#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nct n LEU 5 N 0.00 1.49 -4.91 4.31 7.94 -1.26 -5.15 117.00 119.41 3nct n LEU 5 Ca 0.00 -4.98 -0.28 0.00 -1.11 0.00 0.00 56.01 49.63 3nct n LEU 5 Cb 0.00 0.20 0.09 0.00 0.53 0.00 0.00 43.42 44.24 3nct n LEU 5 CO 0.00 2.09 0.76 0.42 -1.11 0.00 0.00 177.39 179.55 3nct s THR 6 N -1.80 2.06 0.19 1.96 -4.23 -1.26 -4.85 115.64 107.71 3nct s THR 6 Ca 0.37 -0.07 -0.13 0.00 -1.18 0.00 0.00 61.69 60.69 3nct s THR 6 Cb 0.18 -3.00 0.11 0.00 1.34 0.00 0.00 72.50 71.14 3nct s THR 6 CO -0.08 0.00 1.70 0.25 -0.54 0.00 0.00 174.62 175.96 3nct h LEU 7 N -1.00 -0.07 -0.91 4.79 5.85 -1.99 -1.41 115.31 120.56 3nct h LEU 7 Ca -0.45 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.48 3nct h LEU 7 Cb 1.32 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.42 3nct h LEU 7 CO 0.62 -0.01 0.54 -1.13 -0.34 0.00 0.00 178.44 178.13 3nct h ASN 8 N 0.19 0.77 -0.28 1.25 -1.24 -1.98 -0.80 115.58 113.49 3nct h ASN 8 Ca 0.25 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.27 3nct h ASN 8 Cb 0.35 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 3nct h ASN 8 CO -0.35 0.41 0.00 0.58 -1.29 0.00 0.00 177.43 176.78 3nct h VAL 9 N 0.86 1.26 -0.67 2.57 2.07 -1.77 -2.42 116.25 118.15 3nct h VAL 9 Ca 0.45 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 67.09 3nct h VAL 9 Cb 0.46 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3nct h VAL 9 CO -0.27 0.30 0.44 -0.07 0.02 0.00 0.00 177.57 177.98 3nct h LEU 10 N 0.29 0.66 -0.13 2.57 3.38 -0.55 -1.01 115.31 120.52 3nct h LEU 10 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3nct h LEU 10 Cb 0.43 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3nct h LEU 10 CO 0.01 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3nct n GLN 11 N -4.47 0.22 -1.86 1.13 6.02 -0.37 -4.61 117.38 113.45 3nct n GLN 11 Ca 0.09 0.24 -0.39 0.00 -0.01 0.00 0.00 57.00 56.92 3nct n GLN 11 Cb 0.16 -1.79 0.04 0.00 1.02 0.00 0.00 30.24 29.68 3nct n GLN 11 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3nct n THR 12 N -2.18 3.56 -4.27 5.09 -1.04 -0.39 -4.70 114.28 110.35 3nct n THR 12 Ca 0.05 -4.13 -0.19 0.00 -2.04 0.00 0.00 64.05 57.75 3nct n THR 12 Cb 0.38 -1.23 -0.08 0.00 -1.82 0.00 0.00 70.33 67.58 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 -1.29 1.59 0.17 8.00 2.20 -1.26 -5.08 114.94 119.26 3nct s ASN 14 Ca 0.54 -1.73 -0.17 0.00 -0.94 0.00 0.00 52.86 50.56 3nct s ASN 14 Cb 0.45 0.56 0.10 0.00 -2.00 0.00 0.00 41.25 40.36 3nct s ASN 14 CO -0.35 -1.07 1.67 0.00 -2.94 0.00 0.00 177.10 174.41 3nct h ALA 15 N 2.15 0.28 -0.77 3.54 0.00 -1.86 -1.50 119.26 121.10 3nct h ALA 15 Ca -0.25 0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3nct h ALA 15 Cb 1.23 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 3nct h ALA 15 CO 0.37 -0.44 0.51 0.37 0.00 0.00 0.00 179.25 180.06 3nct h GLN 16 N 0.02 0.98 0.00 0.00 5.75 -1.91 -1.68 115.11 118.26 3nct h GLN 16 Ca 0.19 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.53 3nct h GLN 16 Cb 0.29 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 3nct h GLN 16 CO -0.40 0.65 -0.50 0.93 -2.65 0.00 0.00 178.83 176.86 3nct h GLU 17 N 1.01 0.00 0.07 1.69 5.08 -1.72 0.16 114.58 120.87 3nct h GLU 17 Ca 0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3nct h GLU 17 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3nct h GLU 17 CO -0.07 0.50 -0.04 1.88 -1.00 0.00 0.00 179.01 180.28 3nct h TYR 18 N 0.00 -0.09 -0.77 4.33 0.05 -0.55 -3.06 116.97 116.88 3nct h TYR 18 Ca -0.00 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.83 3nct h TYR 18 Cb 0.99 0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.71 3nct h TYR 18 CO 0.00 0.17 0.51 0.93 -1.05 0.00 0.00 178.16 