#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 -5.36 0.00 1.97 1.02 -1.26 -4.67 120.64 112.34 1ust n GLU 40 Ca 0.00 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1ust n GLU 40 Cb 0.00 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 25.98 1ust n GLU 40 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1ust n GLU 41 N -4.17 0.00 -2.32 3.49 0.28 -1.26 -4.71 120.64 111.94 1ust n GLU 41 Ca -0.28 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.35 1ust n GLU 41 Cb 0.67 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.53 1ust n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ust s ALA 42 N -1.83 2.94 0.00 -1.84 0.00 -1.26 -4.89 121.76 114.88 1ust s ALA 42 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1ust s ALA 42 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1ust s ALA 42 CO 0.00 -0.59 1.46 0.43 0.00 0.00 0.00 175.76 177.07 1ust n SER 43 N -0.59 4.03 -1.77 0.00 7.64 -1.26 -4.35 113.62 117.32 1ust n SER 43 Ca 0.08 -2.10 -0.13 0.00 1.01 0.00 0.00 58.87 57.72 1ust n SER 43 Cb 0.49 -0.80 0.04 0.00 -1.01 0.00 0.00 64.21 62.93 1ust n SER 43 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ust n SER 44 N 1.14 5.83 -4.70 6.43 2.88 -1.26 -4.89 113.62 119.05 1ust n SER 44 Ca 0.00 -2.90 -0.42 0.00 -1.33 0.00 0.00 58.87 54.22 1ust n SER 44 Cb 0.46 -1.01 -0.03 0.00 -0.75 0.00 0.00 64.21 62.88 1ust n SER 44 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ust s LYS 45 N -1.46 4.41 -0.18 -1.46 -0.14 -1.26 -4.97 119.74 114.67 1ust s LYS 45 Ca 0.25 1.68 -0.29 0.00 -1.36 0.00 0.00 55.97 56.24 1ust s LYS 45 Cb 0.20 -3.47 -0.03 0.00 -1.68 0.00 0.00 37.83 32.85 1ust s LYS 45 CO 0.00 -0.33 1.53 0.45 -0.76 0.00 0.00 175.35 176.24 1ust s SER 46 N 1.26 6.57 0.36 2.83 0.15 -1.26 -4.84 113.70 118.77 1ust s SER 46 Ca 0.56 1.72 0.06 0.00 0.70 0.00 0.00 55.95 58.99 1ust s SER 46 Cb -0.26 -2.53 0.67 0.00 -1.71 0.00 0.00 66.02 62.19 1ust s SER 46 CO 0.25 -1.08 1.91 1.88 1.20 0.00 0.00 173.24 177.40 1ust h TYR 47 N 9.86 0.48 -0.35 3.44 -1.99 -1.96 0.28 116.97 126.73 1ust h TYR 47 Ca -0.33 -0.04 0.06 0.00 2.00 0.00 0.00 58.73 60.42 1ust h TYR 47 Cb 1.14 -0.14 -0.05 0.00 2.00 0.00 0.00 36.73 39.68 1ust h TYR 47 CO 0.88 0.47 0.05 -0.09 -0.00 0.00 0.00 178.16 179.47 1ust h ARG 48 N 0.45 0.16 -0.16 4.88 2.43 -1.91 0.11 114.38 120.33 1ust h ARG 48 Ca 0.10 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1ust h ARG 48 Cb 0.29 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1ust h ARG 48 CO 0.01 0.10 -0.08 1.49 -1.51 0.00 0.00 179.97 179.98 1ust h GLU 49 N 0.16 0.34 -0.37 0.20 4.57 -1.59 -1.68 114.58 116.20 1ust h GLU 49 Ca 0.17 -0.15 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 1ust h GLU 49 Cb 0.21 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 1ust h GLU 49 CO -0.24 0.66 0.03 -0.07 -1.18 0.00 0.00 179.01 178.20 1ust h LEU 50 N 0.01 -0.10 -0.21 1.64 4.07 -0.10 0.37 115.31 121.00 1ust h LEU 50 Ca 0.04 0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 1ust h LEU 50 Cb 0.56 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1ust h LEU 50 CO 0.02 -0.01 0.02 