#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nsn n HIS 17 N 0.00 1.93 -0.07 7.33 -0.00 -1.26 -4.99 115.22 118.17 2nsn n HIS 17 Ca 0.00 -3.97 0.06 0.00 -0.00 0.00 0.00 57.72 53.81 2nsn n HIS 17 Cb 0.00 -0.36 0.42 0.00 -0.00 0.00 0.00 29.99 30.05 2nsn n HIS 17 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2nsn h PRO 18 N 5.14 0.57 0.02 -0.41 0.13 -1.99 -1.08 132.00 134.39 2nsn h PRO 18 Ca 0.18 -0.03 -0.26 0.00 -0.87 0.00 0.00 66.00 65.02 2nsn h PRO 18 Cb 0.79 -0.13 0.02 0.00 0.13 0.00 0.00 31.00 31.80 2nsn h PRO 18 CO 0.63 0.38 -1.05 0.45 -0.23 0.00 0.00 178.00 178.18 2nsn h HIS 19 N 0.59 0.87 -0.51 1.56 3.86 -1.94 -1.70 115.15 117.89 2nsn h HIS 19 Ca 0.22 -0.49 -0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2nsn h HIS 19 Cb 0.13 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 2nsn h HIS 19 CO -0.00 1.33 0.31 0.82 0.86 0.00 0.00 177.93 181.25 2nsn h ILE 20 N 0.31 1.15 -0.82 2.45 2.04 -1.77 -2.49 117.51 118.39 2nsn h ILE 20 Ca -0.12 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.41 2nsn h ILE 20 Cb 1.70 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 2nsn h ILE 20 CO 0.20 0.16 0.55 -0.61 0.00 0.00 0.00 178.15 178.44 2nsn h GLN 21 N 0.69 1.08 -0.56 2.37 -0.00 -1.17 -1.05 115.11 116.46 2nsn h GLN 21 Ca 0.18 -0.06 0.05 0.00 -0.00 0.00 0.00 58.65 58.82 2nsn h GLN 21 Cb -0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 27.48 27.17 2nsn h GLN 21 CO -0.04 0.71 0.29 -0.07 0.00 0.00 0.00 178.83 179.72 2nsn h LEU 22 N 1.11 0.40 -0.55 -2.39 4.07 -0.99 -0.08 115.31 116.88 2nsn h LEU 22 Ca 0.30 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 58.25 2nsn h LEU 22 Cb -0.12 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 2nsn h LEU 22 CO -0.07 0.27 0.13 -0.07 -1.08 0.00 0.00 178.44 177.62 2nsn h LEU 23 N 0.54 0.83 -0.83 1.67 3.38 -0.99 -2.57 115.31 117.33 2nsn h LEU 23 Ca 0.25 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2nsn h LEU 23 Cb 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2nsn h LEU 23 CO -0.18 0.85 -0.27 0.11 0.09 0.00 0.00 178.44 179.04 2nsn h LYS 24 N 0.77 0.00 0.00 1.13 1.57 -0.81 -3.14 116.57 116.09 2nsn h LYS 24 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2nsn h LYS 24 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2nsn h LYS 24 CO 0.00 0.27 -1.08 0.43 -0.57 0.00 0.00 179.45 178.50 2nsn n SER 25 N -3.35 0.61 -1.52 0.86 7.64 -0.08 -4.35 113.62 113.43 2nsn n SER 25 Ca 0.01 -0.03 -0.07 0.00 1.01 0.00 0.00 58.87 59.79 2nsn n SER 25 Cb 0.50 0.77 0.10 0.00 -1.01 0.00 0.00 64.21 64.56 2nsn n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2nsn n ASN 26 N -2.17 2.86 -0.23 6.43 3.02 -0.98 -4.88 115.26 119.32 2nsn n ASN 26 Ca 0.01 -3.40 -0.06 0.00 -0.03 0.00 0.00 54.58 51.10 2nsn n ASN 26 Cb 0.48 -0.42 0.04 0.00 -0.61 0.00 0.00 39.78 39.26 2nsn n ASN 26 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2nsn h ARG 27 N 1.65 0.88 -0.37 3.52 2.43 -1.74 -2.56 114.38 118.19 2nsn h ARG 27 Ca 0.10 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2nsn h ARG 27 Cb 1.35 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2nsn h ARG 27 CO 0.33 0.65 0.11 1.49 -1.51 0.00 0.00 179.97 181.04 2nsn h GLU 28 N 0.87 0.57 -0.26 0.20 4.57 -1.91 0.28 