#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 0.00 -2.10 -1.58 4.07 -1.26 -5.11 120.64 114.66 1ust n GLU 40 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 1ust n GLU 40 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 1ust n GLU 40 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1ust s GLU 41 N -2.00 3.39 -0.08 5.31 1.03 -1.26 -4.89 118.70 120.19 1ust s GLU 41 Ca 0.00 1.86 -0.01 0.00 0.03 0.00 0.00 54.97 56.85 1ust s GLU 41 Cb 0.00 -2.21 0.01 0.00 -0.80 0.00 0.00 34.13 31.13 1ust s GLU 41 CO 0.00 -0.88 2.28 0.00 -1.33 0.00 0.00 175.26 175.33 1ust n ALA 42 N -0.97 4.68 -2.63 -0.84 0.00 -1.26 -4.77 120.51 114.71 1ust n ALA 42 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1ust n ALA 42 Cb 0.48 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1ust n ALA 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ust n SER 43 N 1.39 1.83 -3.19 0.00 3.41 -1.26 -4.69 113.62 111.10 1ust n SER 43 Ca 0.14 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.52 1ust n SER 43 Cb 0.58 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.56 1ust n SER 43 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ust n SER 44 N 0.00 -5.55 -4.69 4.04 2.88 -1.26 -4.72 113.62 104.32 1ust n SER 44 Ca 0.00 -0.36 -0.36 0.00 -1.33 0.00 0.00 58.87 56.82 1ust n SER 44 Cb 0.00 -4.49 -0.08 0.00 -0.75 0.00 0.00 64.21 58.89 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 -5.88 4.15 -0.03 -1.46 -0.14 -1.26 -4.99 119.74 110.13 1ust s LYS 45 Ca 0.37 -0.11 -0.30 0.00 -1.36 0.00 0.00 55.97 54.57 1ust s LYS 45 Cb -0.17 -3.50 -0.05 0.00 -1.68 0.00 0.00 37.83 32.43 1ust s LYS 45 CO 0.46 0.12 1.36 0.45 -0.76 0.00 0.00 175.35 176.98 1ust s SER 46 N 0.81 6.89 0.50 2.83 0.15 -1.26 -4.87 113.70 118.76 1ust s SER 46 Ca 0.11 2.03 0.24 0.00 0.70 0.00 0.00 55.95 59.03 1ust s SER 46 Cb -0.13 -2.56 1.35 0.00 -1.71 0.00 0.00 66.02 62.97 1ust s SER 46 CO 0.04 -0.70 2.06 1.88 1.20 0.00 0.00 173.24 177.71 1ust h TYR 47 N 7.86 0.00 -0.76 3.44 -1.99 -1.99 -1.84 116.97 121.69 1ust h TYR 47 Ca -0.36 0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.47 1ust h TYR 47 Cb 1.17 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.82 1ust h TYR 47 CO 0.76 0.14 0.39 -0.09 -0.00 0.00 0.00 178.16 179.35 1ust h ARG 48 N 0.00 0.61 -0.07 4.88 2.43 -1.93 0.37 114.38 120.67 1ust h ARG 48 Ca -0.00 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1ust h ARG 48 Cb 0.33 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1ust h ARG 48 CO 0.02 0.40 -0.29 0.93 -1.51 0.00 0.00 179.97 179.52 1ust h GLU 49 N 0.63 0.32 -0.01 0.20 4.39 -1.74 -2.87 114.58 115.50 1ust h GLU 49 Ca 0.38 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1ust h GLU 49 Cb 0.44 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1ust h GLU 49 CO -0.29 0.89 0.01 -0.07 -1.16 0.00 0.00 179.01 178.39 1ust h LEU 50 N -0.17 0.02 0.12 1.33 4.07 -1.08 -0.34 115.31 119.25 1ust h LEU 50 Ca -0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 1ust h LEU 50 Cb 0.94 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.67 1ust h LEU 50 CO 0.06 0.08 -0.06 0.40 -1.08 0.00 0.00 178.44 177.84 1ust h ILE 51 N -0.05 0.96 -0.66 1.22 2.04 -0.40 -2.68 117.51 117.94 1ust h ILE 51 Ca 0.01 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1ust h ILE 51 Cb 0.07 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1ust h ILE 51 CO -0.00 0.08 0.43 0.40 0.00 0.00 0.00 178.15 179.06 1ust h ILE 52 N -0.31 1.17 -0.79 -0.67 2.04 -1.49 1.15 117.51 118.62 1ust h ILE 52 Ca -0.02 -0.33 0.16 0.00 1.00 0.00 0.00 64.86 65.67 1ust h ILE 52 Cb 0.25 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.44 1ust h ILE 52 CO 0.03 0.17 0.32 -0.08 0.00 0.00 0.00 178.15 178.59 1ust h GLU 53 N 0.89 0.43 0.00 2.37 4.57 -0.97 -0.03 114.58 121.84 1ust h GLU 53 Ca 0.24 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 1ust h GLU 53 Cb -0.09 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1ust h GLU 53 CO -0.05 0.29 -0.07 0.78 -1.18 0.00 0.00 179.01 178.78 1ust h GLY 54 N 0.45 0.00 0.24 1.92 0.00 -1.04 -3.30 103.07 101.34 1ust h GLY 54 Ca 0.44 0.00 0.25 0.00 0.00 0.00 0.00 47.33 48.02 1ust h GLY 54 CO -0.43 0.00 0.63 -2.00 0.00 0.00 0.00 176.54 174.74 1ust h LEU 55 N -1.00 0.09 -0.37 3.11 5.85 0.16 0.89 115.31 124.04 1ust h LEU 55 Ca -0.01 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1ust h LEU 55 Cb 0.45 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1ust h LEU 55 CO -0.01 0.03 -0.82 0.00 -0.34 0.00 0.00 178.44 177.30 1ust h THR 56 N 0.08 1.54 0.00 1.05 1.03 -1.17 -3.18 112.91 112.27 1ust h THR 56 Ca 0.43 -2.67 -0.17 0.00 -0.01 0.00 0.00 66.41 63.99 1ust h THR 56 Cb 1.58 2.46 -0.03 0.00 -1.07 0.00 0.00 68.15 71.10 1ust h THR 56 CO -0.05 0.77 -0.97 0.00 -0.01 0.00 0.00 175.52 175.26 1ust h ALA 57 N 1.12 0.19 -0.30 0.00 0.00 0.38 -3.38 119.26 117.28 1ust h ALA 57 Ca -0.02 -1.01 -0.03 0.00 0.00 0.00 0.00 54.91 53.84 1ust h ALA 57 Cb 1.44 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 1ust h ALA 57 CO 0.11 0.56 0.04 1.47 0.00 0.00 0.00 179.25 181.44 1ust n LEU 58 N -4.48 3.45 0.12 0.00 -0.00 0.21 -4.26 117.00 112.02 1ust n LEU 58 Ca -0.26 -1.76 0.06 0.00 -0.00 0.00 0.00 56.01 54.06 1ust n LEU 58 Cb 0.60 -0.60 0.53 0.00 -0.00 0.00 0.00 43.42 43.95 1ust n LEU 58 CO 0.20 0.47 1.12 0.07 -0.00 0.00 0.00 177.39 179.25 1ust h LYS 59 N 1.68 0.27 0.00 1.47 -0.00 -1.73 -3.39 116.57 114.86 1ust h LYS 59 Ca 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.68 1ust h LYS 59 Cb 1.29 -0.06 0.00 0.00 -0.00 0.00 0.00 32.23 33.46 1ust h LYS 59 CO 0.27 0.18 0.00 0.39 -0.00 0.00 0.00 179.45 180.29 1ust n GLU 60 N -4.50 0.00 -0.00 0.07 1.02 -1.26 -0.80 120.64 115.16 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 0.10 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 31.75 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 0.53 0.00 3.49 0.11 -1.99 -3.45 114.38 113.07 1ust h ARG 61 Ca 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 59.98 59.92 1ust h ARG 61 Cb 0.00 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.03 1ust h ARG 61 CO 0.00 0.65 0.00 0.36 0.10 0.00 0.00 179.97 181.08 1ust n LYS 62 N -4.19 0.00 -4.01 0.08 2.85 0.02 -5.16 118.16 107.74 1ust n