#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nct s THR 6 N 0.00 0.00 0.20 -5.08 -4.23 -1.26 -5.00 115.64 100.26 3nct s THR 6 Ca 0.00 -1.79 -0.12 0.00 -1.18 0.00 0.00 61.69 58.60 3nct s THR 6 Cb 0.00 -2.52 0.13 0.00 1.34 0.00 0.00 72.50 71.45 3nct s THR 6 CO 0.00 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.04 3nct h LEU 7 N 2.24 0.02 -0.63 4.79 5.85 -2.00 -1.24 115.31 124.35 3nct h LEU 7 Ca -0.29 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.60 3nct h LEU 7 Cb 1.24 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 3nct h LEU 7 CO 0.41 0.03 0.31 0.78 -0.34 0.00 0.00 178.44 179.63 3nct h ASN 8 N 0.26 0.42 -0.59 1.25 2.35 -1.99 -1.72 115.58 115.56 3nct h ASN 8 Ca 0.27 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3nct h ASN 8 Cb 0.38 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 3nct h ASN 8 CO -0.35 0.26 0.28 0.58 -1.65 0.00 0.00 177.43 176.56 3nct h VAL 9 N 0.56 1.21 -0.35 2.81 2.07 -1.79 -1.47 116.25 119.29 3nct h VAL 9 Ca 0.29 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3nct h VAL 9 Cb 0.26 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3nct h VAL 9 CO -0.22 0.24 0.07 -0.07 0.02 0.00 0.00 177.57 177.60 3nct h LEU 10 N 0.80 0.48 -0.36 2.57 3.38 -0.70 -2.18 115.31 119.30 3nct h LEU 10 Ca 0.20 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 3nct h LEU 10 Cb 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3nct h LEU 10 CO -0.03 0.50 -0.76 1.56 0.09 0.00 0.00 178.44 179.81 3nct h GLN 11 N 0.51 0.00 -2.32 1.13 4.20 -1.10 -3.42 115.11 114.12 3nct h GLN 11 Ca 0.12 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.55 3nct h GLN 11 Cb 0.23 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 3nct h GLN 11 CO -0.00 0.76 0.60 2.41 -0.67 0.00 0.00 178.83 181.93 3nct n THR 12 N -3.52 3.02 -4.28 -0.54 -1.04 -0.57 -4.76 114.28 102.60 3nct n THR 12 Ca -0.00 -1.60 -0.18 0.00 -2.04 0.00 0.00 64.05 60.22 3nct n THR 12 Cb 0.77 -2.09 -0.08 0.00 -1.82 0.00 0.00 70.33 67.10 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 2.16 1.46 0.21 8.00 2.20 -1.26 -5.10 114.94 122.61 3nct s ASN 14 Ca 0.62 -1.70 -0.11 0.00 -0.94 0.00 0.00 52.86 50.73 3nct s ASN 14 Cb 0.26 0.52 0.28 0.00 -2.00 0.00 0.00 41.25 40.31 3nct s ASN 14 CO -0.01 -1.02 1.67 0.00 -2.94 0.00 0.00 177.10 174.79 3nct h ALA 15 N 2.21 0.58 -0.94 3.54 0.00 -1.88 -1.95 119.26 120.82 3nct h ALA 15 Ca -0.27 0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3nct h ALA 15 Cb 1.24 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 3nct h ALA 15 CO 0.40 -0.39 0.61 0.37 0.00 0.00 0.00 179.25 180.24 3nct h GLN 16 N 0.12 1.25 -0.62 0.00 5.75 -1.92 -2.35 115.11 117.34 3nct h GLN 16 Ca 0.31 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.65 3nct h GLN 16 Cb 0.49 -0.28 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 3nct h GLN 16 CO -0.51 0.84 0.11 0.93 -2.65 0.00 0.00 178.83 177.55 3nct h GLU 17 N 1.28 0.99 -0.47 1.69 4.39 -1.79 0.03 114.58 120.70 3nct h GLU 17 Ca 0.34 -0.25 0.07 0.00 0.34 0.00 0.00 59.36 59.87 3nct h GLU 17 Cb -0.12 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.34 3nct h GLU 17 CO -0.07 0.91 0.13 1.88 -1.16 0.00 0.00 179.01 180.70 3nct h TYR 18 N 0.94 0.22 -0.58 4.33 0.05 -1.00 -1.88 116.97 119.05 3nct h TYR 18 Ca 0.19 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.91 3nct h TYR 18 Cb 0.39 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3nct h TYR 18 CO 0.03 0.04 0.01 0.93 -1.05 0.00 0.00 178.16 178.12 3nct h GLU 19 N 0.28 0.99 -0.78 4.88 4.39 -1.05 -2.51 114.58 120.78 3nct h GLU 19 Ca 0.23 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 3nct h GLU 19 Cb 0.28 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 3nct h GLU 19 CO -0.27 0.96 0.38 -0.44 -1.16 0.00 0.00 179.01 178.48 3nct h ASP 20 N 0.91 1.01 -0.45 1.42 3.32 -0.72 0.16 116.42 122.08 3nct h ASP 20 Ca 0.17 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 3nct h ASP 20 Cb 0.51 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3nct h ASP 20 CO 0.03 0.85 -0.12 0.40 -1.72 0.00 0.00 179.24 178.67 3nct h ILE 21 N 1.11 1.27 -0.66 0.35 2.04 -1.26 -0.51 117.51 119.85 3nct h ILE 21 Ca 0.27 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3nct h ILE 21 Cb 0.11 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3nct h ILE 21 CO -0.03 0.43 0.43 -0.09 0.00 0.00 0.00 178.15 178.88 3nct h ARG 22 N 0.71 0.87 0.00 2.37 2.43 -1.15 -2.56 114.38 117.04 3nct h ARG 22 Ca 0.11 