#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nct h ASN 8 N 0.00 1.03 -0.60 1.96 -0.73 -1.99 -2.18 115.58 113.06 3nct h ASN 8 Ca 0.00 -0.34 0.04 0.00 1.87 0.00 0.00 56.30 57.88 3nct h ASN 8 Cb 0.00 -0.28 -0.05 0.00 0.27 0.00 0.00 38.32 38.27 3nct h ASN 8 CO 0.00 1.12 0.34 0.58 -0.37 0.00 0.00 177.43 179.10 3nct h VAL 9 N 0.91 1.00 -0.92 2.57 2.07 -2.03 -1.61 116.25 118.24 3nct h VAL 9 Ca 0.15 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3nct h VAL 9 Cb 0.63 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 3nct h VAL 9 CO 0.04 0.12 0.57 -0.07 0.02 0.00 0.00 177.57 178.25 3nct h LEU 10 N 0.65 0.87 -1.10 2.57 -0.00 -1.89 -1.87 115.31 114.55 3nct h LEU 10 Ca 0.26 0.03 -0.08 0.00 -0.00 0.00 0.00 57.88 58.09 3nct h LEU 10 Cb 0.12 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.62 3nct h LEU 10 CO -0.15 0.52 -0.37 1.56 -0.00 0.00 0.00 178.44 180.00 3nct h GLN 11 N 0.99 0.00 -2.45 1.13 4.20 -1.04 -3.42 115.11 114.52 3nct h GLN 11 Ca 0.42 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.43 3nct h GLN 11 Cb 0.29 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.92 3nct h GLN 11 CO -0.21 0.37 1.87 2.41 -0.67 0.00 0.00 178.83 182.60 3nct n THR 12 N -3.68 4.95 -4.22 -0.54 -1.04 -0.64 -4.64 114.28 104.46 3nct n THR 12 Ca -0.01 -4.24 -0.15 0.00 -2.04 0.00 0.00 64.05 57.61 3nct n THR 12 Cb 0.47 -1.91 -0.09 0.00 -1.82 0.00 0.00 70.33 66.97 3nct n THR 12 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3nct s ASN 14 N 0.17 0.70 0.24 8.00 2.20 -1.26 -5.08 114.94 119.91 3nct s ASN 14 Ca 0.53 -1.51 -0.05 0.00 -0.94 0.00 0.00 52.86 50.89 3nct s ASN 14 Cb 0.23 0.45 0.44 0.00 -2.00 0.00 0.00 41.25 40.37 3nct s ASN 14 CO -0.13 -0.94 1.71 0.00 -2.94 0.00 0.00 177.10 174.80 3nct h ALA 15 N 2.43 0.98 -0.35 3.54 0.00 -1.88 -1.69 119.26 122.29 3nct h ALA 15 Ca -0.32 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3nct h ALA 15 Cb 1.24 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3nct h ALA 15 CO 0.46 -0.28 -0.05 0.37 0.00 0.00 0.00 179.25 179.76 3nct h GLN 16 N 0.35 0.57 -0.40 0.00 5.75 -1.92 -2.22 115.11 117.23 3nct h GLN 16 Ca 0.40 -0.14 -0.11 0.00 -0.15 0.00 0.00 58.65 58.65 3nct h GLN 16 Cb 0.65 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 3nct h GLN 16 CO -0.45 0.63 -0.20 1.49 -2.65 0.00 0.00 178.83 177.65 3nct h GLU 17 N 0.53 0.78 -0.43 1.69 4.81 -1.74 0.96 114.58 121.19 3nct h GLU 17 Ca 0.11 -0.30 0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3nct h GLU 17 Cb 0.42 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 3nct h GLU 17 CO 0.02 0.92 0.15 1.88 -0.73 0.00 0.00 179.01 181.24 3nct h TYR 18 N 0.69 0.26 -0.29 0.92 0.05 -1.17 -0.82 116.97 116.60 3nct h TYR 18 Ca 0.10 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.78 3nct h TYR 18 Cb 0.70 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 3nct h TYR 18 CO 0.04 0.09 -0.33 0.93 -1.05 0.00 0.00 178.16 177.84 3nct h GLU 19 N 0.31 0.63 -0.70 4.88 4.39 -1.18 -2.50 114.58 120.41 3nct h GLU 19 Ca 0.20 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 3nct h GLU 19 Cb 0.20 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3nct h GLU 19 CO -0.21 0.88 0.31 -0.44 -1.16 0.00 0.00 179.01 178.38 3nct h ASP 20 N 0.54 0.92 -0.20 1.42 3.32 -0.49 0.84 116.42 122.77 3nct h ASP 20 Ca 0.06 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3nct h ASP 20 Cb 0.82 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 3nct h ASP 20 CO 0.07 0.80 -0.14 0.40 -1.72 0.00 0.00 179.24 178.65 3nct h ILE 21 N 1.00 1.32 -0.96 0.35 2.04 -1.04 0.13 117.51 120.34 3nct h ILE 21 Ca 0.24 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.86 3nct h ILE 21 Cb 0.14 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 3nct h ILE 21 CO -0.03 0.38 0.62 0.08 0.00 0.00 0.00 178.15 179.21 3nct h ARG 22 N 0.14 1.28 -0.16 2.37 0.11 -1.24 -2.18 114.38 114.69 3nct h ARG 22 Ca 0.04 -0.09 -0.08 0.00 0.10 0.00 0.00 59.98 59.95 3nct h ARG 22 Cb 0.65 -0.28 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 3nct h ARG 22 CO 0.04 0.86 -0.27 0.00 0.10 0.00 0.00 179.97 180.69 3nct h ALA 23 N 1.38 1.26 -0.34 0.08 0.00 -0.73 -3.11 119.26 117.80 3nct h ALA 23 Ca 0.35 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3nct h ALA 23 Cb -0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3nct h ALA 23 CO -0.07 0.50 0.16 0.00 0.00 0.00 0.00 179.25 179.83 3nct h ALA 24 N 1.46 1.63 0.00 0.00 0.00 -0.30 -3.47 119.26 118.59 3nct h ALA 24 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3nct h ALA 24 Cb 0.62 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3nct