114.58 118.91 2nsn h GLU 28 Ca 0.23 -0.12 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 2nsn h GLU 28 Cb 0.01 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.45 2nsn h GLU 28 CO -0.04 0.59 -0.24 1.25 -1.18 0.00 0.00 179.01 179.39 2nsn h LEU 29 N 0.45 -0.79 -0.28 1.64 6.46 -1.91 -1.32 115.31 119.56 2nsn h LEU 29 Ca 0.12 0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 2nsn h LEU 29 Cb 0.26 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 2nsn h LEU 29 CO -0.00 -0.28 0.02 -0.07 -0.62 0.00 0.00 178.44 177.49 2nsn h LEU 30 N -0.24 0.46 -1.20 2.25 3.38 -1.04 -1.13 115.31 117.79 2nsn h LEU 30 Ca 0.14 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2nsn h LEU 30 Cb 0.46 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2nsn h LEU 30 CO -0.40 0.63 0.12 0.58 0.09 0.00 0.00 178.44 179.47 2nsn h VAL 31 N 0.28 1.20 0.00 1.22 2.07 -0.35 -2.40 116.25 118.26 2nsn h VAL 31 Ca 0.08 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2nsn h VAL 31 Cb 0.38 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2nsn h VAL 31 CO 0.01 0.26 -1.17 0.35 0.02 0.00 0.00 177.57 177.04 2nsn n THR 32 N -4.31 0.29 0.18 2.57 -2.24 -0.51 -4.45 114.28 105.81 2nsn n THR 32 Ca 0.03 -0.39 0.02 0.00 -2.27 0.00 0.00 64.05 61.45 2nsn n THR 32 Cb 0.20 -0.02 0.02 0.00 -2.10 0.00 0.00 70.33 68.43 2nsn n THR 32 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2nsn n HIS 33 N -2.25 0.01 -3.16 4.78 8.25 -0.44 -4.85 115.22 117.56 2nsn n HIS 33 Ca 0.00 -0.02 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2nsn n HIS 33 Cb 0.50 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 2nsn n HIS 33 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2nsn s ILE 34 N -0.40 4.89 -2.31 1.59 1.01 -0.91 -4.95 121.20 120.12 2nsn s ILE 34 Ca 0.05 -0.07 0.24 0.00 0.00 0.00 0.00 60.65 60.88 2nsn s ILE 34 Cb 0.04 -4.18 0.18 0.00 0.01 0.00 0.00 42.46 38.51 2nsn s ILE 34 CO 0.06 -0.58 1.32 0.54 0.00 0.00 0.00 174.94 176.28 2nsn n ARG 35 N 6.10 1.51 -3.69 2.79 1.74 -1.26 -4.81 116.66 119.04 2nsn n ARG 35 Ca -0.03 -1.15 -0.19 0.00 -0.77 0.00 0.00 57.85 55.70 2nsn n ARG 35 Cb 0.47 -1.48 -0.18 0.00 -1.02 0.00 0.00 32.46 30.26 2nsn n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2nsn s ASN 36 N -2.28 0.95 0.00 0.55 3.84 -1.26 -5.02 114.94 111.72 2nsn s ASN 36 Ca 0.25 0.09 0.15 0.00 0.21 0.00 0.00 52.86 53.56 2nsn s ASN 36 Cb 0.19 -0.11 -0.16 0.00 -0.55 0.00 0.00 41.25 40.62 2nsn s ASN 36 CO 0.45 -0.23 0.65 0.35 -2.79 0.00 0.00 177.10 175.53 2nsn n THR 37 N 5.13 0.00 -0.19 -5.21 -2.24 -1.26 -4.63 114.28 105.87 2nsn n THR 37 Ca -0.07 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 2nsn n THR 37 Cb 0.50 1.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.75 2nsn n THR 37 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2nsn h GLN 38 N 0.03 0.99 -0.44 -0.78 5.75 -1.99 -1.63 115.11 117.04 2nsn h GLN 38 Ca 0.00 -0.32 -0.04 0.00 -0.15 0.00 0.00 58.65 58.14 2nsn h GLN 38 Cb 0.36 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 2nsn h GLN 38 CO 0.00 1.00 0.12 0.00 -2.65 0.00 0.00 178.83 177.30 2nsn h LEU 40 N 0.63 -0.30 -0.69 0.00 3.38 -1.74 -1.95 115.31 114.63 2nsn h LEU 40 Ca 0.15 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2nsn