LYS 62 Ca 0.01 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1ust n LYS 62 Cb 0.34 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.68 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 -1.82 1.03 0.03 2.58 0.00 -0.30 -4.64 107.32 104.20 1ust s GLY 63 Ca 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 44.72 43.49 1ust s GLY 63 CO 0.00 -0.78 0.02 -0.56 0.00 0.00 0.00 173.10 171.78 1ust s SER 64 N -3.15 0.24 0.82 1.64 0.01 -0.02 -4.71 113.70 108.53 1ust s SER 64 Ca 0.26 -0.55 -0.10 0.00 1.31 0.00 0.00 55.95 56.86 1ust s SER 64 Cb -0.01 0.16 0.09 0.00 0.21 0.00 0.00 66.02 66.46 1ust s SER 64 CO 0.16 -0.40 1.11 -0.55 0.41 0.00 0.00 173.24 173.97 1ust s SER 65 N -1.83 3.93 0.18 2.44 0.15 -1.26 0.13 113.70 117.44 1ust s SER 65 Ca -0.10 1.96 -0.16 0.00 0.70 0.00 0.00 55.95 58.35 1ust s SER 65 Cb -0.05 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.87 1ust s SER 65 CO -0.03 -2.42 1.65 0.03 1.20 0.00 0.00 173.24 173.67 1ust h ARG 66 N -1.40 -0.01 -1.00 5.44 -0.00 -1.93 -2.27 114.38 113.22 1ust h ARG 66 Ca -0.43 0.00 0.20 0.00 -0.50 0.00 0.00 59.98 59.25 1ust h ARG 66 Cb 1.24 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 31.11 1ust h ARG 66 CO 0.48 -0.01 0.62 -1.00 0.00 0.00 0.00 179.97 180.06 1ust h PRO 67 N -0.01 0.65 -0.33 0.04 0.13 -1.92 0.49 132.00 131.05 1ust h PRO 67 Ca 0.23 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.26 1ust h PRO 67 Cb 0.36 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 1ust h PRO 67 CO -0.50 0.43 -0.03 0.00 -0.23 0.00 0.00 178.00 177.67 1ust h ALA 68 N 1.65 0.44 -0.65 -0.56 0.00 -1.78 -1.68 119.26 116.68 1ust h ALA 68 Ca 0.57 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1ust h ALA 68 Cb 1.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1ust h ALA 68 CO -0.36 0.23 0.24 -0.07 0.00 0.00 0.00 179.25 179.29 1ust h LEU 69 N 0.39 0.92 -1.12 0.00 3.38 -0.79 -0.74 115.31 117.35 1ust h LEU 69 Ca 0.09 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ust h LEU 69 Cb 0.49 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1ust h LEU 69 CO 0.02 0.86 0.58 0.11 0.09 0.00 0.00 178.44 180.10 1ust h LYS 70 N 0.93 1.16 -0.11 1.13 1.57 0.07 -0.49 116.57 120.84 1ust h LYS 70 Ca 0.21 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1ust h LYS 70 Cb 0.25 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1ust h LYS 70 CO -0.01 0.78 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.37 1ust h LYS 71 N 1.20 0.23 -0.62 3.15 3.64 -0.95 -1.78 116.57 121.44 1ust h LYS 71 Ca 0.32 -0.10 0.12 0.00 -1.27 0.00 0.00 60.65 59.73 1ust h LYS 71 Cb -0.13 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.59 1ust h LYS 71 CO -0.07 0.58 0.10 0.35 -2.27 0.00 0.00 179.45 178.14 1ust h PHE 72 N -0.12 0.14 -0.50 1.91 3.57 -0.58 0.13 116.94 121.49 1ust h PHE 72 Ca 0.03 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1ust h PHE 72 Cb 0.51 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1ust h PHE 72 CO 0.07 -0.08 -0.15 0.82 -2.23 0.00 0.00 178.31 176.74 1ust h ILE 73 N 0.22 1.27 -0.79 1.41 2.04 -1.04 -0.92 117.51 119.70 1ust h ILE 73 