.00 0.07 0.00 0.00 179.01 180.57 1ust h ALA 100 N 0.59 1.15 0.00 1.06 0.00 -1.22 -3.47 119.26 117.37 1ust h ALA 100 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ust h ALA 100 Cb 1.06 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ust h ALA 100 CO 0.10 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1ust n GLY 101 N -1.04 1.41 0.05 0.00 0.00 -0.56 -5.04 105.19 100.01 1ust n GLY 101 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 1ust n GLY 101 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ust n ASP 102 N 0.00 3.17 -4.29 1.61 9.92 0.68 -4.90 116.55 122.73 1ust n ASP 102 Ca 0.00 -0.03 -0.16 0.00 -0.53 0.00 0.00 54.79 54.07 1ust n ASP 102 Cb 0.00 0.17 -0.10 0.00 -0.64 0.00 0.00 41.12 40.55 1ust n ASP 102 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1ust s PHE 103 N -2.20 1.44 0.04 1.24 0.08 -1.01 -2.56 117.98 115.01 1ust s PHE 103 Ca -0.10 -0.79 0.02 0.00 0.12 0.00 0.00 56.93 56.19 1ust s PHE 103 Cb 0.03 -0.77 -0.02 0.00 -0.57 0.00 0.00 43.02 41.69 1ust s PHE 103 CO 0.27 0.08 -0.08 -1.21 -0.10 0.00 0.00 175.22 174.17 1ust s GLU 104 N -3.77 0.55 -0.21 0.44 0.41 0.11 -3.79 118.70 112.44 1ust s GLU 104 Ca 0.22 -0.72 0.01 0.00 -0.41 0.00 0.00 54.97 54.07 1ust s GLU 104 Cb 0.03 -0.36 0.05 0.00 -1.78 0.00 0.00 34.13 32.07 1ust s GLU 104 CO 0.04 0.07 -0.09 -0.65 -0.49 0.00 0.00 175.26 174.15 1ust s GLN 105 N -1.45 1.91 0.14 1.61 -0.21 -1.26 0.11 119.66 120.50 1ust s GLN 105 Ca -0.08 -0.88 -0.00 0.00 0.02 0.00 0.00 55.36 54.41 1ust s GLN 105 Cb -0.09 -2.46 -0.08 0.00 1.00 0.00 0.00 33.01 31.38 1ust s GLN 105 CO 0.01 -0.47 1.32 -1.00 -2.12 0.00 0.00 175.29 173.02 1ust h PRO 106 N 7.97 0.26 0.08 2.91 0.13 -1.93 -3.37 132.00 138.05 1ust h PRO 106 Ca -0.25 -0.31 -0.16 0.00 -0.87 0.00 0.00 66.00 64.41 1ust h PRO 106 Cb 1.09 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ust h PRO 106 CO 0.46 1.04 -0.80 0.87 -0.23 0.00 0.00 178.00 179.34 1ust h LYS 107 N 0.13 0.16 0.00 0.86 1.57 -1.92 -3.49 116.57 113.88 1ust h LYS 107 Ca -0.07 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1ust h LYS 107 Cb 1.61 0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.02 1ust h LYS 107 CO 0.15 1.13 0.00 0.41 -0.57 0.00 0.00 179.45 180.57 1ust n GLY 108 N 1.64 -1.47 0.28 3.86 0.00 -1.26 -4.83 105.19 103.40 1ust n GLY 108 Ca -0.18 -1.02 0.10 0.00 0.00 0.00 0.00 46.02 44.92 1ust n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ust h PRO 109 N 0.00 0.00 -0.49 1.61 0.13 -1.94 -2.74 132.00 128.56 1ust h PRO 109 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 1ust h PRO 109 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1ust h PRO 109 CO 0.00 0.00 -1.05 0.00 -0.23 0.00 0.00 178.00 176.72 1ust n ALA 110 N -2.52 3.13 -0.10 -0.56 0.00 -1.26 -4.89 120.51 114.32 1ust n ALA 110 Ca -0.02 -2.98 -0.15 0.00 0.00 0.00 0.00 53.44 50.29 1ust n ALA 110 Cb 0.13 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 1ust n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ust n GLY 111 N -0.61 -0.48 3.63 0.00 0.00 -1.03 -4.96 105.19 101.74 1ust n GLY 111 Ca 0.15 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 1ust n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ust s ALA 112 N -2.72 -2.08 0.08 4.61 0.00 -1.26 -4.48 121.76 115.90 1ust s ALA 112 Ca -0.30 1.76 -0.00 0.00 0.00 0.00 0.00 51.96 53.42 1ust s ALA 112 Cb 0.07 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1ust s ALA 112 CO 0.42 -0.20 0.24 0.08 0.00 0.00 0.00 175.76 176.30 1ust s VAL 113 N -0.24 5.36 -0.04 0.00 1.01 0.89 -3.58 120.40 123.80 1ust s VAL 113 Ca 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1ust s VAL 113 Cb -0.04 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1ust s VAL 113 CO -0.09 0.10 0.11 -0.75 0.00 0.00 0.00 175.10 174.48 1ust s LYS 114 N -2.61 0.18 0.15 2.72 2.20 0.29 0.14 119.74 122.82 1ust s LYS 114 Ca 0.36 0.07 -0.34 0.00 -0.36 0.00 0.00 55.97 55.69 1ust s LYS 114 Cb -0.13 0.08 -0.15 0.00 -1.51 0.00 0.00 37.83 36.13 1ust s LYS 114 CO 0.28 -0.03 1.46 1.28 -0.36 0.00 0.00 175.35 177.98 1ust n LEU 115 N 2.78 2.59 -4.65 5.43 7.99 -1.26 0.05 117.00 129.94 1ust n LEU 115 Ca -0.14 1.11 -0.43 0.00 -0.01 0.00 0.00 56.01 56.54 1ust n LEU 115 Cb 0.59 -1.35 -0.03 0.00 -0.11 0.00 0.00 43.42 42.52 1ust n LEU 115 CO 0.22 -0.59 1.33 0.00 -1.51 0.00 0.00 177.39 176.83 1ust s ALA 116 N 0.57 3.46 0.00 -1.18 0.00 -1.06 -4.62 121.76 118.93 1ust s ALA 116 Ca 0.78 0.64 0.03 0.00 0.00 0.00 0.00 51.96 53.41 1ust s ALA 116 Cb -0.76 -3.78 0.05 0.00 0.00 0.00 0.00 23.12 18.63 1ust s ALA 116 CO 0.43 -1.63 0.84 1.17 0.00 0.00 0.00 175.76 176.57 1ust n LYS 117 N 7.30 0.00 -3.71 0.00 4.81 -1.26 -4.90 118.16 120.41 1ust n LYS 117 Ca 0.17 -0.75 -0.12 0.00 -0.87 0.00 0.00 58.31 56.75 1ust n LYS 117 Cb 0.44 -0.15 -0.10 0.00 0.02 0.00 0.00 35.03 35.24 1ust n LYS 117 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1ust s LYS 118 N 0.00 0.45 -0.07 1.64 -0.14 -1.26 -5.07 119.74 115.29 1ust s LYS 118 Ca 0.04 0.70 -0.19 0.00 -1.36 0.00 0.00 55.97 55.16 1ust s LYS 118 Cb 0.05 0.11 -0.15 0.00 -1.68 0.00 0.00 37.83 36.16 1ust s LYS 118 CO -0.02 -0.11 0.72 0.87 -0.76 0.00 0.00 175.35 176.05 1ust h LYS 119 N 6.29 -0.14 -6.61 1.68 6.56 -2.02 -3.45 116.57 118.88 1ust h LYS 119 Ca -0.32 0.01 -0.51 0.00 -1.06 0.00 0.00 60.65 58.77 1ust h LYS 119 Cb 1.18 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.85 1ust h LYS 119 CO 0.26 0.32 0.07 -1.54 -2.06 0.00 0.00 179.45 176.50 1ust s SER 120 N -5.61 6.88 0.54 0.86 1.04 -1.26 -5.03 113.70 111.11 