h LEU 40 Cb 0.21 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2nsn h LEU 40 CO -0.01 0.04 0.43 0.58 0.09 0.00 0.00 178.44 179.57 2nsn h VAL 41 N -0.65 1.10 -0.42 1.22 2.07 -1.18 -0.99 116.25 117.40 2nsn h VAL 41 Ca -0.04 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2nsn h VAL 41 Cb 0.46 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2nsn h VAL 41 CO 0.06 0.15 0.27 0.44 0.02 0.00 0.00 177.57 178.52 2nsn h ASP 42 N 0.85 0.49 -0.45 0.57 3.32 -1.00 -0.18 116.42 120.02 2nsn h ASP 42 Ca 0.28 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 2nsn h ASP 42 Cb 0.01 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2nsn h ASP 42 CO -0.11 0.36 -0.27 -1.13 -1.72 0.00 0.00 179.24 176.38 2nsn h ASN 43 N 0.57 1.01 -0.39 6.45 -0.73 -1.07 -1.16 115.58 120.26 2nsn h ASN 43 Ca 0.15 -0.42 -0.03 0.00 1.87 0.00 0.00 56.30 57.88 2nsn h ASN 43 Cb -0.05 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.24 2nsn h ASN 43 CO -0.03 1.21 0.16 -0.07 -0.37 0.00 0.00 177.43 178.32 2nsn h LEU 44 N 0.81 0.59 0.13 0.34 3.38 -0.78 -1.42 115.31 118.35 2nsn h LEU 44 Ca 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2nsn h LEU 44 Cb 0.85 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2nsn h LEU 44 CO 0.08 0.55 -0.06 -0.07 0.09 0.00 0.00 178.44 179.03 2nsn h LEU 45 N 0.64 -0.15 -1.10 1.67 4.07 -0.91 -0.17 115.31 119.37 2nsn h LEU 45 Ca 0.15 -0.28 0.11 0.00 0.08 0.00 0.00 57.88 57.94 2nsn h LEU 45 Cb 0.17 0.04 -0.07 0.00 1.08 0.00 0.00 40.66 41.87 2nsn h LEU 45 CO -0.01 0.22 0.61 0.50 -1.08 0.00 0.00 178.44 178.68 2nsn h LYS 46 N -0.54 0.93 -0.46 1.13 3.64 -0.99 -1.74 116.57 118.55 2nsn h LYS 46 Ca -0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2nsn h LYS 46 Cb 0.43 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2nsn h LYS 46 CO 0.03 0.62 0.00 0.09 -2.27 0.00 0.00 179.45 177.92 2nsn n ASN 47 N -4.57 2.45 -1.47 4.20 3.02 -0.56 -4.94 115.26 113.41 2nsn n ASN 47 Ca 0.17 -2.00 -0.14 0.00 -0.03 0.00 0.00 54.58 52.58 2nsn n ASN 47 Cb 0.32 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 2nsn n ASN 47 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2nsn n ASP 48 N 0.83 -4.39 -0.04 6.41 8.00 -0.65 -4.88 116.55 121.83 2nsn n ASP 48 Ca 0.15 0.07 -0.09 0.00 0.71 0.00 0.00 54.79 55.64 2nsn n ASP 48 Cb 0.39 -3.45 -0.14 0.00 -0.02 0.00 0.00 41.12 37.89 2nsn n ASP 48 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2nsn n TYR 49 N -3.67 0.78 -4.45 1.24 4.01 -0.13 -4.90 117.16 110.05 2nsn n TYR 49 Ca -0.16 0.28 -0.33 0.00 -0.16 0.00 0.00 57.90 57.53 2nsn n TYR 49 Cb 0.59 -1.14 -0.10 0.00 -0.31 0.00 0.00 39.34 38.37 2nsn n TYR 49 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2nsn s PHE 50 N -2.57 3.00 0.66 -0.72 0.40 -0.84 -4.99 117.98 112.92 2nsn s PHE 50 Ca -0.06 0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.29 2nsn s PHE 50 Cb 0.08 -1.69 0.06 0.00 0.51 0.00 0.00 43.02 41.98 2nsn s PHE 50 CO 0.82 0.40 0.94 -1.54 0.70 0.00 0.00 175.22 176.55 2nsn s SER 51 N -1.17 4.85 0.20 1.36 1.04 -1.26 -4.47 113.70 114.25 2nsn s SER 51 Ca 0.16 0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.67 2nsn s SER 51 Cb -0.11 -0.87 0.24 0.00 0.10 0.00 0.00 66.02 65.37 2nsn s SER 51 CO 0.05 -1.52 1.74 0.00 0.98 0.00 0.00 173.24 174.49 2nsn h ALA 52 N -0.40 0.69 -0.64 5.32 0.00 -1.99 -2.19 119.26 120.05 2nsn h ALA 52 Ca -0.43 0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.71 2nsn h ALA 52 Cb 1.30 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 19.06 2nsn h ALA 52 CO 0.54 -0.23 -0.07 0.93 0.00 0.00 0.00 179.25 180.42 2nsn h GLU 53 N 0.35 0.06 -0.35 0.00 5.08 -1.99 -0.64 114.58 117.09 2nsn h GLU 53 Ca 0.28 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2nsn h GLU 53 Cb 0.35 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2nsn h GLU 53 CO -0.31 0.04 0.20 -0.44 -1.00 0.00 0.00 179.01 177.50 2nsn h ASP 54 N 0.06 0.43 -0.77 1.42 3.32 -1.80 -1.80 116.42 117.27 2nsn h ASP 54 Ca 0.33 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.31 2nsn h ASP 54 Cb 0.53 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 2nsn h ASP 54 CO -0.60 0.38 0.51 0.00 -1.72 0.00 0.00 179.24 177.81 2nsn h ALA 55 N 1.07 1.44 -0.36 3.45 0.00 -0.87 -1.67 119.26 122.31 2nsn h ALA 55 Ca 0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2nsn h ALA 55 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2nsn h ALA 55 CO -0.02 0.52 -0.13 1.49 0.00 0.00 0.00 179.25 181.11 2nsn h GLU 56 N 1.05 0.73 -0.60 0.00 4.81 -0.84 0.90 114.58 120.63 2nsn h GLU 56 Ca 0.28 -0.30 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2nsn h GLU 56 Cb -0.12 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 2nsn h GLU 56 CO -0.06 0.90 0.37 0.82 -0.73 0.00 0.00 179.01 180.31 2nsn h ILE 57 N 0.52 1.08 -0.60 2.32 2.04 -1.15 -1.52 117.51 120.20 2nsn h ILE 57 Ca 0.09 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2nsn h ILE 57 Cb 0.66 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2nsn h ILE 57 CO 0.04 0.13 0.11 0.58 0.00 0.00 0.00 178.15 179.02 2nsn h VAL 58 N 0.73 1.25 -0.85 1.67 2.07 -1.09 -2.99 116.25 117.04 2nsn h VAL 58 Ca 0.24 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.83 2nsn h VAL 58 Cb 0.01 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 2nsn h VAL 58 CO -0.10 0.35 0.56 0.00 0.02 0.00 0.00 177.57 178.41 2nsn h ALA 60 N 1.34 1.24 -2.21 0.00 0.00 -1.13 -3.41 119.26 115.08 2nsn h ALA 60 Ca 0.33 -0.04 -0.56 0.00 0.00 0.00 0.00 54.91 54.64 2nsn h ALA 60 Cb -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2nsn h ALA 60 CO -0.09 0.05 0.95 0.00 0.00 0.00 0.00 179.25 180.16 2nsn h PRO 62 N 8.60 0.18 -6.25 0.00 0.11 -1.87 -3.43 132.00 129.33 2nsn h PRO 62 Ca -0.32 -0.06 -0.47 0.00 0.11 0.00 0.00 66.00 65.26 2nsn h PRO 62 Cb 1.14 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2nsn h PRO 62 CO 0.96 0.47 -0.38 0.95 -0.21 0.00 0.00 178.00 179.79 2nsn s THR 63 N -4.83 5.23 0.10 -1.15 -4.23 -1.26 -4.97 115.64 104.52 2nsn s THR 63 Ca -0.14 -0.84 -0.22 0.00 -1.18 0.00 0.00 61.69 59.30 2nsn s THR 63 Cb 0.05 -3.85 -0.12 0.00 1.34 0.00 0.00 72.50 69.91 2nsn s THR 63 CO 0.70 -0.36 1.73 1.56 -0.54 0.00 0.00 174.62 177.72 2nsn h GLN 64 N 1.16 0.00 -0.48 3.99 1.08 -1.95 -1.06 115.11 117.85 2nsn h GLN 64 Ca -0.51 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 56.78 2nsn h GLN 64 Cb 1.22 -0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.57 2nsn h GLN 64 CO 0.62 0.00 -0.01 -1.35 -0.95 0.00 0.00 