Ca 0.33 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 1ust h ILE 73 Cb 0.52 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1ust h ILE 73 CO -0.46 0.45 0.31 0.11 0.00 0.00 0.00 178.15 178.56 1ust h LYS 74 N 0.83 1.19 -0.14 2.37 1.57 -0.28 0.65 116.57 122.77 1ust h LYS 74 Ca 0.12 -0.22 -0.22 0.00 -1.87 0.00 0.00 60.65 58.46 1ust h LYS 74 Cb 0.71 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1ust h LYS 74 CO 0.05 0.97 -0.79 0.93 -0.57 0.00 0.00 179.45 180.04 1ust h GLU 75 N 1.15 0.76 0.07 3.15 4.39 -0.69 -3.34 114.58 120.07 1ust h GLU 75 Ca 0.26 -0.63 -0.37 0.00 0.34 0.00 0.00 59.36 58.97 1ust h GLU 75 Cb 0.23 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1ust h GLU 75 CO -0.02 1.24 -2.12 0.09 -1.16 0.00 0.00 179.01 177.03 1ust n ASN 76 N -3.92 2.05 -3.59 1.42 3.02 -0.36 -4.70 115.26 109.18 1ust n ASN 76 Ca -0.07 0.12 -0.27 0.00 -0.03 0.00 0.00 54.58 54.32 1ust n ASN 76 Cb 0.75 -0.72 -0.09 0.00 -0.61 0.00 0.00 39.78 39.10 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 -3.54 3.53 0.26 3.10 4.02 0.23 -4.93 117.16 119.83 1ust n TYR 77 Ca -0.38 -4.21 0.18 0.00 -0.01 0.00 0.00 57.90 53.48 1ust n TYR 77 Cb 0.99 -0.59 0.91 0.00 -0.02 0.00 0.00 39.34 40.63 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 4.60 0.00 -0.17 -0.72 0.11 -1.68 0.37 132.00 134.51 1ust h PRO 78 Ca 0.18 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.34 1ust h PRO 78 Cb 0.69 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.73 1ust h PRO 78 CO 0.80 0.00 -0.39 0.82 -0.21 0.00 0.00 178.00 179.02 1ust h ILE 79 N 0.00 0.18 0.03 4.15 5.03 -1.91 0.22 117.51 125.21 1ust h ILE 79 Ca 0.05 0.00 -0.32 0.00 -0.12 0.00 0.00 64.86 64.47 1ust h ILE 79 Cb 0.38 0.18 -0.05 0.00 -3.03 0.00 0.00 36.82 34.31 1ust h ILE 79 CO -0.00 0.00 -1.86 0.52 -0.68 0.00 0.00 178.15 176.13 1ust n VAL 80 N -5.43 1.62 -0.32 1.67 0.31 -1.02 -3.89 118.33 111.26 1ust n VAL 80 Ca -0.03 -0.77 0.04 0.00 -0.01 0.00 0.00 64.34 63.57 1ust n VAL 80 Cb 0.35 -1.13 0.19 0.00 -0.91 0.00 0.00 33.84 32.34 1ust n VAL 80 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1ust h GLY 81 N 3.02 1.41 -3.90 2.92 0.00 -0.07 0.52 103.07 106.97 1ust h GLY 81 Ca -0.35 -0.37 -0.55 0.00 0.00 0.00 0.00 47.33 46.06 1ust h GLY 81 CO 0.07 0.17 0.67 -1.26 0.00 0.00 0.00 176.54 176.19 1ust n SER 82 N -4.68 4.91 -4.84 0.19 2.88 0.77 -4.76 113.62 108.10 1ust n SER 82 Ca 0.15 -3.68 -0.35 0.00 -1.33 0.00 0.00 58.87 53.67 1ust n SER 82 Cb 0.29 -0.87 -0.06 0.00 -0.75 0.00 0.00 64.21 62.82 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 -3.46 3.50 0.07 -1.46 0.00 0.17 -5.00 121.76 115.58 1ust s ALA 83 Ca 0.59 -0.