0.40 -1.08 0.00 0.00 178.44 177.79 1ust h ILE 51 N 0.13 1.24 0.02 1.22 2.04 -0.80 -1.51 117.51 119.85 1ust h ILE 51 Ca 0.18 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1ust h ILE 51 Cb 0.24 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1ust h ILE 51 CO -0.28 0.25 -0.01 0.40 0.00 0.00 0.00 178.15 178.51 1ust h ILE 52 N 0.15 1.04 -0.99 -0.67 2.04 -0.86 1.02 117.51 119.23 1ust h ILE 52 Ca 0.06 -0.16 0.11 0.00 1.00 0.00 0.00 64.86 65.87 1ust h ILE 52 Cb 0.35 1.15 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 1ust h ILE 52 CO 0.01 0.04 0.62 -0.08 0.00 0.00 0.00 178.15 178.74 1ust h GLU 53 N -0.09 0.98 0.15 2.37 4.57 -0.26 -0.62 114.58 121.68 1ust h GLU 53 Ca -0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1ust h GLU 53 Cb 0.09 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1ust h GLU 53 CO 0.00 0.65 -0.07 0.78 -1.18 0.00 0.00 179.01 179.19 1ust h GLY 54 N 1.01 -0.21 0.87 1.92 0.00 -0.90 -3.30 103.07 102.46 1ust h GLY 54 Ca 0.48 0.08 0.12 0.00 0.00 0.00 0.00 47.33 48.00 1ust h GLY 54 CO -0.25 -0.08 0.46 -2.00 0.00 0.00 0.00 176.54 174.68 1ust h LEU 55 N -1.05 0.44 -1.51 3.11 7.12 0.12 0.73 115.31 124.28 1ust h LEU 55 Ca -0.02 0.02 -0.05 0.00 0.13 0.00 0.00 57.88 57.95 1ust h LEU 55 Cb 0.18 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.23 1ust h LEU 55 CO 0.03 0.25 -0.25 0.00 -0.13 0.00 0.00 178.44 178.34 1ust h THR 56 N 0.49 1.06 0.01 1.05 1.03 -1.27 -2.24 112.91 113.04 1ust h THR 56 Ca 0.33 -0.91 -0.21 0.00 -0.01 0.00 0.00 66.41 65.61 1ust h THR 56 Cb 0.63 1.51 -0.03 0.00 -1.07 0.00 0.00 68.15 69.18 1ust h THR 56 CO -0.11 0.25 -1.16 0.00 -0.01 0.00 0.00 175.52 174.49 1ust h ALA 57 N 1.75 0.24 -0.46 0.00 0.00 -0.08 -3.40 119.26 117.31 1ust h ALA 57 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1ust h ALA 57 Cb 0.49 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ust h ALA 57 CO 0.03 0.66 0.00 1.47 0.00 0.00 0.00 179.25 181.41 1ust n LEU 58 N -4.38 3.39 0.28 0.00 -0.00 0.20 -4.37 117.00 112.12 1ust n LEU 58 Ca -0.29 -1.71 0.13 0.00 -0.00 0.00 0.00 56.01 54.13 1ust n LEU 58 Cb 0.69 -0.47 0.81 0.00 -0.00 0.00 0.00 43.42 44.45 1ust n LEU 58 CO 0.23 0.60 1.08 0.07 -0.00 0.00 0.00 177.39 179.37 1ust h LYS 59 N 2.87 0.00 0.00 1.47 -0.00 -1.61 -3.43 116.57 115.87 1ust h LYS 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1ust h LYS 59 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.28 1ust h LYS 59 CO 0.15 0.03 0.00 0.39 -0.00 0.00 0.00 179.45 180.02 1ust n GLU 60 N -4.01 0.00 0.01 0.07 1.02 -1.26 -1.05 120.64 115.42 1ust n GLU 60 Ca -0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.05 1ust n GLU 60 Cb 0.11 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 31.67 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 0.50 0.00 3.49 0.11 -1.99 -3.46 114.38 113.03 1ust h ARG 61 Ca 0.00 -0.24 0.00 0.00 0.10 0.00 0.00 59.98 59.84 1ust h ARG 61 Cb 0.00 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1ust h ARG 61 CO 0.00 0.81 0.00 0.36 0.10 0.00 0.00 179.97 181.24 1ust n LYS 62 N -4.03 0.00 -4.08 0.08 2.85 -0.22 -5.17 118.16 107.59 1ust n