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3nct h ARG 22 Cb 0.67 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3nct h ARG 22 CO 0.05 0.58 -0.19 0.00 -1.51 0.00 0.00 179.97 178.90 3nct h ALA 23 N 1.23 1.18 0.00 2.80 0.00 -0.50 -2.85 119.26 121.13 3nct h ALA 23 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3nct h ALA 23 Cb -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3nct h ALA 23 CO -0.05 0.24 -0.18 0.00 0.00 0.00 0.00 179.25 179.26 3nct h ALA 24 N 1.81 1.14 0.00 0.00 0.00 -0.66 -3.48 119.26 118.07 3nct h ALA 24 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3nct h ALA 24 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3nct h ALA 24 CO 0.02 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.91 3nct n GLY 25 N -0.25 2.67 0.23 0.00 0.00 -1.08 -4.89 105.19 101.88 3nct n GLY 25 Ca -0.01 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 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 0.65 -0.33 1.61 0.87 -1.90 -1.33 113.55 113.11 3nct h SER 26 Ca 0.00 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 3nct h SER 26 Cb 0.00 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3nct h SER 26 CO 0.00 0.49 0.01 0.44 -0.53 0.00 0.00 176.83 177.24 3nct h ASP 27 N 0.75 0.57 -0.58 6.23 3.32 -1.96 -1.49 116.42 123.27 3nct h ASP 27 Ca 0.20 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3nct h ASP 27 Cb -0.06 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3nct h ASP 27 CO -0.04 0.73 0.29 -0.33 -1.72 0.00 0.00 179.24 178.17 3nct h GLU 28 N 0.39 0.82 -0.62 3.56 3.07 -1.83 -2.27 114.58 117.71 3nct h GLU 28 Ca 0.10 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 3nct h GLU 28 Cb 0.43 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 3nct h GLU 28 CO 0.02 0.66 0.16 -0.09 -1.40 0.00 0.00 179.01 178.35 3nct h ARG 29 N 0.78 0.99 -0.76 2.33 2.43 -1.19 -2.30 114.38 116.65 3nct h ARG 29 Ca 0.20 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3nct h ARG 29 Cb 0.09 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3nct h ARG 29 CO -0.03 0.89 0.27 -0.09 -1.51 0.00 0.00 179.97 179.50 3nct h ARG 30 N 0.90 1.16 -0.62 0.20 2.43 -1.12 0.22 114.38 117.55 3nct h ARG 30 Ca 0.20 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3nct h ARG 30 Cb 0.34 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3nct h ARG 30 CO 0.00 0.96 0.26 0.93 -1.51 0.00 0.00 179.97 180.62 3nct h GLU 31 N 1.12 0.91 -0.17 0.20 4.39 -1.26 0.48 114.58 120.25 3nct h GLU 31 Ca 0.25 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 3nct h GLU 31 Cb 0.26 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3nct h GLU 31 CO -0.01 0.76 0.10 1.25 -1.16 0.00 0.00 179.01 179.95 3nct h LEU 32 N 0.85 0.21 -0.52 1.33 5.85 -0.92 -0.52 115.31 121.59 3nct h LEU 32 Ca 0.21 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3nct h LEU 32 Cb 0.18 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3nct h LEU 32 CO -0.02 0.20 0.27 0.74 -0.34 0.00 0.00 178.44 179.29 3nct h THR 33 N 0.20 0.96 -0.14 1.05 2.02 -0.79 -1.84 112.91 114.37 3nct h THR 33 Ca 0.06 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.98 3nct h THR 33 Cb 0.03 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3nct h THR 33 CO -0.01 0.09 -0.29 0.45 0.37 0.00 0.00 175.52 176.13 3nct h HIS 34 N 0.52 0.29 -0.27 3.16 3.86 -0.74 -2.88 115.15 119.09 3nct h HIS 34 Ca 0.23 -0.06 -0.13 0.00 -1.16 0.00 0.00 60.37 59.25 3nct h HIS 34 Cb 0.13 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 3nct h HIS 34 CO -0.10 0.54 -0.36 0.00 0.86 0.00 0.00 177.93 178.86 3nct h ALA 35 N 1.47 0.87 0.00 2.45 0.00 -0.63 -0.86 119.26 122.55 3nct h ALA 35 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3nct h ALA 35 Cb 0.64 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3nct h ALA 35 CO 0.05 0.64 0.00 0.28 0.00 0.00 0.00 179.25 180.21 3nct n VAL 36 N -4.05 0.00 0.00 0.00 0.31 -0.74 -3.61 118.33 110.25 3nct n VAL 36 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3nct n VAL 36 Cb 0.50 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 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 0.32 0.00 0.00 5.55 0.63 -0.33 -3.57 116.66 119.26 3nct n ARG 38 Ca 0.00 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.07 3nct n ARG 38 Cb 0.06 0.00 0.49 0.00 0.45 0.00 0.00 32.46 33.45 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 1.36 -4.33 -0.14 -0.58 -1.24 -4.91 120.64 110.80 3nct n GLU 39 Ca 0.00 -0.77 -0.27 0.00 -0.42 0.00 0.00 57.16 55.70 3nct n GLU 39 Cb 0.00 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.29 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 -2.17 2.81 -0.16 -4.62 1.43 -1.23 -4.63 118.68 110.10 3nct s LEU 40 Ca 0.34 -0.