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 1ust s ALA 83 Cb 0.48 -2.64 -0.08 0.00 0.00 0.00 0.00 23.12 20.88 1ust s ALA 83 CO 0.07 0.40 1.63 -1.12 0.00 0.00 0.00 175.76 176.74 1ust s SER 84 N -1.78 6.62 -1.31 0.00 0.01 -1.26 -1.89 113.70 114.09 1ust s SER 84 Ca 0.41 2.46 0.00 0.00 1.31 0.00 0.00 55.95 60.14 1ust s SER 84 Cb -0.15 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1ust s SER 84 CO 0.20 -0.87 0.00 0.59 0.41 0.00 0.00 173.24 173.56 1ust n ASN 85 N 5.54 -4.61 -0.22 2.44 5.03 -1.26 -4.91 115.26 117.27 1ust n ASN 85 Ca 0.16 -0.01 -0.06 0.00 0.87 0.00 0.00 54.58 55.53 1ust n ASN 85 Cb 0.41 -3.75 0.04 0.00 -1.02 0.00 0.00 39.78 35.46 1ust n ASN 85 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1ust h PHE 86 N 0.00 0.83 -0.84 3.10 3.57 -1.67 0.28 116.94 122.20 1ust h PHE 86 Ca -0.36 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.25 1ust h PHE 86 Cb 1.27 -0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.65 1ust h PHE 86 CO 0.41 0.57 0.47 0.22 -2.23 0.00 0.00 178.31 177.74 1ust h ASP 87 N 0.85 0.63 -0.02 0.41 3.58 -1.91 0.17 116.42 120.13 1ust h ASP 87 Ca 0.22 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.72 1ust h ASP 87 Cb -0.01 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1ust h ASP 87 CO -0.04 0.33 -0.05 0.25 -2.88 0.00 0.00 179.24 176.84 1ust h LEU 88 N 0.73 0.08 -1.22 2.28 7.12 -1.83 -3.26 115.31 119.21 1ust h LEU 88 Ca 0.43 -0.60 0.09 0.00 0.13 0.00 0.00 57.88 57.92 1ust h LEU 88 Cb 0.48 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.53 1ust h LEU 88 CO -0.29 0.67 0.56 1.88 -0.13 0.00 0.00 178.44 181.13 1ust h TYR 89 N -0.50 0.93 -0.89 1.25 -1.99 -0.32 -1.88 116.97 113.57 1ust h TYR 89 Ca -0.00 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.79 1ust h TYR 89 Cb 0.66 -0.30 -0.05 0.00 2.00 0.00 0.00 36.73 39.03 1ust h TYR 89 CO 0.13 0.45 0.57 0.35 -0.00 0.00 0.00 178.16 179.67 1ust h PHE 90 N 0.88 1.08 -0.42 4.88 3.57 -0.73 0.89 116.94 127.09 1ust h PHE 90 Ca 0.39 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 1ust h PHE 90 Cb 0.35 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1ust h PHE 90 CO -0.00 0.62 0.25 -0.91 -2.23 0.00 0.00 178.31 176.03 1ust h ASN 91 N 1.11 0.51 -0.38 0.41 2.35 -1.40 0.44 115.58 118.62 1ust h ASN 91 Ca 0.35 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.99 1ust h ASN 91 Cb 0.01 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1ust h ASN 91 CO -0.12 0.43 0.06 0.78 -1.65 0.00 0.00 177.43 176.93 1ust h ASN 92 N 0.55 0.68 -0.59 5.81 2.35 -1.36 -1.72 115.58 121.30 1ust h ASN 92 Ca 0.15 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1ust h ASN 92 Cb 0.02 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1ust h ASN 92 CO -0.03 0.71 0.27 0.00 -1.65 0.00 0.00 177.43 176.73 1ust h ALA 93 N 1.38 0.77 -0.23 -0.83 0.00 -0.01 0.19 119.26 120.53 1ust h ALA 93 Ca 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ust h ALA 93 Cb 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ust h ALA 93 CO 0.01 0.35 0.14 0.82 0.00 0.00 0.00 179.25 180.56 1ust h ILE 94 N 0.81 1.08 -0.76 0.00 1.08 -0.49 0.21 117.51 119.44 1ust h ILE 94 Ca 0.20 -0.20 0.01 0.00 -0.39 0.00 0.00 64.86 64.49 1ust h ILE 94 Cb 0.15 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 1ust h ILE 94 CO -0.02 0.08 0.50 0.11 -0.69 0.00 0.00 178.15 178.13 1ust h LYS 95 N 0.29 0.99 -0.63 2.37 1.57 -0.96 0.43 116.57 120.62 1ust h LYS 95 Ca 0.08 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1ust h LYS 95 Cb 0.01 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1ust