LYS 62 Ca -0.01 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.14 1ust n LYS 62 Cb 0.50 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.80 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 -1.03 0.87 0.02 2.58 0.00 -0.84 -4.20 107.32 104.73 1ust s GLY 63 Ca 0.00 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.48 1ust s GLY 63 CO 0.00 -1.11 -0.07 -0.56 0.00 0.00 0.00 173.10 171.36 1ust s SER 64 N -3.04 0.85 0.84 1.64 0.01 0.10 -4.66 113.70 109.44 1ust s SER 64 Ca 0.25 -0.32 -0.10 0.00 1.31 0.00 0.00 55.95 57.09 1ust s SER 64 Cb 0.05 -0.03 0.10 0.00 0.21 0.00 0.00 66.02 66.35 1ust s SER 64 CO 0.05 -0.05 1.11 -0.44 0.41 0.00 0.00 173.24 174.32 1ust s SER 65 N -0.83 3.78 0.13 2.44 0.01 -1.26 0.30 113.70 118.26 1ust s SER 65 Ca -0.03 1.93 -0.23 0.00 1.31 0.00 0.00 55.95 58.93 1ust s SER 65 Cb -0.06 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1ust s SER 65 CO 0.00 -2.52 1.66 0.03 0.41 0.00 0.00 173.24 172.82 1ust h ARG 66 N -1.46 -0.23 -0.64 12.44 3.08 -1.88 -2.37 114.38 123.32 1ust h ARG 66 Ca -0.44 0.02 0.13 0.00 0.07 0.00 0.00 59.98 59.75 1ust h ARG 66 Cb 1.25 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.31 1ust h ARG 66 CO 0.48 -0.16 0.43 -1.00 -1.07 0.00 0.00 179.97 178.66 1ust h PRO 67 N -0.24 0.33 -0.49 0.04 0.13 -1.95 0.25 132.00 130.06 1ust h PRO 67 Ca 0.09 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 1ust h PRO 67 Cb 0.37 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 1ust h PRO 67 CO -0.24 0.22 0.20 0.00 -0.23 0.00 0.00 178.00 177.95 1ust h ALA 68 N 1.69 0.64 -0.16 -0.56 0.00 -1.80 -0.82 119.26 118.25 1ust h ALA 68 Ca 0.31 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ust h ALA 68 Cb 0.73 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ust h ALA 68 CO -0.08 0.24 -0.03 -0.07 0.00 0.00 0.00 179.25 179.31 1ust h LEU 69 N 0.65 0.30 -1.01 0.00 3.38 -0.87 -1.77 115.31 115.99 1ust h LEU 69 Ca 0.16 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1ust h LEU 69 Cb 0.18 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1ust h LEU 69 CO -0.01 0.58 0.48 0.11 0.09 0.00 0.00 178.44 179.68 1ust h LYS 70 N 0.02 1.17 -0.03 1.13 1.57 -0.86 -0.24 116.57 119.32 1ust h LYS 70 Ca 0.04 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1ust h LYS 70 Cb 0.44 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1ust h LYS 70 CO 0.01 0.84 -0.00 -0.22 -0.57 0.00 0.00 179.45 179.51 1ust h LYS 71 N 1.18 0.05 -0.73 3.15 3.64 -1.15 -2.23 116.57 120.48 1ust h LYS 71 Ca 0.30 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.80 1ust h LYS 71 Cb 0.01 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.73 1ust h LYS 71 CO -0.05 0.39 0.26 0.35 -2.27 0.00 0.00 179.45 178.13 1ust h PHE 72 N -0.29 0.43 -0.45 1.91 3.57 -0.92 0.66 116.94 121.85 1ust h PHE 72 Ca 0.01 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1ust h PHE 72 Cb 0.37 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1ust h PHE 72 CO 0.05 0.02 0.12 0.82 -2.23 0.00 0.00 178.31 177.09 1ust h ILE 73 N 0.39 1.23 -0.34 1.41 2.04 -0.94 -1.81 117.51 119.49 1ust h ILE 73 Ca 0.40 