h ALA 24 CO 0.04 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.00 3nct n GLY 25 N -1.29 1.84 0.26 0.00 0.00 -1.17 -4.92 105.19 99.90 3nct n GLY 25 Ca 0.02 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 3nct n GLY 25 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3nct h SER 26 N 0.00 0.88 -0.13 1.61 0.87 -1.89 -1.29 113.55 113.60 3nct h SER 26 Ca 0.00 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 3nct h SER 26 Cb 0.00 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3nct h SER 26 CO 0.00 1.02 0.07 0.44 -0.53 0.00 0.00 176.83 177.84 3nct h ASP 27 N 0.72 0.16 -0.67 6.23 3.32 -1.96 -0.99 116.42 123.22 3nct h ASP 27 Ca 0.12 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3nct h ASP 27 Cb 0.63 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 3nct h ASP 27 CO 0.04 0.17 0.42 -0.33 -1.72 0.00 0.00 179.24 177.83 3nct h GLU 28 N 0.12 0.90 -0.35 3.56 3.07 -1.83 -1.93 114.58 118.13 3nct h GLU 28 Ca 0.05 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 3nct h GLU 28 Cb 0.05 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 3nct h GLU 28 CO -0.01 0.62 0.12 -0.09 -1.40 0.00 0.00 179.01 178.25 3nct h ARG 29 N 0.91 0.53 -0.47 2.33 2.43 -1.16 -2.13 114.38 116.82 3nct h ARG 29 Ca 0.24 -0.11 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 3nct h ARG 29 Cb -0.06 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.34 3nct h ARG 29 CO -0.05 0.55 0.09 -0.09 -1.51 0.00 0.00 179.97 178.97 3nct h ARG 30 N 0.41 0.22 -0.71 0.20 2.43 -0.96 0.14 114.38 116.10 3nct h ARG 30 Ca 0.11 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3nct h ARG 30 Cb 0.24 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3nct h ARG 30 CO -0.00 0.14 0.25 0.93 -1.51 0.00 0.00 179.97 179.78 3nct h GLU 31 N 0.23 1.07 -0.45 0.20 4.39 -1.10 0.18 114.58 119.10 3nct h GLU 31 Ca 0.23 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 3nct h GLU 31 Cb 0.31 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3nct h GLU 31 CO -0.31 0.90 0.08 1.25 -1.16 0.00 0.00 179.01 179.76 3nct h LEU 32 N 1.04 0.71 -0.28 1.33 5.85 -0.88 -1.60 115.31 121.49 3nct h LEU 32 Ca 0.23 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3nct h LEU 32 Cb 0.25 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3nct h LEU 32 CO -0.01 0.78 0.18 0.74 -0.34 0.00 0.00 178.44 179.79 3nct h THR 33 N 0.60 1.08 -0.57 1.05 2.02 -0.31 -2.02 112.91 114.76 3nct h THR 33 Ca 0.14 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 3nct h THR 33 Cb 0.37 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3nct h THR 33 CO 0.01 0.08 0.21 0.45 0.37 0.00 0.00 175.52 176.63 3nct h HIS 34 N 0.37 0.85 -0.44 3.16 3.86 -0.89 -3.01 115.15 119.04 3nct h HIS 34 Ca 0.10 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 3nct h HIS 34 Cb -0.02 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 3nct h HIS 34 CO -0.05 0.67 0.07 0.00 0.86 0.00 0.00 177.93 179.48 3nct h ALA 35 N 1.40 0.59 0.00 2.45 0.00 -1.03 0.43 119.26 123.10 3nct h ALA 35 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3nct h ALA 35 Cb 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3nct h ALA 35 CO -0.01 0.31 0.00 0.28 0.00 0.00 0.00 179.25 179.83 3nct n VAL 36 N -4.47 0.00 0.00 0.00 0.31 -0.78 -3.21 118.33 110.17 3nct n VAL 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3nct n VAL 36 Cb 0.24 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 3nct n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3nct n ARG 38 N 0.30 0.00 0.01 5.55 0.63 0.14 -3.46 116.66 119.83 3nct n ARG 38 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 3nct n ARG 38 Cb 0.00 0.00 0.48 0.00 0.45 0.00 0.00 32.46 33.39 3nct n ARG 38 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3nct n GLU 39 N 0.00 0.04 -4.08 -0.14 -0.58 -1.20 -4.92 120.64 109.77 3nct n GLU 39 Ca 0.00 0.02 -0.27 0.00 -0.42 0.00 0.00 57.16 56.49 3nct n GLU 39 Cb 0.00 -1.54 -0.06 0.00 -0.57 0.00 0.00 31.44 29.28 3nct n GLU 39 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3nct s LEU 40 N -3.19 3.78 -0.16 -4.62 1.43 -1.22 -4.68 118.68 110.01 3nct s LEU 40 Ca 0.12 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3nct s LEU 40 Cb 0.18 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.99 3nct s LEU 40 CO 0.59 0.10 -0.18 -1.81 0.23 0.00 0.00 176.35 175.29 3nct s ASP 41 N -2.89 3.41 0.20 2.29 1.01 -1.26 -5.09 116.67 114.34 3nct s ASP 41 Ca 0.30 -0.55 -0.30 0.00 0.71 0.00 0.00 52.55 52.71 3nct s ASP 41 Cb -0.11 -1.52 -0.08 0.00 1.01 0.00 0.00 42.92 42.22 3nct s ASP 41 CO 