h LYS 95 CO -0.02 0.65 0.05 -0.22 -0.57 0.00 0.00 179.45 179.35 1ust h LYS 96 N 1.01 1.07 -0.37 3.15 3.11 -0.23 -2.43 116.57 121.89 1ust h LYS 96 Ca 0.28 -0.31 -0.14 0.00 -2.81 0.00 0.00 60.65 57.67 1ust h LYS 96 Cb -0.09 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.02 1ust h LYS 96 CO -0.07 1.01 -0.33 0.78 -2.81 0.00 0.00 179.45 178.03 1ust h GLY 97 N 1.02 0.96 1.41 5.01 0.00 0.12 -1.90 103.07 109.69 1ust h GLY 97 Ca 0.19 -0.96 -0.15 0.00 0.00 0.00 0.00 47.33 46.41 1ust h GLY 97 CO 0.02 0.87 -0.46 -0.39 0.00 0.00 0.00 176.54 176.58 1ust h VAL 98 N 0.68 1.30 -0.29 4.60 -1.51 -0.88 0.16 116.25 120.31 1ust h VAL 98 Ca 0.06 -1.66 -0.11 0.00 -1.23 0.00 0.00 66.70 63.76 1ust h VAL 98 Cb 0.92 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1ust h VAL 98 CO 0.08 0.53 -0.27 1.05 -1.23 0.00 0.00 177.57 177.73 1ust h GLU 99 N 0.51 0.58 0.00 5.19 4.11 -1.46 -2.05 114.58 121.45 1ust h GLU 99 Ca 0.03 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1ust h GLU 99 Cb 1.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1ust h GLU 99 CO 0.09 0.79 0.00 0.00 0.07 0.00 0.00 179.01 179.97 1ust n ALA 100 N -2.49 1.81 -2.62 1.06 0.00 -0.72 -4.89 120.51 112.66 1ust n ALA 100 Ca -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 1ust n ALA 100 Cb 0.43 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.50 1ust n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ust n GLY 101 N 0.31 0.50 0.04 0.00 0.00 -0.65 -4.94 105.19 100.44 1ust n GLY 101 Ca 0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 1ust n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ust n ASP 102 N 0.54 3.34 -4.43 1.61 2.03 0.46 -4.80 116.55 115.31 1ust n ASP 102 Ca -0.01 -0.01 -0.24 0.00 0.52 0.00 0.00 54.79 55.05 1ust n ASP 102 Cb 0.52 0.47 -0.10 0.00 -0.72 0.00 0.00 41.12 41.28 1ust n ASP 102 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1ust s PHE 103 N -2.16 2.17 -0.03 -0.67 0.08 -0.90 -1.07 117.98 115.39 1ust s PHE 103 Ca -0.05 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.56 1ust s PHE 103 Cb 0.02 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 1ust s PHE 103 CO 0.26 0.59 0.12 -1.83 -0.10 0.00 0.00 175.22 174.25 1ust s GLU 104 N -3.30 0.26 -0.38 0.44 -1.05 0.20 -3.67 118.70 111.20 1ust s GLU 104 Ca 0.26 -0.05 -0.05 0.00 -0.15 0.00 0.00 54.97 54.98 1ust s GLU 104 Cb -0.05 0.11 0.08 0.00 -0.44 0.00 0.00 34.13 33.84 1ust s GLU 104 CO 0.12 -0.05 0.17 -0.65 0.95 0.00 0.00 175.26 175.80 1ust s GLN 105 N -0.46 2.30 0.35 -4.83 -0.21 -1.26 0.59 119.66 116.14 1ust s GLN 105 Ca -0.05 -1.56 0.03 0.00 0.02 0.00 0.00 55.36 53.80 1ust s GLN 105 Cb -0.04 -3.54 0.63 0.00 1.00 0.00 0.00 33.01 31.07 1ust s GLN 105 CO 0.00 -0.91 1.94 -1.00 -2.12 0.00 0.00 175.29 173.20 1ust h PRO 106 N 8.15 0.66 -0.97 2.91 0.13 -1.90 -2.55 132.00 138.43 1ust h PRO 106 Ca -0.18 -0.09 -0.38 0.00 -0.87 0.00 0.00 66.00 64.49 1ust h PRO 106 Cb 1.06 -0.12 -0.22 0.00 0.13 0.00 0.00 31.00 31.85 1ust h PRO 106 CO 0.67 0.54 0.48 1.63 -0.23 0.00 0.00 178.00 181.09 1ust n LYS 107 N -4.36 2.22 -0.37 0.86 5.02 -1.26 -4.34 