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1ust h ILE 73 Cb 0.63 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1ust h ILE 73 CO -0.42 0.28 0.00 0.11 0.00 0.00 0.00 178.15 178.12 1ust h LYS 74 N 0.59 0.52 -0.31 2.37 1.57 -0.57 0.84 116.57 121.58 1ust h LYS 74 Ca 0.14 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1ust h LYS 74 Cb 0.31 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ust h LYS 74 CO -0.00 0.55 -0.33 0.93 -0.57 0.00 0.00 179.45 180.03 1ust h GLU 75 N 0.50 0.77 0.00 3.15 4.39 -0.62 -3.22 114.58 119.55 1ust h GLU 75 Ca 0.11 -0.41 -0.37 0.00 0.34 0.00 0.00 59.36 59.02 1ust h GLU 75 Cb 0.32 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 1ust h GLU 75 CO 0.01 1.04 -2.40 0.09 -1.16 0.00 0.00 179.01 176.59 1ust n ASN 76 N -4.20 0.71 -3.25 1.42 3.02 -0.71 -4.72 115.26 107.53 1ust n ASN 76 Ca -0.04 -0.05 -0.25 0.00 -0.03 0.00 0.00 54.58 54.22 1ust n ASN 76 Cb 0.50 0.53 -0.07 0.00 -0.61 0.00 0.00 39.78 40.14 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 -2.91 1.79 0.33 3.10 4.02 0.29 -4.93 117.16 118.85 1ust n TYR 77 Ca -0.37 -3.87 0.20 0.00 -0.01 0.00 0.00 57.90 53.85 1ust n TYR 77 Cb 1.10 -0.46 1.07 0.00 -0.02 0.00 0.00 39.34 41.03 1ust n TYR 77 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1ust h PRO 78 N 3.81 0.00 -0.02 -0.72 0.11 -1.61 0.15 132.00 133.72 1ust h PRO 78 Ca 0.13 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.27 1ust h PRO 78 Cb 0.76 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.81 1ust h PRO 78 CO 0.65 0.00 -0.41 0.82 -0.21 0.00 0.00 178.00 178.85 1ust h ILE 79 N 0.00 0.16 0.11 4.15 5.03 -1.90 0.57 117.51 125.63 1ust h ILE 79 Ca 0.00 0.00 -0.31 0.00 -0.12 0.00 0.00 64.86 64.43 1ust h ILE 79 Cb 0.21 0.16 -0.01 0.00 -3.03 0.00 0.00 36.82 34.15 1ust h ILE 79 CO 0.00 0.00 -1.57 0.58 -0.68 0.00 0.00 178.15 176.48 1ust h VAL 80 N -0.56 1.10 -0.97 1.67 2.07 -1.79 -3.29 116.25 114.48 1ust h VAL 80 Ca 0.05 -2.76 0.15 0.00 0.82 0.00 0.00 66.70 64.96 1ust h VAL 80 Cb 0.64 2.72 -0.09 0.00 -1.52 0.00 0.00 31.29 33.04 1ust h VAL 80 CO -0.32 0.81 0.59 1.23 0.02 0.00 0.00 177.57 179.89 1ust h GLY 81 N 1.73 1.64 -3.64 2.17 0.00 -0.52 0.15 103.07 104.59 1ust h GLY 81 Ca -0.26 -0.37 -0.46 0.00 0.00 0.00 0.00 47.33 46.24 1ust h GLY 81 CO 0.15 0.05 0.52 -1.26 0.00 0.00 0.00 176.54 176.01 1ust n SER 82 N -4.71 3.54 -4.78 0.19 2.88 0.17 -4.81 113.62 106.10 1ust n SER 82 Ca 0.20 -3.65 -0.37 0.00 -1.33 0.00 0.00 58.87 53.73 1ust n SER 82 Cb 0.44 -0.80 -0.04 0.00 -0.75 0.00 0.00 64.21 63.06 1ust n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ust s ALA 83 N -3.30 3.08 0.33 -1.46 0.00 0.51 -4.94 121.76 115.99 1ust s ALA 83 Ca 0.55 0.71 0.01 0.00 0.00 0.00 0.00 51.96 53.23 1ust s ALA 83 Cb 0.47 -3.28 0.57 0.00 0.00 0.00 0.00 23.12 20.88 1ust s ALA 83 CO 0.09 -0.23 1.98 0.77 0.00 0.00 0.00 175.76 178.37 1ust h SER 84 N 2.49 0.81 -0.36 0.00 0.02 -1.92 -2.60 113.55 111.99 1ust h SER 84 Ca -0.48 -0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.22 1ust h SER 84 Cb 1.22 -0.20 -0.15 0.00 0.14 0.00 0.00 62.40 63.41 1ust h SER 84 CO 0.62 0.58 -0.33 0.59 -1.14 0.00 0.00 176.83 177.14 1ust n ASN 85 N -4.44 3.02 -0.09 3.07 3.02 -1.26 -4.77 115.26 113.81 1ust n ASN 85 Ca 0.09 -3.83 -0.06 0.00 -0.03 0.00 0.00 54.58 50.75 1ust n ASN 85 Cb 0.07 -0.56 0.01 0.00 -0.61 0.00 0.00 39.78 38.69 1ust n ASN 85 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1ust h PHE 86 N 1.31 0.10 -0.53 3.10 3.57 -1.73 0.58 116.94 123.34 1ust h PHE 86 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1ust h PHE 86 Cb 1.37 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.09 1ust h PHE 86 CO 0.93 0.02 0.31 -0.44 -2.23 0.00 0.00 178.31 176.90 1ust h ASP 87 N 0.18 0.66 -0.23 0.41 3.32 -1.86 0.34 116.42 119.24 1ust h ASP 87 Ca 0.16 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1ust h ASP 87 Cb 0.17 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1ust h ASP 87 CO -0.21 0.54 0.01 0.25 -1.72 0.00 0.00 179.24 178.11 1ust h LEU 88 N 0.72 0.39 -0.85 1.55 7.12 -1.86 -2.23 115.31 120.14 1ust h LEU 88 Ca 0.19 -0.30 -0.03 0.00 0.13 0.00 0.00 57.88 57.87 1ust h LEU 88 Cb 0.02 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.01 1ust h LEU 88 CO -0.03 0.59 0.41 1.88 -0.13 0.00 0.00 178.44 181.16 1ust h TYR 89 N 0.17 1.22 0.03 1.25 -1.99 -0.62 -1.97 116.97 115.07 1ust h TYR 89 Ca 0.07 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1ust h TYR 89 Cb 0.39 -0.38 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 1ust h TYR 89 CO 0.03 0.88 -0.04 0.35 -0.00 0.00 0.00 178.16 179.38 1ust h PHE 90 N 1.21 -0.10 -0.78 4.88 3.57 -0.19 0.26 116.94 125.78 1ust h PHE 90 Ca 0.29 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1ust h PHE 90 Cb 0.12 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1ust h PHE 90 CO 0.01 -0.06 0.42 -0.91 -2.23 0.00 0.00 178.31 175.54 1ust h ASN 91 N -0.09 0.98 -0.31 0.41 2.35 -1.18 -1.43 115.58 116.31 1ust h ASN 91 Ca 0.01 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 1ust h ASN 91 Cb 0.09 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1ust h ASN 91 CO -0.02 0.79 -0.17 0.78 -1.65 0.00 0.00 177.43 177.16 1ust h ASN 92 N 1.10 0.77 -0.54 5.81 2.35 -1.11 -2.61 115.58 121.34 1ust h ASN 92 Ca 0.28 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1ust h ASN 92 Cb 0.03 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1ust h ASN 92 CO -0.04 0.94 0.27 0.00 -1.65 0.00 0.00 177.43 176.95 1ust h ALA 93 N 1.13 0.69 0.04 -0.83 0.00 -0.07 -0.42 119.26 119.81 1ust h ALA 93 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ust h ALA 93 Cb 0.66 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ust h ALA 93 CO 0.05 0.24 -0.06 0.82 0.00 0.00 0.00 179.25 180.29 1ust h ILE 94 N 0.72 0.84 -0.70 0.00 1.08 -1.18 0.17 117.51 118.44 1ust h ILE 94 Ca 0.19 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.69 1ust h ILE 94 Cb 0.09 0.84 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 1ust h ILE 94 CO -0.03 0.00 0.44 0.11 -0.69 0.00 0.00 178.15 177.98 1ust h LYS 95 N -0.13 0.83 -0.28 2.37 1.57 -1.23 0.70 116.57 120.40 1ust h LYS 95 Ca 0.01 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1ust h LYS 95 