0.23 0.05 0.97 0.00 0.21 0.00 0.00 175.17 176.63 3nct s ALA 42 N 1.01 3.32 0.89 5.23 0.00 -1.26 -4.74 121.76 126.21 3nct s ALA 42 Ca -0.02 0.64 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 3nct s ALA 42 Cb -0.15 -3.25 0.13 0.00 0.00 0.00 0.00 23.12 19.85 3nct s ALA 42 CO -0.05 0.09 1.12 -2.14 0.00 0.00 0.00 175.76 174.78 3nct s PRO 43 N -0.80 1.24 0.35 0.00 0.02 -1.26 -4.92 135.00 129.63 3nct s PRO 43 Ca 0.44 1.39 -0.28 0.00 0.02 0.00 0.00 61.00 62.56 3nct s PRO 43 Cb -0.26 -1.77 -0.12 0.00 0.02 0.00 0.00 34.50 32.38 3nct s PRO 43 CO 0.32 -2.42 1.41 -0.25 -0.33 0.00 0.00 177.00 175.73 3nct n ASP 44 N -4.08 3.30 -0.94 2.53 9.92 -1.26 -2.27 116.55 123.76 3nct n ASP 44 Ca 0.10 1.21 -0.12 0.00 -0.53 0.00 0.00 54.79 55.45 3nct n ASP 44 Cb 0.53 -1.55 -0.05 0.00 -0.64 0.00 0.00 41.12 39.41 3nct n ASP 44 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3nct n ASN 45 N 0.84 -4.40 -4.38 -2.24 3.02 -1.26 -5.01 115.26 101.82 3nct n ASN 45 Ca 0.04 0.28 -0.26 0.00 -0.03 0.00 0.00 54.58 54.61 3nct n ASN 45 Cb 0.37 -2.99 -0.12 0.00 -0.61 0.00 0.00 39.78 36.43 3nct n ASN 45 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3nct s TRP 46 N -2.45 2.14 0.00 3.10 0.52 -0.96 -2.43 118.94 118.86 3nct s TRP 46 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.73 3nct s TRP 46 Cb 0.00 -1.09 0.00 0.00 -1.15 0.00 0.00 33.47 31.23 3nct s TRP 46 CO 0.00 0.40 0.00 0.25 0.02 0.00 0.00 176.95 177.62 3nct n THR 47 N 0.50 0.00 0.00 2.01 -2.24 -0.03 -4.76 114.28 109.76 3nct n THR 47 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3nct n THR 47 Cb 0.55 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3nct n THR 47 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3nct n ASN 49 N 0.00 0.00 -4.89 3.42 2.85 -0.35 -1.94 115.26 114.35 3nct n ASN 49 Ca 0.00 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.16 3nct n ASN 49 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 3nct n ASN 49 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3nct s GLY 50 N 0.00 2.12 -0.00 8.20 0.00 -1.26 0.02 107.32 116.40 3nct s GLY 50 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 43.53 3nct s GLY 50 CO 0.00 -0.87 1.18 1.85 0.00 0.00 0.00 173.10 175.26 3nct s GLU 51 N -2.53 4.40 -0.18 2.90 2.12 -0.31 -4.92 118.70 120.18 3nct s GLU 51 Ca 0.34 1.69 0.08 0.00 0.36 0.00 0.00 54.97 57.44 3nct s GLU 51 Cb -0.13 -3.46 -0.22 0.00 0.26 0.00 0.00 34.13 30.58 3nct s GLU 51 CO 0.27 -0.33 0.14 0.98 -0.54 0.00 0.00 175.26 175.77 3nct n TYR 52 N 4.55 0.41 0.00 5.30 9.36 -1.26 -4.79 117.16 130.74 3nct n TYR 52 Ca 0.10 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.43 3nct n TYR 52 Cb 0.47 -1.06 0.00 0.00 -0.63 0.00 0.00 39.34 38.11 3nct n TYR 52 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3nct n GLY 53 N 1.92 2.38 0.32 2.98 0.00 -1.26 -4.92 105.19 106.60 3nct n GLY 53 Ca -0.34 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.57 3nct n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3nct n SER 54 N 0.00 1.77 0.29 1.61 3.41 -1.26 -4.55 113.62 114.89 3nct n SER 54 Ca 0.00 -3.01 0.18 0.00 -0.26 0.00 0.00 58.87 55.78 3nct n SER 54 Cb 0.00 -0.40 0.78 0.00 -0.26 0.00 0.00 64.21 64.32 3nct n SER 54 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3nct h GLU 55 N 0.24 0.00 -0.48 4.33 9.09 -1.98 -1.73 114.58 124.06 3nct h GLU 55 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 3nct h GLU 55 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 3nct h GLU 55 CO 0.01 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.26 3nct n PHE 56 N -3.08 1.63 0.00 2.06 3.72 -1.26 -4.95 117.46 115.57 3nct n PHE 56 Ca -0.00 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.64 3nct n PHE 56 Cb 0.27 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 3nct n PHE 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3nct n GLY 57 N 0.32 3.25 2.34 1.37 0.00 -0.65 -4.64 105.19 107.17 3nct n GLY 57 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.23 3nct n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nct n GLY 58 N -1.22 0.63 0.19 -0.02 0.00 -1.26 -4.91 105.19 98.61 3nct n GLY 58 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 46.02 45.72 3nct n GLY 58 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3nct h PHE 59 N 0.00 0.16 -4.37 1.61 0.04 -1.94 -3.44 116.94 109.00 3nct h PHE 59 Ca -0.08 -0.04 -0.63 0.00 2.80 0.00 0.00 57.97 60.02 3nct h PHE 59 Cb 0.48 -0.04 -0.30 0.00 2.20 0.00 0.00 35.95 38.29 3nct h PHE 59 CO 0.25 0.52 -0.86 -0.06 -0.60 0.00 0.00 178.31 177.56 3nct s PHE 60 N -4.15 2.00 0.30 -0.55 0.08 -1.26 -4.64 117.98 109.76 3nct s PHE 60 Ca -0.04 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.63 3nct s PHE 60 Cb 0.14 -1.29 0.65 0.00 -0.57 0.00 0.00 43.02 41.94 3nct s PHE 60 CO 0.75 -0.07 1.81 -1.35 -0.10 0.00 0.00 175.22 176.27 3nct h PRO 61 N 5.71 0.86 -5.16 0.24 0.11 -1.83 -3.37 132.00 128.56 3nct h PRO 61 Ca -0.38 -0.05 -0.60 0.00 0.11 0.00 0.00 66.00 65.07 3nct h PRO 61 Cb 1.14 -0.19 -0.33 0.00 0.11 0.00 0.00 31.00 31.73 3nct h PRO 61 CO 0.48 0.57 -0.85 0.08 -0.21 0.00 0.00 178.00 178.06 3nct s VAL 62 N -5.90 1.64 -0.08 3.15 1.01 -1.26 -4.89 120.40 114.07 3nct s VAL 62 Ca -0.12 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3nct s VAL 62 Cb 0.23 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 35.22 3nct s VAL 62 CO 0.81 0.47 0.04 -1.58 0.00 0.00 0.00 175.10 174.83 3nct s GLN 63 N 0.32 0.21 -0.13 2.72 0.74 -1.26 -1.09 119.66 121.17 3nct s GLN 63 Ca -0.13 0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.47 3nct s GLN 63 Cb -0.15 -0.93 -0.01 0.00 1.10 0.00 0.00 33.01 33.02 3nct s GLN 63 CO 0.05 -0.38 -0.14 0.08 -0.55 0.00 0.00 175.29 174.35 3nct s VAL 64 N 2.08 2.97 -0.10 1.34 1.01 -0.21 -1.16 120.40 126.32 3nct s VAL 64 Ca 0.04 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3nct s VAL 64 Cb -0.13 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3nct s VAL 64 CO -0.05 0.52 0.05 -0.13 0.00 0.00 0.00 175.10 175.50 3nct s ARG 65 N 0.42 3.21 -0.13 2.72 0.52 0.10 -0.23 118.95 125.57 3nct s ARG 65 Ca -0.11 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 54.81 3nct s ARG 65 Cb -0.16 -2.96 0.01 0.00 0.52 0.00 0.00 34.95 32.37 3nct s ARG 65 CO 0.05 0.69 -0.19 -0.06 0.02 0.00 0.00 175.30 175.82 3nct s PHE 66 N -0.83 2.36 -0.05 -0.53 0.08 0.31 -1.22 117.98 118.11 3nct s PHE 66 Ca 0.13 -1.17 -0.00 0.00 0.12 0.00 0.00 56.93 56.01 3nct s PHE 66 Cb -0.12 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 40.71 3nct s PHE 66 CO 0.03 -0.56 -0.01 0.99 -0.10 0.00 0.00 175.22 175.56 3nct s THR 67 N 0.91 0.39 0.64 0.64 2.01 -0.82 -0.91 115.64 118.50 3nct s THR 67 Ca -0.06 0.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.81 3nct s THR 67 Cb -0.15 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.86 3nct s THR 67 CO -0.02 0.23 1.11 -2.16 -0.69 0.00 0.00 174.62 173.09 3nct s PRO 68 N 1.41 2.88 0.52 4.92 0.04 -1.26 -0.85 135.00 142.65 3nct s PRO 68 Ca -0.04 1.43 0.21 0.00 0.04 0.00 0.00 61.00 62.64 3nct s PRO 68 Cb -0.13 -1.96 1.36 0.00 0.04 0.00 0.00 34.50 33.81 3nct s PRO 68 CO -0.03 -1.20 2.12 0.00 0.04 0.00 0.00 177.00 177.94 3nct h ALA 69 N 0.20 1.68 0.00 8.56 0.00 -1.87 -1.04 119.26 126.79 3nct h ALA 69 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3nct h ALA 69 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3nct h ALA 69 CO 0.54 0.09 0.00 1.12 0.00 0.00 0.00 179.25 181.01 3nct h HIS 70 N 0.00 0.00 -2.44 0.00 2.07 -1.92 -3.47 115.15 109.39 3nct h HIS 70 Ca -0.00 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.14 3nct h HIS 70 Cb 0.15 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.06 3nct h HIS 70 CO 0.00 0.00 -0.44 0.39 -3.07 0.00 0.00 177.93 174.81 3nct n GLU 71 N -2.58 -1.67 0.21 5.12 1.02 -0.39 -4.85 120.64 117.50 3nct n GLU 71 Ca 0.03 0.99 0.09 0.00 -0.02 0.00 0.00 57.16 58.24 3nct n GLU 71 Cb 0.33 -5.54 0.41 0.00 -0.02 0.00 0.00 31.44 26.63 3nct n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3nct h ARG 72 N 0.00 0.00 -3.00 3.49 3.08 -1.91 -3.45 114.38 112.59 3nct h ARG 72 Ca -0.43 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.67 3nct h ARG 72 Cb 1.30 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.31 3nct h ARG 72 CO 0.54 0.27 0.24 -0.59 -1.07 0.00 0.00 179.97 179.36 3nct s PHE 73 N -3.62 -0.12 0.18 3.04 -0.12 -1.26 -1.01 117.98 115.08 3nct s PHE 73 Ca 0.01 -0.39 -0.09 0.00 -0.05 0.00 0.00 56.93 56.41 3nct s PHE 73 Cb 0.10 0.74 -0.01 0.00 -0.63 0.00 0.00 43.02 43.22 3nct s PHE 73 CO 0.65 -1.31 0.31 -3.38 -0.05 0.00 0.00 175.22 171.44 3nct s HIS 74 N -3.56 0.45 0.11 3.49 -3.43 -0.23 -4.26 115.29 107.85 3nct s HIS 74 Ca 0.12 -0.80 0.08 0.00 -0.80 0.00 0.00 55.06 53.66 3nct s HIS 74 Cb -0.06 -0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 31.00 3nct s HIS 74 CO 0.08 -0.77 -0.15 -0.51 -2.00 0.00 0.00 174.74 171.39 3nct s LEU 75 N -2.99 2.82 -0.05 5.38 1.02 -0.09 -0.38 118.68 124.38 3nct s LEU 75 Ca 0.20 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 53.88 3nct s LEU 75 Cb 0.03 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.61 3nct s LEU 75 CO 0.03 0.18 -0.07 0.00 0.02 0.00 0.00 