178.83 177.14 2nsn h PRO 65 N 0.00 0.10 -0.81 1.46 0.11 -1.88 -0.26 132.00 130.73 2nsn h PRO 65 Ca 0.02 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.22 2nsn h PRO 65 Cb 0.03 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.05 2nsn h PRO 65 CO -0.04 0.06 0.46 -0.44 -0.21 0.00 0.00 178.00 177.83 2nsn h ASP 66 N 0.10 0.65 -0.51 -2.05 3.32 -1.87 -1.29 116.42 114.76 2nsn h ASP 66 Ca 0.24 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 2nsn h ASP 66 Cb 0.36 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2nsn h ASP 66 CO -0.41 0.37 0.08 0.11 -1.72 0.00 0.00 179.24 177.67 2nsn h LYS 67 N 0.77 0.85 -0.56 3.56 1.57 -0.08 -2.20 116.57 120.48 2nsn h LYS 67 Ca 0.39 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2nsn h LYS 67 Cb 0.36 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2nsn h LYS 67 CO -0.25 0.84 0.36 0.28 -0.57 0.00 0.00 179.45 180.12 2nsn h VAL 68 N 0.73 1.12 -0.79 0.50 2.07 -0.70 0.23 116.25 119.40 2nsn h VAL 68 Ca 0.15 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.51 2nsn h VAL 68 Cb 0.41 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 2nsn h VAL 68 CO 0.01 0.13 0.44 0.03 0.02 0.00 0.00 177.57 178.21 2nsn h ARG 69 N 0.73 0.73 -0.16 1.57 3.08 -1.05 0.37 114.38 119.66 2nsn h ARG 69 Ca 0.21 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 2nsn h ARG 69 Cb -0.06 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 2nsn h ARG 69 CO -0.06 0.48 -0.22 -0.22 -1.07 0.00 0.00 179.97 178.88 2nsn h LYS 70 N 0.75 0.43 -0.33 0.04 1.63 -0.82 -1.48 116.57 116.79 2nsn h LYS 70 Ca 0.38 -0.25 0.03 0.00 -0.85 0.00 0.00 60.65 59.96 2nsn h LYS 70 Cb 0.35 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.96 2nsn h LYS 70 CO -0.24 0.84 0.12 0.82 -3.45 0.00 0.00 179.45 177.53 2nsn h ILE 71 N 0.05 0.92 -0.47 2.00 2.04 -0.70 -0.94 117.51 120.41 2nsn h ILE 71 Ca 0.02 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2nsn h ILE 71 Cb 0.79 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2nsn h ILE 71 CO 0.05 0.05 0.28 -0.07 0.00 0.00 0.00 178.15 178.46 2nsn h LEU 72 N 0.27 0.46 -0.65 1.44 3.38 -0.88 -0.40 115.31 118.93 2nsn h LEU 72 Ca 0.15 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2nsn h LEU 72 Cb 0.11 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2nsn h LEU 72 CO -0.14 0.33 0.38 0.44 0.09 0.00 0.00 178.44 179.53 2nsn h ASP 73 N 0.57 0.58 -0.13 -0.43 3.32 -0.91 -0.38 116.42 119.04 2nsn h ASP 73 Ca 0.19 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2nsn h ASP 73 Cb 0.01 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 2nsn h ASP 73 CO -0.08 0.39 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.68 2nsn h LEU 74 N 0.72 0.30 0.09 1.55 3.38 -0.88 -2.48 115.31 117.97 2nsn h LEU 74 Ca 0.28 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2nsn h LEU 74 Cb 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2nsn h LEU 74 CO -0.15 0.66 -0.13 0.58 0.09 0.00 0.00 178.44 179.49 2nsn h VAL 75 N -0.07 0.69 -0.73 1.22 2.07 -0.93 -2.16 116.25 116.34 2nsn h VAL 75 Ca 0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.67 2nsn h VAL 75 Cb 0.56 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 2nsn h VAL 75 CO 0.02 0.00 0.33 1.56 0.02 0.00 0.00 177.57 