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1ust h LYS 95 CO -0.04 0.55 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.06 1ust h LYS 96 N 0.85 0.57 -0.41 3.15 3.11 -0.84 -2.82 116.57 120.18 1ust h LYS 96 Ca 0.28 -0.24 -0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1ust h LYS 96 Cb 0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 1ust h LYS 96 CO -0.11 0.80 0.25 0.78 -2.81 0.00 0.00 179.45 178.36 1ust h GLY 97 N 0.32 0.60 1.67 5.01 0.00 -0.14 0.39 103.07 110.93 1ust h GLY 97 Ca 0.07 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1ust h GLY 97 CO 0.04 0.24 -0.17 -0.39 0.00 0.00 0.00 176.54 176.26 1ust h VAL 98 N 0.54 1.23 0.10 4.60 -1.51 -0.89 0.72 116.25 121.04 1ust h VAL 98 Ca 0.15 -1.04 -0.26 0.00 -1.23 0.00 0.00 66.70 64.32 1ust h VAL 98 Cb 0.00 1.25 0.03 0.00 -2.13 0.00 0.00 31.29 30.43 1ust h VAL 98 CO -0.03 0.33 -1.08 1.05 -1.23 0.00 0.00 177.57 176.62 1ust h GLU 99 N 0.36 0.56 -0.30 5.19 -0.00 -1.27 -3.34 114.58 115.78 1ust h GLU 99 Ca 0.07 -0.73 -0.11 0.00 -0.00 0.00 0.00 59.36 58.59 1ust h GLU 99 Cb 0.52 0.24 -0.01 0.00 -0.00 0.00 0.00 28.75 29.50 1ust h GLU 99 CO 0.03 1.32 -0.24 0.00 -0.00 0.00 0.00 179.01 180.12 1ust h ALA 100 N 0.27 0.43 0.00 1.06 0.00 -0.77 -3.48 119.26 116.77 1ust h ALA 100 Ca -0.16 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ust h ALA 100 Cb 1.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1ust h ALA 100 CO 0.21 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1ust n GLY 101 N 0.10 0.90 0.16 0.00 0.00 0.05 -5.03 105.19 101.37 1ust n GLY 101 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 2.85 -4.35 1.61 8.00 0.23 -4.91 116.55 119.97 1ust n ASP 102 Ca 0.00 -0.02 -0.18 0.00 0.71 0.00 0.00 54.79 55.30 1ust n ASP 102 Cb 0.00 -0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 1ust n ASP 102 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ust s PHE 103 N -2.18 1.65 0.03 1.24 0.08 -0.97 -2.49 117.98 115.34 1ust s PHE 103 Ca -0.12 -1.12 0.03 0.00 0.12 0.00 0.00 56.93 55.83 1ust s PHE 103 Cb 0.03 -1.00 -0.02 0.00 -0.57 0.00 0.00 43.02 41.47 1ust s PHE 103 CO 0.20 -0.24 -0.08 -1.21 -0.10 0.00 0.00 175.22 173.79 1ust s GLU 104 N -3.99 0.58 -0.63 0.44 2.02 0.13 -3.68 118.70 113.56 1ust s GLU 104 Ca 0.37 -0.60 0.05 0.00 0.02 0.00 0.00 54.97 54.81 1ust s GLU 104 Cb 0.08 -0.46 0.16 0.00 0.10 0.00 0.00 34.13 34.01 1ust s GLU 104 CO 0.14 0.10 0.41 -0.65 0.02 0.00 0.00 175.26 175.28 1ust s GLN 105 N -1.08 2.26 0.00 1.61 -0.21 -1.26 0.40 119.66 121.38 1ust s GLN 105 Ca -0.04 -3.07 -0.01 0.00 0.02 0.00 0.00 55.36 52.26 1ust s GLN 105 Cb -0.07 -3.34 -0.05 0.00 1.00 0.00 0.00 33.01 30.55 1ust s GLN 105 CO 0.00 -1.23 2.17 -0.35 -2.12 0.00 0.00 175.29 173.77 1ust n PRO 106 N 2.39 1.12 0.00 2.91 -0.04 -1.25 -3.40 135.00 136.72 1ust n PRO 106 Ca 0.15 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1ust n PRO 106 Cb 0.34 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1ust n PRO 106 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ust n LYS 107 N 1.75 0.00 0.00 0.54 5.02 -1.26 0.54 118.16 124.74 1ust n LYS 107 