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3nct s LEU 40 Cb 0.20 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.93 3nct s LEU 40 CO 0.40 0.11 -0.20 -1.81 0.23 0.00 0.00 176.35 175.07 3nct s ASP 41 N -2.80 3.16 0.25 2.29 1.01 -1.26 -5.10 116.67 114.22 3nct s ASP 41 Ca 0.24 -0.62 -0.30 0.00 0.71 0.00 0.00 52.55 52.58 3nct s ASP 41 Cb -0.08 -1.47 -0.09 0.00 1.01 0.00 0.00 42.92 42.28 3nct s ASP 41 CO 0.14 0.04 1.06 0.00 0.21 0.00 0.00 175.17 176.62 3nct s ALA 42 N 1.05 3.38 0.79 5.23 0.00 -1.26 -4.77 121.76 126.18 3nct s ALA 42 Ca -0.01 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 3nct s ALA 42 Cb -0.14 -3.30 0.06 0.00 0.00 0.00 0.00 23.12 19.73 3nct s ALA 42 CO -0.07 -0.08 1.08 -2.30 0.00 0.00 0.00 175.76 174.38 3nct n PRO 43 N 1.48 0.26 -1.68 0.00 -0.02 -1.26 -4.91 135.00 128.88 3nct n PRO 43 Ca -0.01 0.16 -0.45 0.00 -2.02 0.00 0.00 63.50 61.19 3nct n PRO 43 Cb 0.46 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3nct n PRO 43 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3nct n ASP 44 N -2.64 2.84 -1.03 2.55 8.00 -1.26 -1.77 116.55 123.25 3nct n ASP 44 Ca 0.13 1.14 -0.13 0.00 0.71 0.00 0.00 54.79 56.64 3nct n ASP 44 Cb 0.50 -1.44 -0.06 0.00 -0.02 0.00 0.00 41.12 40.10 3nct n ASP 44 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3nct n ASN 45 N 2.16 -4.73 -4.53 -2.24 3.02 -1.26 -5.01 115.26 102.68 3nct n ASN 45 Ca 0.11 0.33 -0.29 0.00 -0.03 0.00 0.00 54.58 54.71 3nct n ASN 45 Cb 0.32 -3.41 -0.11 0.00 -0.61 0.00 0.00 39.78 35.98 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 -2.46 2.60 0.00 3.10 0.52 -0.73 -2.39 118.94 119.58 3nct s TRP 46 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 56.10 55.89 3nct s TRP 46 Cb 0.00 -1.35 0.00 0.00 -1.15 0.00 0.00 33.47 30.97 3nct s TRP 46 CO 0.00 0.42 0.00 0.25 0.02 0.00 0.00 176.95 177.64 3nct n THR 47 N 0.62 0.00 0.00 2.01 -2.24 -0.15 -4.75 114.28 109.77 3nct n THR 47 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3nct n THR 47 Cb 0.53 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 3nct n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3nct n ASN 49 N 0.00 0.00 -4.91 3.42 3.02 -0.48 -1.67 115.26 114.64 3nct n ASN 49 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 3nct n ASN 49 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3nct n ASN 49 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3nct s GLY 50 N 0.00 2.16 0.02 7.41 0.00 -1.26 -0.06 107.32 115.58 3nct s GLY 50 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.74 3nct s GLY 50 CO 0.00 -0.62 1.24 1.85 0.00 0.00 0.00 173.10 175.56 3nct s GLU 51 N -2.72 4.38 -0.16 2.90 2.12 0.08 -4.92 118.70 120.39 3nct s GLU 51 Ca 0.39 1.78 -0.05 0.00 0.36 0.00 0.00 54.97 57.45 3nct s GLU 51 Cb -0.12 -3.43 -0.23 0.00 0.26 0.00 0.00 34.13 30.61 3nct s GLU 51 CO 0.26 -0.36 0.18 0.98 -0.54 0.00 0.00 175.26 175.78 3nct n TYR 52 N 4.47 0.88 0.00 5.30 9.36 -1.26 -4.80 117.16 131.11 3nct n TYR 52 Ca 0.10 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.52 3nct n TYR 52 Cb 0.46 -1.11 0.00 0.00 -0.63 0.00 0.00 39.34 38.05 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 2.03 2.00 0.08 2.98 0.00 -1.26 -4.93 105.19 106.09 3nct n GLY 53 Ca -0.36 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 1.78 0.30 1.61 3.41 -1.26 -4.54 113.62 114.92 3nct n SER 54 Ca 0.00 -2.40 0.18 0.00 -0.26 0.00 0.00 58.87 56.39 3nct n SER 54 Cb 0.00 -0.21 0.92 0.00 -0.26 0.00 0.00 64.21 64.66 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 0.00 0.00 -0.49 4.33 9.09 -1.98 -0.08 114.58 125.46 3nct h GLU 55 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3nct h GLU 55 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.96 3nct h GLU 55 CO 0.00 0.04 0.00 1.19 0.05 0.00 0.00 179.01 180.29 3nct n PHE 56 N -3.34 1.48 0.00 2.06 3.72 -1.26 -4.95 117.46 115.17 3nct n PHE 56 Ca -0.02 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 3nct n PHE 56 Cb 0.18 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 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 0.42 2.82 2.56 1.37 0.00 -0.04 -4.65 105.19 107.67 3nct n GLY 57 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.79 0.23 0.23 -0.02 0.00 -1.25 -4.90 105.19 98.68 3nct n GLY 58 