118.16 115.92 1ust n LYS 107 Ca 0.04 -2.43 0.05 0.00 -2.02 0.00 0.00 58.31 53.95 1ust n LYS 107 Cb 0.15 -1.96 -0.02 0.00 -0.02 0.00 0.00 35.03 33.18 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 -0.69 -1.79 3.77 0.72 0.00 -0.64 -4.49 105.19 102.07 1ust n GLY 108 Ca 0.46 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 1ust n GLY 108 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ust s PRO 109 N -1.84 4.19 -0.80 1.61 0.02 -1.26 -2.73 135.00 134.19 1ust s PRO 109 Ca 0.00 2.39 -0.05 0.00 0.02 0.00 0.00 61.00 63.37 1ust s PRO 109 Cb 0.00 -2.99 0.01 0.00 0.02 0.00 0.00 34.50 31.54 1ust s PRO 109 CO 0.00 -0.40 0.69 0.00 -0.33 0.00 0.00 177.00 176.97 1ust n ALA 110 N 0.55 -0.84 -3.00 -1.55 0.00 -1.26 -5.00 120.51 109.42 1ust n ALA 110 Ca 0.01 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ust n ALA 110 Cb 0.41 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.60 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 -1.36 5.43 3.75 0.00 0.00 -1.11 -5.03 105.19 106.87 1ust n GLY 111 Ca -0.02 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.00 3.41 0.17 4.61 0.00 -1.26 -3.25 121.76 123.43 1ust s ALA 112 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1ust s ALA 112 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1ust s ALA 112 CO 0.00 0.11 0.34 0.08 0.00 0.00 0.00 175.76 176.29 1ust s VAL 113 N -0.15 5.26 -0.07 0.00 1.01 0.12 -3.23 120.40 123.33 1ust s VAL 113 Ca 0.36 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1ust s VAL 113 Cb -0.20 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1ust s VAL 113 CO 0.21 -0.11 0.17 -0.75 0.00 0.00 0.00 175.10 174.63 1ust s LYS 114 N -3.19 0.15 -0.11 2.72 2.47 0.20 -0.84 119.74 121.14 1ust s LYS 114 Ca 0.37 0.36 -0.34 0.00 -1.56 0.00 0.00 55.97 54.80 1ust s LYS 114 Cb -0.11 -0.08 -0.11 0.00 -1.46 0.00 0.00 37.83 36.06 1ust s LYS 114 CO 0.28 -0.12 1.93 -0.11 0.16 0.00 0.00 175.35 177.49 1ust n LEU 115 N 3.84 3.40 -4.71 5.43 -0.00 -1.26 -0.63 117.00 123.07 1ust n LEU 115 Ca -0.22 0.89 -0.41 0.00 -0.00 0.00 0.00 56.01 56.27 1ust n LEU 115 Cb 0.54 -1.38 -0.04 0.00 -0.00 0.00 0.00 43.42 42.54 1ust n LEU 115 CO 0.18 -0.12 0.55 0.00 -0.00 0.00 0.00 177.39 178.00 1ust s ALA 116 N 4.58 3.28 0.00 1.96 0.00 -0.23 -4.81 121.76 126.54 1ust s ALA 116 Ca 0.94 0.31 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1ust s ALA 116 Cb -0.67 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1ust s ALA 116 CO 0.50 -0.22 0.00 1.63 0.00 0.00 0.00 175.76 177.67 1ust n LYS 117 N 4.00 0.00 -3.87 0.00 4.76 -1.26 -4.70 118.16 117.09 1ust n LYS 117 Ca 0.03 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.33 1ust n LYS 117 Cb 0.51 -0.68 -0.15 0.00 -1.84 0.00 0.00 35.03 32.88 1ust n LYS 117 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1ust s LYS 118 N -1.46 0.03 -1.20 1.97 -0.14 -1.26 -5.04 119.74 112.64 1ust s LYS 118 Ca 0.00 0.04 -0.08 0.00 -1.36 0.00 0.00 55.97 54.57 1ust s LYS 118 Cb 0.00 -0.11 -0.10 0.00 -1.68 0.00 0.00 37.83 35.94 1ust s LYS 118 CO 0.00 -0.04 2.76 1.63 -0.76 0.00 0.00 175.35 178.93 1ust n LYS 119 N 3.40 