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1ust n LYS 107 Cb 0.54 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 1ust n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ust n GLY 108 N 0.63 0.17 3.69 0.72 0.00 -1.22 -4.79 105.19 104.38 1ust n GLY 108 Ca 0.00 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1ust n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ust s PRO 109 N -2.00 4.22 -1.39 1.61 0.04 -1.26 -2.72 135.00 133.50 1ust s PRO 109 Ca 0.00 2.23 -0.07 0.00 0.04 0.00 0.00 61.00 63.20 1ust s PRO 109 Cb 0.00 -3.56 0.04 0.00 0.04 0.00 0.00 34.50 31.02 1ust s PRO 109 CO 0.00 -0.68 0.51 0.00 0.04 0.00 0.00 177.00 176.87 1ust n ALA 110 N 5.43 -1.01 -1.29 8.56 0.00 -1.26 -4.96 120.51 125.98 1ust n ALA 110 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ust n ALA 110 Cb 0.41 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.69 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 -1.30 1.20 3.74 0.00 0.00 -1.10 -4.81 105.19 102.92 1ust n GLY 111 Ca -0.07 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 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 -3.71 3.35 -0.10 4.61 0.00 -1.26 -4.03 121.76 120.62 1ust s ALA 112 Ca 0.00 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1ust s ALA 112 Cb 0.00 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 1ust s ALA 112 CO 0.00 0.07 0.42 0.08 0.00 0.00 0.00 175.76 176.33 1ust s VAL 113 N -0.17 5.17 -0.12 0.00 1.01 0.15 -3.80 120.40 122.64 1ust s VAL 113 Ca 0.40 0.84 0.02 0.00 0.00 0.00 0.00 61.98 63.24 1ust s VAL 113 Cb -0.22 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 1ust s VAL 113 CO 0.25 0.40 -0.20 -0.75 0.00 0.00 0.00 175.10 174.80 1ust s LYS 114 N 0.18 3.16 -0.32 2.72 2.36 0.16 0.01 119.74 128.02 1ust s LYS 114 Ca 0.23 -0.81 -0.29 0.00 -2.55 0.00 0.00 55.97 52.56 1ust s LYS 114 Cb -0.15 -2.43 -0.01 0.00 -1.05 0.00 0.00 37.83 34.19 1ust s LYS 114 CO 0.10 0.17 1.53 -1.17 1.55 0.00 0.00 175.35 177.52 1ust s LEU 115 N 0.41 3.70 0.17 5.43 1.98 -1.26 0.20 118.68 129.31 1ust s LEU 115 Ca -0.15 1.21 -0.31 0.00 -2.89 0.00 0.00 54.13 52.00 1ust s LEU 115 Cb -0.17 -3.53 -0.09 0.00 0.66 0.00 0.00 46.19 43.06 1ust s LEU 115 CO 0.07 -1.38 1.40 0.00 -1.89 0.00 0.00 176.35 174.54 1ust s ALA 116 N 5.48 3.60 -0.41 5.97 0.00 -1.04 -4.91 121.76 130.46 1ust s ALA 116 Ca 0.67 1.18 0.08 0.00 0.00 0.00 0.00 51.96 53.89 1ust s ALA 116 Cb -0.19 -3.53 0.28 0.00 0.00 0.00 0.00 23.12 19.68 1ust s ALA 116 CO 0.30 -0.63 0.72 1.17 0.00 0.00 0.00 175.76 177.32 1ust n LYS 117 N 3.31 0.83 0.00 0.00 4.81 -1.26 -4.84 118.16 121.02 1ust n LYS 117 Ca 0.09 -2.83 0.00 0.00 -0.87 0.00 0.00 58.31 54.70 1ust n LYS 117 Cb 0.42 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.09 1ust n LYS 117 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1ust n LYS 118 N 1.01 0.00 -0.07 1.64 0.00 -1.26 -5.07 118.16 114.41 1ust n LYS 118 Ca 0.18 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.29 1ust n LYS 118 Cb 0.61 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.51 1ust n LYS 118 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1ust h LYS 119 