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.21 -4.20 1.61 0.04 -1.95 -3.44 116.94 109.21 3nct h PHE 59 Ca 0.00 -0.03 -0.66 0.00 2.80 0.00 0.00 57.97 60.08 3nct h PHE 59 Cb 0.54 -0.06 -0.31 0.00 2.20 0.00 0.00 35.95 38.33 3nct h PHE 59 CO 0.34 0.39 -0.87 -0.06 -0.60 0.00 0.00 178.31 177.51 3nct s PHE 60 N -4.59 2.21 0.28 -0.55 0.08 -1.26 -4.65 117.98 109.51 3nct s PHE 60 Ca -0.05 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.46 3nct s PHE 60 Cb 0.15 -1.44 0.69 0.00 -0.57 0.00 0.00 43.02 41.85 3nct s PHE 60 CO 0.73 -0.14 1.69 -1.35 -0.10 0.00 0.00 175.22 176.06 3nct h PRO 61 N 5.89 0.36 -5.17 0.24 0.11 -1.83 -3.37 132.00 128.24 3nct h PRO 61 Ca -0.36 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.14 3nct h PRO 61 Cb 1.16 -0.08 -0.32 0.00 0.11 0.00 0.00 31.00 31.86 3nct h PRO 61 CO 0.47 0.24 -0.85 0.08 -0.21 0.00 0.00 178.00 177.74 3nct s VAL 62 N -5.91 1.57 -0.06 3.15 1.01 -1.26 -4.89 120.40 114.01 3nct s VAL 62 Ca -0.12 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 3nct s VAL 62 Cb 0.25 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 35.29 3nct s VAL 62 CO 0.78 0.45 0.05 -1.58 0.00 0.00 0.00 175.10 174.80 3nct s GLN 63 N 0.28 0.07 -0.15 2.72 0.74 -1.26 -0.89 119.66 121.17 3nct s GLN 63 Ca -0.11 0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.60 3nct s GLN 63 Cb -0.15 -0.72 0.01 0.00 1.10 0.00 0.00 33.01 33.25 3nct s GLN 63 CO 0.05 -0.36 -0.19 0.08 -0.55 0.00 0.00 175.29 174.32 3nct s VAL 64 N 2.13 2.31 -0.05 1.34 1.01 -0.29 -0.74 120.40 126.10 3nct s VAL 64 Ca 0.05 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 3nct s VAL 64 Cb -0.12 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3nct s VAL 64 CO -0.04 0.53 0.18 -0.13 0.00 0.00 0.00 175.10 175.64 3nct s ARG 65 N 0.92 3.46 -0.11 2.72 0.52 0.91 -0.26 118.95 127.11 3nct s ARG 65 Ca -0.04 -0.21 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 3nct s ARG 65 Cb -0.15 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.20 3nct s ARG 65 CO -0.03 0.72 -0.15 -0.06 0.02 0.00 0.00 175.30 175.79 3nct s PHE 66 N -1.20 1.99 -0.05 -0.53 0.40 0.28 -1.39 117.98 117.48 3nct s PHE 66 Ca 0.22 -0.95 -0.01 0.00 -0.60 0.00 0.00 56.93 55.59 3nct s PHE 66 Cb -0.12 -1.44 0.03 0.00 0.51 0.00 0.00 43.02 41.99 3nct s PHE 66 CO 0.12 -0.49 0.01 0.99 0.70 0.00 0.00 175.22 176.55 3nct s THR 67 N 1.04 0.22 0.72 0.64 2.01 -0.67 -1.22 115.64 118.38 3nct s THR 67 Ca -0.05 0.18 -0.14 0.00 0.31 0.00 0.00 61.69 61.99 3nct s THR 67 Cb -0.15 -0.38 0.03 0.00 0.01 0.00 0.00 72.50 72.02 3nct s THR 67 CO -0.02 0.21 1.14 -2.16 -0.69 0.00 0.00 174.62 173.10 3nct s PRO 68 N 1.76 2.34 0.45 4.92 0.04 -1.26 -0.97 135.00 142.28 3nct s PRO 68 Ca 0.01 1.51 0.11 0.00 0.04 0.00 0.00 61.00 62.67 3nct s PRO 68 Cb -0.13 -1.88 1.02 0.00 0.04 0.00 0.00 34.50 33.55 3nct s PRO 68 CO -0.04 -1.63 2.08 0.00 0.04 0.00 0.00 177.00 177.46 3nct h ALA 69 N -0.39 1.80 0.00 8.56 0.00 -1.87 -1.55 119.26 125.82 3nct h ALA 69 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3nct h ALA 69 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3nct h ALA 69 CO 0.51 0.17 0.00 1.12 0.00 0.00 0.00 179.25 181.05 3nct h HIS 70 N 0.28 0.00 -2.11 0.00 2.07 -1.92 -3.47 115.15 110.00 3nct h HIS 70 Ca 0.07 0.00 -0.42 0.00 -2.85 0.00 0.00 60.37 57.17 3nct h HIS 70 Cb 0.02 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 29.92 3nct h HIS 70 CO 0.00 0.00 -0.47 0.39 -3.07 0.00 0.00 177.93 174.78 3nct n GLU 71 N -2.37 -1.57 0.26 5.12 1.02 -0.59 -4.85 120.64 117.66 3nct n GLU 71 Ca 0.03 1.10 0.15 0.00 -0.02 0.00 0.00 57.16 58.43 3nct n GLU 71 Cb 0.33 -5.64 0.52 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 -2.72 3.49 3.08 -1.92 -3.45 114.38 112.86 3nct h ARG 72 Ca -0.46 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.70 3nct h ARG 72 Cb 1.36 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.35 3nct h ARG 72 CO 0.60 0.02 0.34 -0.59 -1.07 0.00 0.00 179.97 179.27 3nct s PHE 73 N -3.53 -0.16 0.18 3.04 -0.12 -1.26 -1.35 117.98 114.78 3nct s PHE 73 Ca 0.03 -0.23 -0.09 0.00 -0.05 0.00 0.00 56.93 56.59 3nct s PHE 73 Cb 0.08 0.68 -0.01 0.00 -0.63 0.00 0.00 43.02 43.14 3nct s PHE 73 CO 0.59 -1.07 0.31 -3.38 -0.05 0.00 0.00 175.22 171.62 3nct s HIS 74 N -3.65 0.47 0.18 3.49 -3.43 -0.42 -4.29 115.29 107.63 3nct s HIS 74 Ca 0.12 -0.81 0.08 0.00 -0.80 0.00 0.00 55.06 53.65 3nct s HIS 74 Cb -0.04 -0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 31.01 3nct s HIS 74 CO 0.05 -0.76 -0.07 -0.51 -2.00 0.00 0.00 174.74 171.45 3nct s LEU 75 N -3.00 3.08 -0.03 5.38 1.43 -0.35 -0.49 118.68 124.70 3nct s LEU 75 Ca 0.20 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3nct s LEU 75 Cb 0.03 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.52 3nct s LEU 75 CO 0.03 0.10 -0.00 0.00 0.23 0.00 0.00 176.35 176.71 3nct s ALA 76 N -1.70 0.39 -0.22 4.21 0.00 -0.53 -0.56 121.76 123.35 3nct s ALA 76 Ca 0.26 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.17 3nct s ALA 76 Cb -0.09 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3nct s ALA 76 CO 0.16 -0.10 0.42 -1.17 0.00 0.00 0.00 175.76 175.07 3nct s LEU 77 N 1.10 4.12 -0.10 0.00 2.96 0.65 -1.28 118.68 126.13 3nct s LEU 77 Ca -0.09 0.50 0.04 0.00 -0.22 0.00 0.00 54.13 54.36 3nct s LEU 77 Cb -0.14 -2.54 -0.00 0.00 0.50 0.00 0.00 46.19 44.02 3nct s LEU 77 CO -0.02 -0.13 -0.23 0.00 -1.32 0.00 0.00 176.35 174.65 3nct s SER 79 N 0.37 5.73 0.89 0.00 1.04 -0.06 -1.62 113.70 120.05 3nct s SER 79 Ca -0.18 1.33 -0.12 0.00 0.48 0.00 0.00 55.95 57.47 3nct s SER 79 Cb -0.18 -2.25 0.10 0.00 0.10 0.00 0.00 66.02 63.80 3nct s SER 79 CO 0.08 -1.18 0.99 -2.65 0.98 0.00 0.00 173.24 171.46 3nct n PRO 80 N -2.93 -0.24 -0.49 4.02 -0.02 -1.25 -4.66 135.00 129.42 3nct n PRO 80 Ca 0.07 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3nct n PRO 80 Cb 0.55 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3nct n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nct n GLY 81 N 0.64 -0.58 0.32 -1.23 0.00 0.09 -4.44 105.19 99.98 3nct n GLY 81 Ca 0.11 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 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 0.80 0.14 1.61 3.32 -1.88 -3.24 116.42 117.17 3nct h ASP 82 Ca 0.00 -0.11 -0.25 0.00 0.02 0.00 0.00 57.03 56.69 3nct h ASP 82 Cb 0.00 -0.20 0.03 0.00 0.22 0.00 0.00 39.33 39.37 3nct h ASP 82 CO 0.00 0.72 -1.07 0.58 -1.72 0.00 0.00 179.24 177.74 3nct h VAL 83 N 0.86 1.38 -3.71 -1.35 2.07 -1.93 -3.46 116.25 110.10 3nct h VAL 83 Ca 0.20 -2.49 -0.36 0.00 0.82 0.00 0.00 66.70 64.87 3nct h VAL 83 Cb 0.18 2.93 -0.31 0.00 -1.52 0.00 0.00 31.29 32.56 3nct h VAL 83 CO -0.02 0.73 -0.76 -0.55 0.02 0.00 0.00 177.57 176.99 3nct s SER 84 N -7.23 0.74 0.20 0.57 0.15 -1.22 -5.02 113.70 101.89 3nct s SER 84 Ca -0.11 -0.10 0.24 0.00 0.70 0.00 0.00 55.95 56.67 3nct s SER 84 Cb 0.03 -0.22 0.91 0.00 -1.71 0.00 0.00 66.02 65.03 3nct s SER 84 CO 0.89 0.01 1.73 0.00 1.20 0.00 0.00 173.24 177.06 3nct n GLN 85 N 3.47 0.19 -4.28 5.44 1.13 -1.26 -0.73 117.38 121.33 3nct n GLN 85 Ca -0.19 0.31 -0.17 0.00 -1.94 0.00 0.00 57.00 55.00 3nct n GLN 85 Cb 0.54 -1.79 -0.11 0.00 0.11 0.00 0.00 30.24 29.00 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 -3.19 1.42 0.24 5.09 -7.23 -1.26 -4.73 120.40 110.75 3nct s VAL 86 Ca 0.07 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.00 3nct s VAL 86 Cb 0.11 -1.77 -0.10 0.00 0.56 0.00 0.00 36.38 35.19 3nct s VAL 86 CO 0.46 -0.54 1.39 0.26 -0.31 0.00 0.00 175.10 176.36 3nct s TRP 87 N -2.66 3.09 -0.05 2.82 0.52 0.43 -3.94 118.94 119.15 3nct s TRP 87 Ca 0.15 1.12 0.04 0.00 0.02 0.00 0.00 56.10 57.42 3nct s TRP 87 Cb -0.02 -3.74 -0.00 0.00 -1.15 0.00 0.00 33.47 28.56 3nct s TRP 87 CO 0.04 -2.37 -0.17 0.14 0.02 0.00 0.00 176.95 174.61 3nct s VAL 88 N -0.07 1.45 -0.27 4.03 -7.23 -0.64 -0.84 120.40 116.84 3nct s VAL 88 Ca 0.58 -0.72 -0.08 0.00 -1.81 0.00 0.00 61.98 59.95 3nct s VAL 88 Cb -0.40 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 3nct s VAL 88 CO 0.43 0.42 0.10 -0.22 -0.31 0.00 0.00 175.10 175.52 3nct s LEU 89 N 0.11 3.68 0.15 1.32 2.96 0.73 -0.90 118.68 126.73 3nct s LEU 89 Ca -0.06 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 3nct s LEU 89 Cb -0.12 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3nct s LEU 89 CO 0.03 -0.08 -0.06 0.68 -1.32 0.00 0.00 176.35 175.60 3nct s VAL 90 N 1.63 3.44 -0.14 1.68 -7.23 -0.40 -0.37 120.40 119.01 3nct s VAL 90 Ca 0.06 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 3nct s VAL 90 Cb -0.16 -2.68 -0.00 0.00 0.56 0.00 0.00 36.38 34.10 3nct s VAL 90 CO 0.05 -0.04 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.41 3nct s LEU 91 N -2.67 2.40 -0.23 1.32 0.20 0.28 -1.46 118.68 118.52 3nct s LEU 91 Ca 0.25 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.61 3nct s LEU 91 Cb -0.10 -1.53 0.05 0.00 -0.43 0.00 0.00 46.19 44.18 3nct s LEU 91 CO 0.16 0.11 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.50 3nct s VAL 