2.97 -1.60 1.68 4.01 -1.26 -4.93 118.16 122.44 1ust n LYS 119 Ca -0.17 -1.80 -0.32 0.00 -0.51 0.00 0.00 58.31 55.51 1ust n LYS 119 Cb 0.57 -2.58 0.06 0.00 -0.51 0.00 0.00 35.03 32.57 1ust n LYS 119 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1ust s SER 120 N 2.52 4.96 1.27 4.39 1.04 -1.26 -5.05 113.70 121.58 1ust s SER 120 Ca 0.60 1.91 -0.19 0.00 0.48 0.00 0.00 55.95 58.74 1ust s SER 120 Cb 0.17 -2.54 0.29 0.00 0.10 0.00 0.00 66.02 64.04 1ust s SER 120 CO -0.04 -1.73 0.91 -0.81 0.98 0.00 0.00 173.24 172.55 1ust n PRO 121 N -2.81 -3.33 -3.18 4.02 -0.04 -1.26 -4.28 135.00 124.12 1ust n PRO 121 Ca 0.10 -1.47 -0.20 0.00 -0.04 0.00 0.00 63.50 61.89 1ust n PRO 121 Cb 0.52 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 1ust n PRO 121 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ust n GLU 122 N -4.68 -5.56 -2.85 0.54 1.02 -1.26 -4.92 120.64 102.93 1ust n GLU 122 Ca 0.13 0.74 -0.18 0.00 -0.02 0.00 0.00 57.16 57.83 1ust n GLU 122 Cb 0.52 -5.37 -0.01 0.00 -0.02 0.00 0.00 31.44 26.56 1ust n GLU 122 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ust n VAL 123 N -4.49 1.23 -1.98 2.62 0.31 -1.26 -4.90 118.33 109.86 1ust n VAL 123 Ca -0.04 -4.34 -0.30 0.00 -0.01 0.00 0.00 64.34 59.65 1ust n VAL 123 Cb 0.58 -0.34 0.03 0.00 -0.91 0.00 0.00 33.84 33.19 1ust n VAL 123 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1ust n LYS 124 N -0.06 3.20 -0.64 5.55 2.85 -1.26 -4.45 118.16 123.34 1ust n LYS 124 Ca 0.23 -3.94 0.05 0.00 -1.05 0.00 0.00 58.31 53.60 1ust n LYS 124 Cb 0.66 -2.27 0.09 0.00 -0.65 0.00 0.00 35.03 32.86 1ust n LYS 124 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1ust n LYS 125 N -0.66 0.70 0.00 -1.58 5.02 -1.26 -4.76 118.16 115.62 1ust n LYS 125 Ca 0.49 -2.17 0.11 0.00 -2.02 0.00 0.00 58.31 54.71 1ust n LYS 125 Cb 0.67 -0.90 -0.00 0.00 -0.02 0.00 0.00 35.03 34.78 1ust n LYS 125 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1ust n GLU 126 N -0.52 1.30 0.00 1.97 0.28 -1.26 -1.62 120.64 120.80 1ust n GLU 126 Ca 0.10 -1.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.07 1ust n GLU 126 Cb 0.79 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 32.20 1ust n GLU 126 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ust n LYS 127 N 0.04 0.00 -2.73 3.44 4.81 -1.26 -3.32 118.16 119.14 1ust n LYS 127 Ca 0.09 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.45 1ust n LYS 127 Cb 0.46 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.61 1ust n LYS 127 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ust n GLU 128 N 0.00 1.12 -1.41 1.64 -0.58 -1.26 -5.00 120.64 115.14 1ust n GLU 128 Ca 0.00 -2.00 -0.37 0.00 -0.42 0.00 0.00 57.16 54.37 1ust n GLU 128 Cb 0.00 -0.56 -0.04 0.00 -0.57 0.00 0.00 31.44 30.28 1ust n GLU 128 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ust n VAL 129 N -0.16 4.37 -1.26 2.62 0.31 -1.21 -5.09 118.33 117.91 1ust n VAL 129 Ca 0.02 -2.82 0.00 0.00 -0.01 0.00 0.00 64.34 61.53 1ust n VAL 129 Cb 0.78 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1ust n VAL 129 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27