176.35 176.51 3nct s ALA 76 N -1.15 0.90 -0.23 4.21 0.00 -0.43 -0.53 121.76 124.53 3nct s ALA 76 Ca 0.19 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.80 3nct s ALA 76 Cb -0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3nct s ALA 76 CO 0.11 0.03 0.40 -1.17 0.00 0.00 0.00 175.76 175.13 3nct s LEU 77 N 0.83 4.11 -0.11 0.00 2.96 0.68 -1.46 118.68 125.70 3nct s LEU 77 Ca -0.12 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 3nct s LEU 77 Cb -0.15 -2.50 0.00 0.00 0.50 0.00 0.00 46.19 44.04 3nct s LEU 77 CO 0.01 -0.13 -0.23 0.00 -1.32 0.00 0.00 176.35 174.69 3nct s SER 79 N 0.49 5.67 0.84 0.00 1.04 -0.25 -1.04 113.70 120.46 3nct s SER 79 Ca -0.15 1.00 -0.12 0.00 0.48 0.00 0.00 55.95 57.16 3nct s SER 79 Cb -0.17 -1.95 0.10 0.00 0.10 0.00 0.00 66.02 64.10 3nct s SER 79 CO 0.05 -1.11 1.19 -2.84 0.98 0.00 0.00 173.24 171.51 3nct s PRO 80 N -5.15 1.48 0.00 4.02 0.02 -1.25 -4.66 135.00 129.45 3nct s PRO 80 Ca 0.55 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.25 3nct s PRO 80 Cb -0.11 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.65 3nct s PRO 80 CO 0.49 -2.32 0.00 0.41 -0.33 0.00 0.00 177.00 175.25 3nct n GLY 81 N 0.36 -0.72 0.28 0.52 0.00 0.52 -4.45 105.19 101.70 3nct n GLY 81 Ca 0.13 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 3nct n GLY 81 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3nct h ASP 82 N 0.00 0.91 -0.07 1.61 3.32 -1.88 -3.30 116.42 117.00 3nct h ASP 82 Ca 0.00 -0.24 -0.24 0.00 0.02 0.00 0.00 57.03 56.57 3nct h ASP 82 Cb 0.00 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.33 3nct h ASP 82 CO 0.00 0.91 -0.89 0.58 -1.72 0.00 0.00 179.24 178.11 3nct h VAL 83 N 0.86 1.28 -3.67 -1.35 2.07 -1.93 -3.45 116.25 110.06 3nct h VAL 83 Ca 0.19 -2.09 -0.28 0.00 0.82 0.00 0.00 66.70 65.33 3nct h VAL 83 Cb 0.36 2.15 -0.30 0.00 -1.52 0.00 0.00 31.29 31.97 3nct h VAL 83 CO 0.00 0.66 -0.73 -0.55 0.02 0.00 0.00 177.57 176.97 3nct s SER 84 N -7.19 0.19 0.15 0.57 0.15 -1.24 -5.02 113.70 101.31 3nct s SER 84 Ca -0.10 -0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.79 3nct s SER 84 Cb 0.08 -0.07 0.93 0.00 -1.71 0.00 0.00 66.02 65.25 3nct s SER 84 CO 0.91 -0.04 1.78 0.00 1.20 0.00 0.00 173.24 177.09 3nct n GLN 85 N 3.50 0.16 -4.36 5.44 1.13 -1.26 -0.36 117.38 121.64 3nct n GLN 85 Ca -0.18 0.20 -0.22 0.00 -1.94 0.00 0.00 57.00 54.85 3nct n GLN 85 Cb 0.56 -1.71 -0.11 0.00 0.11 0.00 0.00 30.24 29.08 3nct n GLN 85 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3nct s VAL 86 N -3.10 1.93 0.22 5.09 -7.23 -1.26 -4.75 120.40 111.29 3nct s VAL 86 Ca 0.10 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.96 3nct s VAL 86 Cb 0.13 -1.94 -0.10 0.00 0.56 0.00 0.00 36.38 35.04 3nct s VAL 86 CO 0.52 -0.33 1.52 0.26 -0.31 0.00 0.00 175.10 176.76 3nct s TRP 87 N -2.14 3.00 -0.05 2.82 0.52 0.03 -3.90 118.94 119.23 3nct s TRP 87 Ca 0.18 0.81 0.07 0.00 0.02 0.00 0.00 56.10 57.17 3nct s TRP 87 Cb -0.05 -3.90 -0.01 0.00 -1.15 0.00 0.00 33.47 28.35 3nct s TRP 87 CO 0.08 -3.14 -0.25 0.14 0.02 0.00 0.00 176.95 173.80 3nct s VAL 88 N 0.52 2.02 -0.23 4.03 -7.23 -0.20 -1.04 120.40 118.26 3nct s VAL 88 Ca 0.65 -1.06 -0.06 0.00 -1.81 0.00 0.00 61.98 59.70 3nct s VAL 88 Cb -0.44 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 3nct s VAL 88 CO 0.38 0.56 0.03 -0.22 -0.31 0.00 0.00 175.10 175.54 3nct s LEU 89 N -0.27 3.25 0.15 1.32 2.96 0.69 -0.41 118.68 126.38 3nct s LEU 89 Ca -0.00 -0.26 0.09 0.00 -0.22 0.00 0.00 54.13 53.74 3nct s LEU 89 Cb -0.13 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3nct s LEU 89 CO 0.02 -0.01 -0.13 0.68 -1.32 0.00 0.00 176.35 175.59 3nct s VAL 90 N 1.46 3.04 -0.15 1.68 -7.23 -0.53 -0.04 120.40 118.63 3nct s VAL 90 Ca 0.05 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 3nct s VAL 90 Cb -0.15 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.33 3nct s VAL 90 CO 0.01 -0.02 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.39 3nct s LEU 91 N -2.55 2.40 -0.20 1.32 0.20 -0.11 -1.32 118.68 118.43 3nct s LEU 91 Ca 0.22 -0.50 0.00 0.00 0.69 0.00 0.00 54.13 54.54 3nct s LEU 91 Cb -0.09 -1.54 0.02 0.00 -0.43 0.00 0.00 46.19 44.15 3nct s LEU 91 CO 0.13 0.08 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.43 3nct s VAL 92 N 0.81 2.33 0.48 1.68 1.01 0.49 -2.08 120.40 125.13 3nct s VAL 92 Ca -0.06 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 3nct s VAL 92 Cb -0.15 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 3nct s VAL 92 CO -0.00 0.47 0.99 0.21 0.00 0.00 0.00 175.10 176.76 3nct s ASN 93 N 1.31 6.60 0.09 3.32 