92 N 0.67 2.04 0.55 1.68 1.01 0.36 -2.19 120.40 124.52 3nct s VAL 92 Ca -0.08 -1.33 -0.18 0.00 0.00 0.00 0.00 61.98 60.39 3nct s VAL 92 Cb -0.16 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 3nct s VAL 92 CO 0.02 0.17 1.05 0.21 0.00 0.00 0.00 175.10 176.55 3nct s ASN 93 N 1.21 6.02 0.18 3.32 2.47 -0.76 -1.30 114.94 126.08 3nct s ASN 93 Ca -0.04 1.87 -0.32 0.00 0.42 0.00 0.00 52.86 54.79 3nct s ASN 93 Cb -0.17 -2.54 -0.16 0.00 -1.45 0.00 0.00 41.25 36.92 3nct s ASN 93 CO -0.08 -1.00 0.96 0.00 -3.72 0.00 0.00 177.10 173.26 3nct n ALA 94 N -1.58 -1.57 -0.73 1.71 0.00 -0.45 -0.87 120.51 117.03 3nct n ALA 94 Ca 0.09 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3nct n ALA 94 Cb 0.53 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 1.80 1.06 2.32 0.00 0.00 -1.26 -4.09 105.19 105.02 3nct n GLY 95 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.80 3.46 -0.02 0.00 -0.05 -4.98 105.19 102.40 3nct n GLY 96 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.11 0.60 0.78 1.61 -6.30 -1.25 -4.37 118.70 109.66 3nct s GLU 97 Ca 0.00 0.91 -0.11 0.00 -2.50 0.00 0.00 54.97 53.28 3nct s GLU 97 Cb 0.00 0.18 0.06 0.00 0.00 0.00 0.00 34.13 34.37 3nct s GLU 97 CO 0.00 -0.12 1.09 -1.25 0.02 0.00 0.00 175.26 175.00 3nct s PRO 98 N 0.98 2.20 -0.02 4.30 0.04 -1.26 -4.71 135.00 136.52 3nct s PRO 98 Ca -0.05 1.19 -0.04 0.00 0.04 0.00 0.00 61.00 62.14 3nct s PRO 98 Cb -0.05 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3nct s PRO 98 CO -0.09 -1.69 0.09 0.12 0.04 0.00 0.00 177.00 175.47 3nct s PHE 99 N -2.88 -0.02 -0.05 0.56 5.36 -1.26 -1.83 117.98 117.85 3nct s PHE 99 Ca 0.61 0.06 -0.30 0.00 -0.96 0.00 0.00 56.93 56.34 3nct s PHE 99 Cb -0.17 -0.02 0.08 0.00 -0.34 0.00 0.00 43.02 42.57 3nct s PHE 99 CO 0.56 -0.13 0.71 0.00 -1.46 0.00 0.00 175.22 174.90 3nct s ALA 100 N -0.52 -1.78 -0.33 11.12 0.00 -0.93 -4.99 121.76 124.33 3nct s ALA 100 Ca -0.06 1.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 3nct s ALA 100 Cb -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3nct s ALA 100 CO 0.00 -0.40 1.13 0.08 0.00 0.00 0.00 175.76 176.58 3nct s VAL 101 N -1.39 4.40 -0.36 0.00 1.01 -1.26 -0.56 120.40 122.24 3nct s VAL 101 Ca -0.09 1.60 0.22 0.00 0.00 0.00 0.00 61.98 63.71 3nct s VAL 101 Cb -0.00 -4.37 -0.25 0.00 0.00 0.00 0.00 36.38 31.76 3nct s VAL 101 CO 0.07 -0.52 0.71 1.33 0.00 0.00 0.00 175.10 176.70 3nct n VAL 102 N 6.01 0.08 -3.65 2.92 0.24 0.50 -4.96 118.33 119.47 3nct n VAL 102 Ca 0.13 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 3nct n VAL 102 Cb 0.47 0.23 -0.08 0.00 -1.47 0.00 0.00 33.84 33.00 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 -3.34 0.76 -0.03 7.34 0.74 -1.14 -4.25 119.66 119.75 3nct s GLN 103 Ca -0.02 0.79 0.04 0.00 0.05 0.00 0.00 55.36 56.22 3nct s GLN 103 Cb 0.14 0.37 -0.00 0.00 1.10 0.00 0.00 33.01 34.62 3nct s GLN 103 CO 0.87 -0.11 -0.16 0.08 -0.55 0.00 0.00 175.29 175.42 3nct s VAL 104 N 0.15 1.33 -0.07 1.34 1.01 -1.26 -0.19 120.40 122.70 3nct s VAL 104 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3nct s VAL 104 Cb -0.04 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.23 3nct s VAL 104 CO 0.02 0.38 -0.05 -1.10 0.00 0.00 0.00 175.10 174.35 3nct s GLN 105 N -0.05 1.05 0.22 2.72 -0.21 -0.02 -4.98 119.66 118.40 3nct s GLN 105 Ca -0.01 -0.12 -0.09 0.00 0.02 0.00 0.00 55.36 55.16 3nct s GLN 105 Cb -0.10 -1.13 0.18 0.00 1.00 0.00 0.00 33.01 32.96 3nct s GLN 105 CO 0.01 -0.17 1.85 -0.09 -2.12 0.00 0.00 175.29 174.77 3nct h ARG 106 N 7.72 1.14 -5.51 2.91 9.65 -1.92 0.12 114.38 128.48 3nct h ARG 106 Ca -0.30 -0.12 -0.54 0.00 -1.10 0.00 0.00 59.98 57.93 3nct h ARG 106 Cb 1.14 -0.23 -0.30 0.00 -1.39 0.00 0.00 29.97 29.20 3nct h ARG 106 CO 0.40 0.81 -0.83 1.03 2.80 0.00 0.00 179.97 184.18 3nct s ARG 107 N -5.92 1.44 -0.31 0.20 0.52 -1.26 -4.66 118.95 108.96 3nct s ARG 107 Ca -0.13 -0.59 -0.38 0.00 -0.52 0.00 0.00 55.73 54.11 3nct s ARG 107 Cb 0.16 -1.36 -0.14 0.00 0.52 0.00 0.00 34.95 34.13 3nct s ARG 107 CO 0.81 0.33 1.97 0.34 0.02 0.00 0.00 175.30 178.77 3nct n PHE 108 N 2.78 1.82 -3.81 -0.53 7.35 -1.26 -4.91 117.46 118.89 3nct n PHE 108 Ca -0.15 0.41 -0.34 0.00 -0.76 0.00 0.00 57.45 56.61 3nct n PHE 108 Cb 0.54 -2.49 -0.11 0.00 0.35 0.00 0.00 39.48 37.76 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 5.34 3.49 0.14 3.13 0.00 -1.26 -4.79 121.76 127.81 3nct s ALA 109 Ca 1.04 -3.30 -0.18 0.00 0.00 0.00 0.00 51.96 49.53 3nct s ALA 109 Cb -0.99 -2.46 