179.50 2nsn h GLN 76 N -0.27 0.50 0.00 1.57 4.20 -1.09 -1.46 115.11 118.57 2nsn h GLN 76 Ca 0.02 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 2nsn h GLN 76 Cb 0.28 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2nsn h GLN 76 CO -0.07 0.33 -0.25 0.66 -0.67 0.00 0.00 178.83 178.83 2nsn h SER 77 N 0.52 0.00 1.42 1.46 4.64 -1.25 -1.93 113.55 118.41 2nsn h SER 77 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2nsn h SER 77 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2nsn h SER 77 CO -0.34 0.25 0.00 0.11 -0.87 0.00 0.00 176.83 175.98 2nsn h LYS 78 N 0.00 0.00 0.00 4.77 1.57 -0.61 -3.50 116.57 118.81 2nsn h LYS 78 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2nsn h LYS 78 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2nsn h LYS 78 CO 0.03 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.32 2nsn n GLY 79 N 0.79 -0.93 0.27 3.86 0.00 -0.73 -4.66 105.19 103.79 2nsn n GLY 79 Ca 0.04 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 2nsn n GLY 79 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2nsn h GLU 80 N 4.28 0.92 -0.39 1.61 4.57 -1.89 -1.01 114.58 122.67 2nsn h GLU 80 Ca 0.00 -0.32 -0.16 0.00 -1.18 0.00 0.00 59.36 57.70 2nsn h GLU 80 Cb 0.00 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 2nsn h GLU 80 CO 0.00 0.97 -0.39 0.93 -1.18 0.00 0.00 179.01 179.35 2nsn h GLU 81 N 0.78 0.95 -0.49 1.92 3.07 -1.96 -0.45 114.58 118.39 2nsn h GLU 81 Ca 0.13 -0.50 -0.13 0.00 -0.50 0.00 0.00 59.36 58.36 2nsn h GLU 81 Cb 0.60 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 2nsn h GLU 81 CO 0.04 1.16 -0.22 0.28 -1.40 0.00 0.00 179.01 178.87 2nsn h VAL 82 N 0.77 1.27 -0.71 3.13 2.07 -1.80 -1.14 116.25 119.84 2nsn h VAL 82 Ca 0.06 -1.39 0.02 0.00 0.82 0.00 0.00 66.70 66.22 2nsn h VAL 82 Cb 0.98 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 2nsn h VAL 82 CO 0.10 0.48 0.46 0.28 0.02 0.00 0.00 177.57 178.90 2nsn h SER 83 N 0.87 0.77 -0.51 0.57 0.02 -1.01 -0.39 113.55 113.86 2nsn h SER 83 Ca 0.11 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2nsn h SER 83 Cb 0.80 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2nsn h SER 83 CO 0.07 0.54 0.18 -0.08 -1.14 0.00 0.00 176.83 176.40 2nsn h GLU 84 N 0.91 0.78 -0.58 3.45 4.81 -0.90 -2.14 114.58 120.91 2nsn h GLU 84 Ca 0.28 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2nsn h GLU 84 Cb -0.03 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 2nsn h GLU 84 CO -0.09 0.71 0.36 0.35 -0.73 0.00 0.00 179.01 179.61 2nsn h PHE 85 N 0.69 0.67 -0.89 0.92 3.04 -0.97 -2.08 116.94 118.31 2nsn h PHE 85 Ca 0.17 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.17 2nsn h PHE 85 Cb 0.24 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 38.48 2nsn h PHE 85 CO 0.01 0.39 0.58 0.35 -2.02 0.00 0.00 178.31 177.62 2nsn h PHE 86 N 0.71 1.09 -0.41 0.41 3.57 -0.85 0.07 116.94 121.52 2nsn h PHE 86 Ca 0.23 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.63 2nsn h PHE 86 Cb 0.00 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 2nsn h PHE 86 CO -0.05 0.63 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.35 2nsn h LEU 87 N 1.13 0.92 -1.14 0.59 3.38 -1.05 -1.10 115.31 118.04 2nsn h LEU 87 Ca 0.35 