1ust s SER 120 Ca -0.12 1.29 -0.22 0.00 0.48 0.00 0.00 55.95 57.38 1ust s SER 120 Cb -0.00 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.69 1ust s SER 120 CO 0.44 -0.08 1.37 -2.84 0.98 0.00 0.00 173.24 173.11 1ust s PRO 121 N -2.50 3.18 -0.36 4.02 0.02 -1.26 -4.97 135.00 133.12 1ust s PRO 121 Ca 0.48 2.27 0.14 0.00 0.02 0.00 0.00 61.00 63.91 1ust s PRO 121 Cb -0.13 -2.29 0.40 0.00 0.02 0.00 0.00 34.50 32.50 1ust s PRO 121 CO 0.19 -1.17 0.86 -1.91 -0.33 0.00 0.00 177.00 174.64 1ust n GLU 122 N -0.96 1.31 -3.45 5.54 4.07 -1.26 -5.09 120.64 120.80 1ust n GLU 122 Ca 0.10 -3.46 -0.38 0.00 -0.06 0.00 0.00 57.16 53.36 1ust n GLU 122 Cb 0.45 -1.55 -0.06 0.00 -0.06 0.00 0.00 31.44 30.21 1ust n GLU 122 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1ust s VAL 123 N -3.03 5.17 -0.25 6.31 1.01 -1.26 -5.06 120.40 123.29 1ust s VAL 123 Ca 0.35 0.80 -0.00 0.00 0.00 0.00 0.00 61.98 63.12 1ust s VAL 123 Cb 0.40 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 33.13 1ust s VAL 123 CO -0.03 0.44 0.01 -0.54 0.00 0.00 0.00 175.10 174.97 1ust s LYS 124 N -0.05 1.15 -1.52 2.72 1.02 -1.26 -4.87 119.74 116.92 1ust s LYS 124 Ca 0.23 -0.91 -0.07 0.00 0.02 0.00 0.00 55.97 55.23 1ust s LYS 124 Cb -0.15 -2.37 0.06 0.00 -0.52 0.00 0.00 37.83 34.85 1ust s LYS 124 CO 0.10 -0.72 0.58 1.63 -0.92 0.00 0.00 175.35 176.02 1ust n LYS 125 N 4.78 -3.40 -0.05 1.68 4.76 -1.26 -4.88 118.16 119.80 1ust n LYS 125 Ca -0.08 0.40 -0.13 0.00 -2.87 0.00 0.00 58.31 55.64 1ust n LYS 125 Cb 0.44 -4.78 -0.07 0.00 -1.84 0.00 0.00 35.03 28.78 1ust n LYS 125 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1ust h GLU 126 N -1.74 0.31 0.00 1.97 4.57 -1.93 -3.41 114.58 114.35 1ust h GLU 126 Ca -0.61 -0.15 -0.10 0.00 -1.18 0.00 0.00 59.36 57.31 1ust h GLU 126 Cb 1.38 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.87 1ust h GLU 126 CO 0.68 0.68 -0.22 0.36 -1.18 0.00 0.00 179.01 179.33 1ust n LYS 127 N -4.62 0.00 -3.79 1.92 2.85 -1.26 -4.98 118.16 108.28 1ust n LYS 127 Ca -0.06 -0.77 -0.27 0.00 -1.05 0.00 0.00 58.31 56.17 1ust n LYS 127 Cb 0.33 0.45 0.04 0.00 -0.65 0.00 0.00 35.03 35.20 1ust n LYS 127 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1ust n GLU 128 N 0.00 -5.86 -3.39 -1.58 2.13 -1.26 -4.96 120.64 105.72 1ust n GLU 128 Ca -0.21 0.65 -0.38 0.00 0.66 0.00 0.00 57.16 57.88 1ust n GLU 128 Cb 0.61 -5.50 -0.06 0.00 0.27 0.00 0.00 31.44 26.76 1ust n GLU 128 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ust s VAL 129 N -3.39 5.16 0.00 6.31 0.11 -1.26 -5.11 120.40 122.22 1ust s VAL 129 Ca 0.47 0.86 0.00 0.00 -2.93 0.00 0.00 61.98 60.39 1ust s VAL 129 Cb -0.23 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 1ust s VAL 129 CO 0.81 0.40 0.00 -1.20 -3.33 0.00 0.00 175.10 171.77