0.02 0.00 0.00 0.00 0.00 23.12 19.69 3nct s ALA 109 CO 0.58 -2.08 1.75 0.66 0.00 0.00 0.00 175.76 176.68 3nct h SER 110 N 6.75 0.13 -0.55 0.00 4.64 -1.91 -2.42 113.55 120.19 3nct h SER 110 Ca -0.04 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 3nct h SER 110 Cb 0.92 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 3nct h SER 110 CO 0.70 0.11 0.01 -0.08 -0.87 0.00 0.00 176.83 176.71 3nct h GLU 111 N 0.24 0.96 -0.95 4.77 4.57 -1.94 -1.54 114.58 120.70 3nct h GLU 111 Ca 0.13 -0.30 0.05 0.00 -1.18 0.00 0.00 59.36 58.06 3nct h GLU 111 Cb 0.09 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 3nct h GLU 111 CO -0.13 0.96 0.61 0.00 -1.18 0.00 0.00 179.01 179.27 3nct h ALA 112 N 0.96 1.28 0.07 2.92 0.00 -1.95 -0.70 119.26 121.84 3nct h ALA 112 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3nct h ALA 112 Cb 0.52 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3nct h ALA 112 CO 0.03 0.45 -0.03 0.28 0.00 0.00 0.00 179.25 179.97 3nct h VAL 113 N 1.16 0.99 -0.68 0.00 2.07 -0.89 -1.64 116.25 117.26 3nct h VAL 113 Ca 0.39 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.76 3nct h VAL 113 Cb 0.07 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3nct h VAL 113 CO -0.14 0.05 0.45 0.28 0.02 0.00 0.00 177.57 178.23 3nct h SER 114 N -0.19 0.67 -0.28 0.57 0.02 -1.01 -1.43 113.55 111.91 3nct h SER 114 Ca -0.01 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 3nct h SER 114 Cb 0.16 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3nct h SER 114 CO 0.02 0.46 -0.34 0.45 -1.14 0.00 0.00 176.83 176.28 3nct h HIS 115 N 0.78 0.88 -0.97 3.45 3.86 -0.98 -0.99 115.15 121.18 3nct h HIS 115 Ca 0.28 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3nct h HIS 115 Cb 0.13 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.37 3nct h HIS 115 CO -0.00 1.04 0.60 0.77 0.86 0.00 0.00 177.93 181.20 3nct h SER 116 N 0.46 1.15 -0.37 2.45 0.02 -0.91 -1.54 113.55 114.82 3nct h SER 116 Ca 0.04 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 3nct h SER 116 Cb 0.92 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 3nct h SER 116 CO 0.08 0.87 0.11 -0.07 -1.14 0.00 0.00 176.83 176.68 3nct h LEU 117 N 1.33 0.55 -1.11 5.07 3.38 -1.14 -0.56 115.31 122.84 3nct h LEU 117 Ca 0.35 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3nct h LEU 117 Cb -0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3nct h LEU 117 CO -0.07 0.62 0.31 0.00 0.09 0.00 0.00 178.44 179.39 3nct h ALA 118 N 0.95 1.30 -0.37 1.53 0.00 -0.96 -0.20 119.26 121.51 3nct h ALA 118 Ca 0.12 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3nct h ALA 118 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3nct h ALA 118 CO -0.00 0.54 -0.24 1.25 0.00 0.00 0.00 179.25 180.80 3nct h LEU 119 N 0.93 0.85 -0.16 0.00 5.85 -1.16 -0.19 115.31 121.43 3nct h LEU 119 Ca 0.23 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.53 3nct h LEU 119 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3nct h LEU 119 CO -0.03 1.09 0.07 0.00 -0.34 0.00 0.00 178.44 179.23 3nct h ALA 120 N 0.78 0.18 -0.96 1.25 0.00 -0.62 0.39 119.26 120.27 3nct h ALA 120 Ca 0.08 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3nct h ALA 120 Cb 0.80 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3nct h ALA 120 CO 0.07 -0.36 0.63 0.00 0.00 0.00 0.00 179.25 179.58 3nct h ALA 121 N 1.09 1.28 0.02 0.00 0.00 -0.98 -0.99 119.26 119.67 3nct h ALA 121 Ca 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3nct h ALA 121 Cb 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3nct h ALA 121 CO -0.05 0.51 -0.01 1.03 0.00 0.00 0.00 179.25 180.73 3nct h SER 122 N 1.22 -0.02 -0.94 0.00 0.87 -0.60 -1.92 113.55 112.16 3nct h SER 122 Ca 0.38 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3nct h SER 122 Cb 0.00 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 3nct h SER 122 CO -0.12 0.24 0.60 -0.07 -0.53 0.00 0.00 176.83 176.95 3nct h LEU 123 N -0.29 1.09 -0.85 2.23 3.38 -0.76 -0.93 115.31 119.19 3nct h LEU 123 Ca -0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3nct h LEU 123 Cb 0.