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2nsn h LEU 87 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2nsn h LEU 87 CO -0.11 1.14 -0.09 1.88 0.09 0.00 0.00 178.44 181.34 2nsn h TYR 88 N 0.70 0.53 -0.13 1.13 0.05 -1.22 -1.11 116.97 116.92 2nsn h TYR 88 Ca 0.09 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2nsn h TYR 88 Cb 0.81 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 2nsn h TYR 88 CO 0.06 0.58 0.06 1.25 -1.05 0.00 0.00 178.16 179.05 2nsn h LEU 89 N 0.47 0.18 -0.80 3.88 5.85 -0.75 -1.14 115.31 123.00 2nsn h LEU 89 Ca 0.09 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.73 2nsn h LEU 89 Cb 0.44 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 2nsn h LEU 89 CO 0.02 0.29 0.47 -0.07 -0.34 0.00 0.00 178.44 178.81 2nsn h LEU 90 N 0.06 0.71 -0.34 2.25 3.38 -0.95 -0.24 115.31 120.19 2nsn h LEU 90 Ca 0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2nsn h LEU 90 Cb 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2nsn h LEU 90 CO -0.00 0.44 0.16 -0.61 0.09 0.00 0.00 178.44 178.52 2nsn h GLN 91 N 0.83 0.33 0.18 1.13 4.15 -0.99 -0.14 115.11 120.62 2nsn h GLN 91 Ca 0.36 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.75 2nsn h GLN 91 Cb 0.24 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2nsn h GLN 91 CO -0.20 0.22 -0.09 0.37 -1.93 0.00 0.00 178.83 177.20 2nsn h GLN 92 N 0.34 -0.24 -0.66 1.69 4.15 -0.66 -2.30 115.11 117.43 2nsn h GLN 92 Ca 0.14 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 2nsn h GLN 92 Cb 0.06 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 2nsn h GLN 92 CO -0.10 -0.12 0.15 -0.07 -1.93 0.00 0.00 178.83 176.76 2nsn h LEU 93 N -0.30 1.00 -1.74 -2.39 3.38 -0.95 -1.70 115.31 112.61 2nsn h LEU 93 Ca -0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2nsn h LEU 93 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2nsn h LEU 93 CO 0.04 0.97 -0.17 0.00 0.09 0.00 0.00 178.44 179.37 2nsn h ALA 94 N 1.16 1.35 0.00 1.53 0.00 -0.94 -2.91 119.26 119.44 2nsn h ALA 94 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2nsn h ALA 94 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2nsn h ALA 94 CO 0.00 0.21 -0.99 -3.47 0.00 0.00 0.00 179.25 175.00 2nsn n ASP 95 N -3.79 0.65 -0.22 0.00 2.03 -0.85 -4.27 116.55 110.10 2nsn n ASP 95 Ca -0.02 0.01 -0.08 0.00 0.52 0.00 0.00 54.79 55.22 2nsn n ASP 95 Cb 0.27 0.65 0.05 0.00 -0.72 0.00 0.00 41.12 41.36 2nsn n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2nsn h ALA 96 N 2.37 0.89 0.00 -1.67 0.00 -1.12 -3.32 119.26 116.41 2nsn h ALA 96 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2nsn h ALA 96 Cb 0.82 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2nsn h ALA 96 CO 0.00 0.67 0.00 0.66 0.00 0.00 0.00 179.25 180.58 2nsn n TYR 97 N -4.19 0.00 -0.09 0.00 4.01 -1.26 -4.84 117.16 110.79 2nsn n TYR 97 Ca 0.04 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2nsn n TYR 97 Cb 0.32 -0.02 0.28 0.00 -0.31 0.00 0.00 39.34 39.61 2nsn n TYR 97 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2nsn h VAL 98 N 1.00 1.18 0.00 -0.72 3.04 -1.74 -1.58 116.25 117.43 2nsn h VAL 98 Ca 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2nsn h VAL 98 Cb 0.58 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 