3.04 -0.67 -1.07 114.94 127.56 3nct s ASN 93 Ca 0.04 1.73 -0.35 0.00 0.04 0.00 0.00 52.86 54.31 3nct s ASN 93 Cb -0.14 -2.54 -0.19 0.00 -1.54 0.00 0.00 41.25 36.85 3nct s ASN 93 CO -0.10 -0.60 0.88 0.00 -3.04 0.00 0.00 177.10 174.24 3nct n ALA 94 N -1.10 -3.13 -0.92 1.71 0.00 -0.18 -0.63 120.51 116.27 3nct n ALA 94 Ca 0.08 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3nct n ALA 94 Cb 0.54 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3nct n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nct n GLY 95 N 1.73 0.85 2.19 0.00 0.00 -1.26 -4.09 105.19 104.60 3nct n GLY 95 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3nct n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nct n GLY 96 N -2.25 0.65 3.64 -0.02 0.00 0.20 -4.98 105.19 102.43 3nct n GLY 96 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3nct n GLY 96 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3nct s GLU 97 N -0.04 0.72 0.79 1.61 -6.30 -1.24 -4.38 118.70 109.85 3nct s GLU 97 Ca 0.00 1.12 -0.11 0.00 -2.50 0.00 0.00 54.97 53.48 3nct s GLU 97 Cb 0.00 0.21 0.06 0.00 0.00 0.00 0.00 34.13 34.41 3nct s GLU 97 CO 0.00 -0.13 1.09 -1.25 0.02 0.00 0.00 175.26 174.99 3nct s PRO 98 N 1.25 2.15 -0.00 4.30 0.04 -1.26 -4.71 135.00 136.76 3nct s PRO 98 Ca -0.07 1.01 -0.02 0.00 0.04 0.00 0.00 61.00 61.96 3nct s PRO 98 Cb -0.05 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 3nct s PRO 98 CO -0.14 -1.67 0.03 0.12 0.04 0.00 0.00 177.00 175.38 3nct s PHE 99 N -2.96 0.06 0.01 0.56 5.36 -1.26 -1.67 117.98 118.08 3nct s PHE 99 Ca 0.61 -0.13 -0.29 0.00 -0.96 0.00 0.00 56.93 56.17 3nct s PHE 99 Cb -0.17 -0.06 0.07 0.00 -0.34 0.00 0.00 43.02 42.53 3nct s PHE 99 CO 0.56 -0.11 0.66 0.00 -1.46 0.00 0.00 175.22 174.87 3nct s ALA 100 N -0.65 -1.73 -0.25 11.12 0.00 -0.88 -5.00 121.76 124.37 3nct s ALA 100 Ca -0.07 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 3nct s ALA 100 Cb -0.04 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3nct s ALA 100 CO -0.00 -0.48 1.18 0.08 0.00 0.00 0.00 175.76 176.54 3nct s VAL 101 N -1.89 4.39 -0.46 0.00 1.01 -1.26 -0.93 120.40 121.26 3nct s VAL 101 Ca -0.08 1.64 0.22 0.00 0.00 0.00 0.00 61.98 63.77 3nct s VAL 101 Cb -0.00 -4.21 -0.23 0.00 0.00 0.00 0.00 36.38 31.94 3nct s VAL 101 CO 0.04 -0.31 0.77 1.33 0.00 0.00 0.00 175.10 176.93 3nct n VAL 102 N 5.68 0.08 -3.63 2.92 0.24 0.95 -4.97 118.33 119.60 3nct n VAL 102 Ca 0.13 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 3nct n VAL 102 Cb 0.46 0.30 -0.07 0.00 -1.47 0.00 0.00 33.84 33.07 3nct n VAL 102 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3nct s GLN 103 N -3.29 0.71 0.00 7.34 0.74 -1.13 -4.13 119.66 119.91 3nct s GLN 103 Ca -0.00 0.78 0.06 0.00 0.05 0.00 0.00 55.36 56.26 3nct s GLN 103 Cb 0.14 0.35 -0.02 0.00 1.10 0.00 0.00 33.01 34.58 3nct s GLN 103 CO 0.86 -0.10 -0.20 0.08 -0.55 0.00 0.00 175.29 175.39 3nct s VAL 104 N 0.21 1.57 -0.05 1.34 1.01 -1.26 -0.22 120.40 123.00 3nct s VAL 104 Ca 0.01 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 3nct s VAL 104 Cb -0.05 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 35.04 3nct s VAL 104 CO -0.01 0.35 0.01 -1.10 0.00 0.00 0.00 175.10 174.35 3nct s GLN 105 N -0.70 0.39 0.19 2.72 -0.21 -0.21 -4.99 119.66 116.86 3nct s GLN 105 Ca 0.07 0.13 -0.09 0.00 0.02 0.00 0.00 55.36 55.50 3nct s GLN 105 Cb -0.08 -0.71 0.10 0.00 1.00 0.00 0.00 33.01 33.31 3nct s GLN 105 CO 0.00 -0.23 1.68 0.00 -2.12 0.00 0.00 175.29 174.62 3nct h ARG 106 N 7.91 1.12 -5.40 2.91 3.08 -1.92 0.13 114.38 122.20 3nct h ARG 106 Ca -0.27 -0.31 -0.62 0.00 0.07 0.00 0.00 59.98 58.85 3nct h ARG 106 Cb 1.13 -0.12 -0.32 0.00 0.08 0.00 0.00 29.97 30.73 3nct h ARG 106 CO 0.32 1.03 -0.86 1.03 -1.07 0.00 0.00 179.97 180.43 3nct s ARG 107 N -5.17 2.25 -0.35 0.04 0.52 -1.26 -4.68 118.95 110.30 3nct s ARG 107 Ca -0.12 -0.72 -0.42 0.00 -0.52 0.00 0.00 55.73 53.95 3nct s ARG 107 Cb 0.14 -1.85 -0.17 0.00 0.52 0.00 0.00 34.95 33.59 3nct s ARG 107 CO 0.85 0.24 1.74 0.34 0.02 0.00 0.00 175.30 178.49 3nct n PHE 108 N 3.26 1.95 -3.89 -0.53 7.35 -1.26 -4.92 117.46 119.41 3nct n PHE 108 Ca -0.19 0.69 -0.30 0.00 -0.76 0.00 0.00 57.45 56.89 3nct n PHE 108 Cb 0.53 -2.40 -0.14 0.00 0.35 0.00 0.00 39.48 37.81 3nct n PHE 108 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3nct s ALA 109 N 3.62 2.86 0.19 3.13 0.00 -1.26 -4.71 121.76 125.59 3nct s ALA 109 Ca 1.01 -2.89 -0.10 0.00 0.00 0.00 0.00 51.96 49.98 3nct s ALA 109 Cb -1.19 -2.03 0.12 0.00 0.00 0.00 0.00 23.12 20.03 3nct s ALA 109 CO 0.70 -1.95 1.78 0.66 0.00 0.00 