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3nct h LEU 123 CO 0.00 0.81 0.28 -0.78 0.09 0.00 0.00 178.44 178.84 3nct h ASP 124 N 1.28 1.05 -0.42 -0.43 3.58 -1.15 -1.50 116.42 118.83 3nct h ASP 124 Ca 0.34 -0.17 -0.11 0.00 0.42 0.00 0.00 57.03 57.51 3nct h ASP 124 Cb -0.12 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.64 3nct h ASP 124 CO -0.07 0.94 -0.16 0.74 -2.88 0.00 0.00 179.24 177.82 3nct h THR 125 N 1.10 1.27 0.00 2.25 2.02 -0.80 -2.76 112.91 115.99 3nct h THR 125 Ca 0.25 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 66.15 3nct h THR 125 Cb 0.24 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3nct h THR 125 CO -0.02 0.44 0.00 0.00 0.37 0.00 0.00 175.52 176.31 3nct n GLN 126 N -4.13 0.53 -0.31 6.66 6.02 -0.40 -4.90 117.38 120.85 3nct n GLN 126 Ca 0.01 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3nct n GLN 126 Cb 0.41 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.17 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 0.60 0.81 3.78 1.08 0.00 -0.90 -5.07 105.19 105.48 3nct n GLY 127 Ca 0.14 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 3.35 0.76 1.61 2.02 -0.62 -5.02 117.35 117.45 3nct s TYR 128 Ca 0.00 1.66 -0.11 0.00 -0.37 0.00 0.00 57.07 58.25 3nct s TYR 128 Cb 0.00 -3.16 0.05 0.00 -0.40 0.00 0.00 41.96 38.45 3nct s TYR 128 CO 0.00 -0.58 1.08 -1.54 -1.57 0.00 0.00 175.55 172.94 3nct s SER 129 N -1.41 4.71 0.20 2.29 1.04 -1.26 -4.63 113.70 114.64 3nct s SER 129 Ca 0.54 1.65 -0.10 0.00 0.48 0.00 0.00 55.95 58.52 3nct s SER 129 Cb -0.24 -2.41 0.15 0.00 0.10 0.00 0.00 66.02 63.61 3nct s SER 129 CO 0.31 -1.88 1.86 0.58 0.98 0.00 0.00 173.24 175.08 3nct h VAL 130 N -1.02 1.20 -0.64 5.02 2.07 -1.98 0.51 116.25 121.41 3nct h VAL 130 Ca -0.45 -0.42 0.12 0.00 0.82 0.00 0.00 66.70 66.76 3nct h VAL 130 Cb 1.23 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 3nct h VAL 130 CO 0.55 0.21 0.19 0.78 0.02 0.00 0.00 177.57 179.31 3nct h ASN 131 N 1.01 0.11 -0.49 0.57 2.35 -1.97 0.18 115.58 117.33 3nct h ASN 131 Ca 0.27 0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.99 3nct h ASN 131 Cb -0.06 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3nct h ASN 131 CO -0.05 0.05 -0.19 0.44 -1.65 0.00 0.00 177.43 176.03 3nct h ASP 132 N 0.33 1.02 -0.29 5.81 3.32 -1.75 -1.81 116.42 123.06 3nct h ASP 132 Ca 0.34 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3nct h ASP 132 Cb 0.49 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3nct h ASP 132 CO -0.39 1.18 0.13 0.40 -1.72 0.00 0.00 179.24 178.85 3nct h ILE 133 N 0.86 1.16 -0.10 0.35 2.04 -0.41 -0.75 117.51 120.67 3nct h ILE 133 Ca 0.12 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3nct h ILE 133 Cb 0.77 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 3nct h ILE 133 CO 0.06 0.16 -0.29 0.40 0.00 0.00 0.00 178.15 178.49 3nct h ILE 134 N 0.33 0.34 -0.87 -0.67 2.04 -0.58 0.58 117.51 118.67 3nct h ILE 134 Ca 0.10 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.98 3nct h ILE 134 Cb 0.14 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 3nct h ILE 134 CO -0.01 0.00 0.57 -0.74 0.00 0.00 0.00 178.15 177.96 3nct h HIS 135 N -0.38 1.07 -0.09 1.37 2.76 -1.04 -2.77 115.15 116.07 3nct h HIS 135 Ca 0.09 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 3nct h HIS 135 Cb 0.51 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 3nct h HIS 135 CO -0.37 0.63 -0.06 0.82 -1.30 0.00 0.00 177.93 177.65 3nct h ILE 136 N 1.12 1.35 0.00 6.26 2.04 -0.96 -2.76 117.51 124.55 3nct h ILE 136 Ca 0.34 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3nct h ILE 136 Cb -0.04 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3nct h ILE 136 CO -0.10 0.32 0.00 0.18 0.00 0.00 0.00 178.15 178.55 3nct n LEU 137 N -4.71 0.65 0.00 1.44 4.77 0.18 -0.90 117.00 118.43 3nct n LEU 137 Ca -0.07 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3nct n LEU 137 Cb 0.29 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3nct n LEU 137 CO 0.36 0.12 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 3nct n ALA 139 N 1.27 0.00 -0.12 -1.18 0.00 -1.04 0.14 120.51 119.58 3nct n ALA 139 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3nct n ALA 139 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 0.60 0.00 0.00 4.22 -1.32 -3.16 114.58 114.92 3nct h GLU 140 Ca 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 59.36 59.27 3nct h GLU 140 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3nct h GLU 140 CO 0.00 0.69 0.00 0.41 -2.18 0.00 0.00 179.01 177.93 3nct n GLY 141 N -0.44 -0.96 1.81 1.92 0.00 0.38 -4.90 105.19 103.00 3nct n GLY 141 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.86 0.61 0.13 -0.02 0.00 -1.19 -4.57 105.19 101.01 3nct n GLY 142 Ca 0.20 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 3nct n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26