2nsn h VAL 98 CO 0.00 0.22 0.00 0.47 -1.01 0.00 0.00 177.57 177.25 2nsn n ASP 99 N -4.36 0.00 0.00 3.17 8.00 -1.26 -2.19 116.55 119.91 2nsn n ASP 99 Ca 0.04 -0.45 0.10 0.00 0.71 0.00 0.00 54.79 55.20 2nsn n ASP 99 Cb 0.14 -0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.13 2nsn n ASP 99 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2nsn n LEU 100 N -1.04 0.80 -0.33 0.64 4.77 -0.60 -4.65 117.00 116.59 2nsn n LEU 100 Ca 0.12 -0.35 0.07 0.00 -0.03 0.00 0.00 56.01 55.83 2nsn n LEU 100 Cb 0.07 -0.04 0.24 0.00 -2.33 0.00 0.00 43.42 41.36 2nsn n LEU 100 CO 0.10 0.19 1.18 0.03 -1.33 0.00 0.00 177.39 177.56 2nsn h ARG 101 N 0.00 0.81 0.12 3.23 2.47 -1.54 -1.27 114.38 118.21 2nsn h ARG 101 Ca 0.00 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 2nsn h ARG 101 Cb 0.57 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2nsn h ARG 101 CO 0.00 0.54 -0.06 -1.35 0.56 0.00 0.00 179.97 179.66 2nsn h PRO 102 N 0.84 -0.16 -0.58 0.04 0.11 -1.82 -3.12 132.00 127.31 2nsn h PRO 102 Ca 0.49 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.70 2nsn h PRO 102 Cb 0.57 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.64 2nsn h PRO 102 CO -0.30 0.08 0.18 2.35 -0.21 0.00 0.00 178.00 180.10 2nsn h TRP 103 N -0.39 0.30 0.00 0.65 7.01 -1.77 -2.30 115.95 119.44 2nsn h TRP 103 Ca -0.02 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2nsn h TRP 103 Cb 0.32 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.33 2nsn h TRP 103 CO 0.00 0.05 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.59 2nsn h LEU 104 N 0.33 0.00 -0.14 0.65 3.38 -1.24 -0.42 115.31 117.87 2nsn h LEU 104 Ca 0.30 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.03 2nsn h LEU 104 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 2nsn h LEU 104 CO -0.33 0.03 -0.84 -0.07 0.09 0.00 0.00 178.44 177.32 2nsn h LEU 105 N 0.00 0.91 -1.59 1.67 3.38 -1.36 -3.35 115.31 114.96 2nsn h LEU 105 Ca -0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2nsn h LEU 105 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2nsn h LEU 105 CO 0.00 1.43 0.00 -0.33 0.09 0.00 0.00 178.44 179.63 2nsn h GLU 106 N 0.49 0.00 0.00 1.13 5.08 -0.82 -3.41 114.58 117.05 2nsn h GLU 106 Ca -0.07 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.05 2nsn h GLU 106 Cb 1.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.69 2nsn h GLU 106 CO 0.17 0.00 -1.29 -0.84 -1.00 0.00 0.00 179.01 176.05 2nsn h ILE 107 N 0.00 1.26 -4.07 3.13 3.07 -1.66 -3.49 117.51 115.75 2nsn h ILE 107 Ca 0.00 -3.00 -0.49 0.00 1.55 0.00 0.00 64.86 62.92 2nsn h ILE 107 Cb 0.31 2.61 -0.30 0.00 -0.27 0.00 0.00 36.82 39.17 2nsn h ILE 107 CO 0.00 0.72 -0.81 -0.83 -1.05 0.00 0.00 178.15 176.17 2nsn s GLY 108 N -4.87 0.71 0.62 0.16 0.00 -1.26 -5.16 107.32 97.52 2nsn s GLY 108 Ca -0.01 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 44.03 2nsn s GLY 108 CO 0.82 -0.39 1.02 1.08 0.00 0.00 0.00 173.10 175.62 2nsn s LEU 109 N -0.15 3.24 0.00 0.66 1.43 -1.26 -5.11 118.68 117.49 2nsn s LEU 109 Ca 0.02 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 2nsn s LEU 109 Cb -0.07 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.74 2nsn s LEU 109 CO 0.00 -0.87 0.43 -1.84 0.23 0.00 0.00 176.35 174.30