0.00 175.76 176.94 3nct h SER 110 N 6.84 0.93 -0.40 0.00 4.64 -1.91 -2.41 113.55 121.23 3nct h SER 110 Ca -0.06 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.05 3nct h SER 110 Cb 0.93 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3nct h SER 110 CO 0.60 0.81 0.01 -0.33 -0.87 0.00 0.00 176.83 177.05 3nct h GLU 111 N 0.99 0.78 -0.34 4.77 4.39 -1.94 -2.01 114.58 121.22 3nct h GLU 111 Ca 0.24 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 3nct h GLU 111 Cb 0.13 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3nct h GLU 111 CO -0.03 0.78 -0.27 0.00 -1.16 0.00 0.00 179.01 178.33 3nct h ALA 112 N 1.28 0.90 0.16 3.43 0.00 -1.88 -0.84 119.26 122.30 3nct h ALA 112 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3nct h ALA 112 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3nct h ALA 112 CO 0.02 0.62 -0.08 0.28 0.00 0.00 0.00 179.25 180.09 3nct h VAL 113 N 0.60 0.93 -0.96 0.00 2.07 -1.22 -1.88 116.25 115.77 3nct h VAL 113 Ca 0.08 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.28 3nct h VAL 113 Cb 0.77 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 3nct h VAL 113 CO 0.06 0.09 0.63 0.28 0.02 0.00 0.00 177.57 178.65 3nct h SER 114 N -0.39 1.01 -0.31 0.57 0.02 -1.25 -0.74 113.55 112.46 3nct h SER 114 Ca -0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3nct h SER 114 Cb 0.31 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3nct h SER 114 CO 0.04 0.66 0.06 0.45 -1.14 0.00 0.00 176.83 176.89 3nct h HIS 115 N 1.15 0.54 -0.90 3.45 3.86 -1.13 -0.30 115.15 121.83 3nct h HIS 115 Ca 0.40 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.54 3nct h HIS 115 Cb 0.12 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 3nct h HIS 115 CO -0.00 0.59 0.54 0.77 0.86 0.00 0.00 177.93 180.69 3nct h SER 116 N 0.34 1.08 -0.51 2.45 0.02 -0.90 -1.27 113.55 114.76 3nct h SER 116 Ca 0.10 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 3nct h SER 116 Cb 0.33 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3nct h SER 116 CO 0.00 0.83 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.43 3nct h LEU 117 N 1.24 0.90 -1.13 5.07 3.38 -0.96 -1.08 115.31 122.74 3nct h LEU 117 Ca 0.32 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3nct h LEU 117 Cb -0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3nct h LEU 117 CO -0.06 1.00 -0.02 0.00 0.09 0.00 0.00 178.44 179.45 3nct h ALA 118 N 0.94 1.28 -0.28 1.53 0.00 -0.74 -1.16 119.26 120.82 3nct h ALA 118 Ca 0.14 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3nct h ALA 118 Cb 0.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3nct h ALA 118 CO 0.03 0.48 -0.20 1.25 0.00 0.00 0.00 179.25 180.82 3nct h LEU 119 N 0.56 0.66 -0.56 0.00 5.85 -1.07 -0.71 115.31 120.05 3nct h LEU 119 Ca 0.12 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.45 3nct h LEU 119 Cb 0.38 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3nct h LEU 119 CO 0.01 0.96 0.28 0.00 -0.34 0.00 0.00 178.44 179.35 3nct h ALA 120 N 0.72 0.72 -0.73 1.25 0.00 -0.88 0.15 119.26 120.50 3nct h ALA 120 Ca 0.06 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3nct h ALA 120 Cb 0.74 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3nct h ALA 120 CO 0.05 -0.07 0.21 0.00 0.00 0.00 0.00 179.25 179.44 3nct h ALA 121 N 1.31 0.99 0.07 0.00 0.00 -1.12 -1.27 119.26 119.25 3nct h ALA 121 Ca 0.25 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3nct h ALA 121 Cb 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3nct h ALA 121 CO -0.18 0.66 -0.03 1.03 0.00 0.00 0.00 179.25 180.73 3nct h SER 122 N 1.09 -0.08 -0.78 0.00 0.87 -0.69 -2.12 113.55 111.83 3nct h SER 122 Ca 0.23 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3nct h SER 122 Cb 0.33 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 3nct h SER 122 CO -0.00 0.16 0.49 -0.07 -0.53 0.00 0.00 176.83 176.87 3nct h LEU 123 N -0.32 0.92 -0.28 2.23 3.38 -0.89 -1.71 115.31 118.64 3nct h LEU 123 Ca -0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3nct h LEU 123 Cb 0.28 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3nct h LEU 123 CO 0.02 0.69 0.09 -0.78 0.09 0.00 0.00 178.44 178.55 3nct h ASP 124 N 1.07 0.41 -0.48 -0.43 3.58 -1.15 -1.10 116.42 118.33 3nct h ASP 124 Ca 0.28 -0.21 0.02 0.00 0.42 0.00 0.00 57.03 57.54 3nct h ASP 124 Cb -0.07 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 3nct h ASP 124 CO -0.06 0.51 0.29 0.74 -2.88 0.00 0.00 179.24 177.84 3nct h THR 125 N 0.30 1.06 0.00 2.25 2.02 -1.22 -2.19 112.91 115.12 3nct h THR 125 Ca 0.09 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3nct