N 0.00 0.07 -2.45 -1.58 6.56 -1.99 -3.49 116.57 113.69 1ust h LYS 119 Ca 0.00 -0.12 -0.09 0.00 -1.06 0.00 0.00 60.65 59.39 1ust h LYS 119 Cb 0.00 0.04 -0.21 0.00 -0.57 0.00 0.00 32.23 31.49 1ust h LYS 119 CO 0.00 1.06 -0.06 -1.12 -2.06 0.00 0.00 179.45 177.27 1ust s SER 120 N -6.79 -0.51 0.15 0.86 0.01 -1.26 -5.03 113.70 101.13 1ust s SER 120 Ca -0.25 0.81 -0.31 0.00 1.31 0.00 0.00 55.95 57.52 1ust s SER 120 Cb 0.04 0.83 -0.08 0.00 0.21 0.00 0.00 66.02 67.02 1ust s SER 120 CO 0.66 -0.33 1.32 -2.84 0.41 0.00 0.00 173.24 172.46 1ust s PRO 121 N -0.35 4.37 -0.37 12.44 0.02 -1.26 -4.91 135.00 144.94 1ust s PRO 121 Ca -0.05 2.01 -0.01 0.00 0.02 0.00 0.00 61.00 62.97 1ust s PRO 121 Cb -0.03 -3.24 0.24 0.00 0.02 0.00 0.00 34.50 31.49 1ust s PRO 121 CO 0.03 -0.31 2.05 -0.85 -0.33 0.00 0.00 177.00 177.59 1ust n GLU 122 N 3.30 1.95 -3.82 5.54 0.00 -1.26 -4.83 120.64 121.53 1ust n GLU 122 Ca 0.08 -1.84 -0.12 0.00 0.00 0.00 0.00 57.16 55.28 1ust n GLU 122 Cb 0.43 -1.73 -0.12 0.00 0.00 0.00 0.00 31.44 30.02 1ust n GLU 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1ust s VAL 123 N -2.66 0.01 0.33 3.84 0.11 -1.26 -5.02 120.40 115.75 1ust s VAL 123 Ca 0.37 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1ust s VAL 123 Cb 0.29 -0.26 0.00 0.00 -1.53 0.00 0.00 36.38 34.87 1ust s VAL 123 CO -0.01 -0.03 0.00 1.17 -3.33 0.00 0.00 175.10 172.89 1ust n LYS 124 N 2.86 0.00 -4.54 1.54 3.00 -1.26 -5.01 118.16 114.75 1ust n LYS 124 Ca -0.13 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.84 1ust n LYS 124 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.48 1ust n LYS 124 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1ust s LYS 125 N -2.00 3.54 7.52 1.64 1.02 -1.26 -4.98 119.74 125.21 1ust s LYS 125 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1ust s LYS 125 Cb 0.00 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 1ust s LYS 125 CO 0.00 0.21 0.00 0.39 -0.92 0.00 0.00 175.35 175.03 1ust n GLU 126 N 3.59 0.00 -3.69 1.68 1.02 -1.26 -4.88 120.64 117.10 1ust n GLU 126 Ca -0.18 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.72 1ust n GLU 126 Cb 0.52 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 32.00 1ust n GLU 126 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ust n LYS 127 N 14.00 -6.59 -2.43 3.49 4.76 -1.26 -4.79 118.16 125.34 1ust n LYS 127 Ca 0.00 0.73 -0.42 0.00 -2.87 0.00 0.00 58.31 55.75 1ust n LYS 127 Cb 0.00 -5.66 -0.03 0.00 -1.84 0.00 0.00 35.03 27.50 1ust n LYS 127 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1ust s GLU 128 N -6.23 4.48 0.25 1.97 8.01 -1.26 -4.60 118.70 121.32 1ust s GLU 128 Ca 0.45 1.78 -0.30 0.00 0.01 0.00 0.00 54.97 56.91 1ust s GLU 128 Cb -0.21 -3.31 -0.10 0.00 -4.31 0.00 0.00 34.13 26.20 1ust s GLU 128 CO 0.77 -0.16 1.43 0.54 0.01 0.00 0.00 175.26 177.86 1ust s VAL 129 N 0.57 2.67 0.00 2.63 0.11 0.19 -4.95 120.40 121.62 1ust s VAL 129 Ca 0.56 0.57 0.00 0.00 -2.93 0.00 0.00 61.98 60.17 1ust s VAL 129 Cb -0.30 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 1ust s VAL 129 CO 0.32 0.09 0.00 -1.20 -3.33 0.00 0.00 175.10 170.98