h THR 125 Cb 0.25 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3nct h THR 125 CO -0.00 0.11 0.00 0.00 0.37 0.00 0.00 175.52 175.99 3nct n GLN 126 N -4.81 0.43 -0.95 6.66 6.02 -0.66 -4.84 117.38 119.23 3nct n GLN 126 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3nct n GLN 126 Cb 0.06 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3nct n GLN 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3nct n GLY 127 N -0.12 0.42 3.77 1.08 0.00 -0.82 -5.04 105.19 104.47 3nct n GLY 127 Ca 0.06 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 3nct n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3nct s TYR 128 N -2.00 3.06 0.67 1.61 2.02 -0.45 -5.02 117.35 117.23 3nct s TYR 128 Ca 0.00 1.54 -0.14 0.00 -0.37 0.00 0.00 57.07 58.10 3nct s TYR 128 Cb 0.00 -3.43 0.00 0.00 -0.40 0.00 0.00 41.96 38.13 3nct s TYR 128 CO 0.00 -1.40 1.10 -1.54 -1.57 0.00 0.00 175.55 172.14 3nct s SER 129 N -1.05 5.13 0.24 2.29 1.04 -1.26 -4.69 113.70 115.39 3nct s SER 129 Ca 0.56 1.92 -0.07 0.00 0.48 0.00 0.00 55.95 58.84 3nct s SER 129 Cb -0.32 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.49 3nct s SER 129 CO 0.40 -1.61 1.91 0.58 0.98 0.00 0.00 173.24 175.50 3nct h VAL 130 N -0.15 1.24 -0.86 5.02 2.07 -1.99 0.90 116.25 122.49 3nct h VAL 130 Ca -0.46 -0.44 0.15 0.00 0.82 0.00 0.00 66.70 66.76 3nct h VAL 130 Cb 1.24 -0.13 -0.09 0.00 -1.52 0.00 0.00 31.29 30.78 3nct h VAL 130 CO 0.54 0.23 0.44 0.78 0.02 0.00 0.00 177.57 179.59 3nct h ASN 131 N 1.27 0.54 0.15 0.57 2.35 -1.97 -0.40 115.58 118.08 3nct h ASN 131 Ca 0.34 0.09 -0.21 0.00 -0.55 0.00 0.00 56.30 55.97 3nct h ASN 131 Cb -0.14 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3nct h ASN 131 CO -0.07 0.22 -0.83 0.44 -1.65 0.00 0.00 177.43 175.54 3nct h ASP 132 N 0.63 0.66 -0.43 5.81 3.32 -1.64 -2.71 116.42 122.05 3nct h ASP 132 Ca 0.47 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3nct h ASP 132 Cb 0.67 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3nct h ASP 132 CO -0.37 1.24 0.19 0.40 -1.72 0.00 0.00 179.24 178.99 3nct h ILE 133 N 0.35 1.19 0.12 0.35 2.04 -0.33 -1.32 117.51 119.90 3nct h ILE 133 Ca -0.06 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.27 3nct h ILE 133 Cb 1.44 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 3nct h ILE 133 CO 0.15 0.21 -0.37 0.40 0.00 0.00 0.00 178.15 178.54 3nct h ILE 134 N 0.55 0.24 -0.96 -0.67 2.04 -1.09 0.11 117.51 117.73 3nct h ILE 134 Ca 0.15 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.06 3nct h ILE 134 Cb 0.15 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 3nct h ILE 134 CO -0.02 0.00 0.63 -0.74 0.00 0.00 0.00 178.15 178.02 3nct h HIS 135 N -0.60 1.15 -0.14 1.37 2.76 -1.36 -2.66 115.15 115.68 3nct h HIS 135 Ca 0.03 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 3nct h HIS 135 Cb 0.63 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 29.21 3nct h HIS 135 CO -0.33 0.62 -0.21 0.82 -1.30 0.00 0.00 177.93 177.53 3nct h ILE 136 N 1.15 1.36 0.00 6.26 2.04 -1.01 -2.83 117.51 124.48 3nct h ILE 136 Ca 0.40 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.82 3nct h ILE 136 Cb 0.12 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3nct h ILE 136 CO -0.15 0.43 0.00 0.18 0.00 0.00 0.00 178.15 178.61 3nct n LEU 137 N -4.48 1.13 0.00 1.44 4.77 0.36 -1.10 117.00 119.11 3nct n LEU 137 Ca -0.07 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3nct n LEU 137 Cb 0.42 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3nct n LEU 137 CO 0.41 0.20 0.00 0.00 -1.33 0.00 0.00 177.39 176.67 3nct n ALA 139 N 1.26 0.00 -0.19 -1.18 0.00 -1.07 0.12 120.51 119.46 3nct n ALA 139 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3nct n ALA 139 Cb 0.14 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.79 3nct n ALA 139 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3nct h GLU 140 N 0.00 0.94 -0.00 0.00 4.22 -1.41 -2.91 114.58 115.42 3nct h GLU 140 Ca 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.30 3nct h GLU 140 Cb 0.00 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3nct h GLU 140 CO 0.00 0.75 -0.07 0.41 -2.18 0.00 0.00 179.01 177.91 3nct n GLY 141 N -1.07 -1.15 1.93 1.92 0.00 0.32 -4.93 105.19 102.21 3nct n GLY 141 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3nct n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nct n GLY 142 N 1.31 0.47 0.29 -0.02 0.00 -1.10 -4.55 105.19 101.59 3nct n GLY 142 Ca 0.13 -0.43 0.15 0.00 0.00 0.00 0.00 46.02 45.87 3nct n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26