178.72 3nct h GLU 19 N -0.35 0.83 -0.84 4.88 4.39 -1.05 -2.60 114.58 119.84 3nct h GLU 19 Ca -0.01 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.65 3nct h GLU 19 Cb 0.31 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 3nct h GLU 19 CO 0.02 0.55 0.55 -0.44 -1.16 0.00 0.00 179.01 178.53 3nct h ASP 20 N 0.85 0.96 -0.11 1.42 3.32 -0.68 -0.01 116.42 122.18 3nct h ASP 20 Ca 0.33 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.15 3nct h ASP 20 Cb 0.20 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.52 3nct h ASP 20 CO -0.11 0.70 -0.70 0.40 -1.72 0.00 0.00 179.24 177.81 3nct h ILE 21 N 1.14 1.32 -1.00 0.35 2.04 -1.37 -1.49 117.51 118.49 3nct h ILE 21 Ca 0.31 -1.96 0.05 0.00 1.00 0.00 0.00 64.86 64.26 3nct h ILE 21 Cb -0.13 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 3nct h ILE 21 CO -0.07 0.61 0.65 -0.09 0.00 0.00 0.00 178.15 179.25 3nct h ARG 22 N 0.34 1.18 0.00 2.37 2.43 -1.24 -2.61 114.38 116.85 3nct h ARG 22 Ca -0.06 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 58.94 3nct h ARG 22 Cb 1.35 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3nct h ARG 22 CO 0.14 0.78 -0.47 0.00 -1.51 0.00 0.00 179.97 178.92 3nct h ALA 23 N 1.43 1.15 0.00 2.80 0.00 -0.86 -3.12 119.26 120.65 3nct h ALA 23 Ca 0.41 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3nct h ALA 23 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3nct h ALA 23 CO -0.15 0.58 -0.31 0.00 0.00 0.00 0.00 179.25 179.37 3nct h ALA 24 N 1.53 1.42 0.00 0.00 0.00 -0.87 -3.48 119.26 117.87 3nct h ALA 24 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3nct h ALA 24 Cb 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3nct h ALA 24 CO 0.06 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.10 3nct n GLY 25 N -0.57 3.22 0.27 0.00 0.00 -1.18 -4.89 105.19 102.04 3nct n GLY 25 Ca -0.02 -1.44 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 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 0.69 -0.06 1.61 0.87 -1.90 -0.95 113.55 113.82 3nct h SER 26 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3nct h SER 26 Cb 0.00 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 3nct h SER 26 CO 0.00 0.48 0.04 -2.24 -0.53 0.00 0.00 176.83 174.57 3nct h ASP 27 N 0.83 0.07 -0.56 6.23 2.03 -1.96 -0.40 116.42 122.65 3nct h ASP 27 Ca 0.28 -0.03 -0.02 0.00 -0.73 0.00 0.00 57.03 56.54 3nct h ASP 27 Cb 0.04 -0.02 -0.03 0.00 -0.83 0.00 0.00 39.33 38.50 3nct h ASP 27 CO -0.12 0.08 0.29 -0.33 -1.03 0.00 0.00 179.24 178.13 3nct h GLU 28 N 0.05 0.80 -0.61 4.15 3.07 -1.78 -2.12 114.58 118.14 3nct h GLU 28 Ca 0.02 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 3nct h GLU 28 Cb 0.02 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 3nct h GLU 28 CO -0.00 0.64 0.27 -0.09 -1.40 0.00 0.00 179.01 178.43 3nct h ARG 29 N 0.76 0.90 -0.53 2.33 2.43 -1.05 -2.13 114.38 117.10 3nct h ARG 29 Ca 0.20 -0.15 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3nct h ARG 29 Cb 0.09 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 3nct h ARG 29 CO -0.03 0.74 0.29 -0.09 -1.51 0.00 0.00 179.97 179.37 3nct h ARG 30 N 0.84 0.56 -0.30 0.20 2.43 -0.75 0.12 114.38 117.49 3nct h ARG 30 Ca 0.21 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 3nct h ARG 30 Cb 0.15 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3nct h ARG 30 CO -0.02 0.37 0.03 0.93 -1.51 0.00 0.00 179.97 179.77 3nct h GLU 31 N 0.58 0.13 -0.38 0.20 5.08 -1.21 0.61 114.58 119.59 3nct h GLU 31 Ca 0.22 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3nct h GLU 31 Cb 0.08 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3nct h GLU 31 CO -0.13 0.08 0.23 1.25 -1.00 0.00 0.00 179.01 179.44 3nct h LEU 32 N 0.13 0.37 -0.56 1.33 5.85 -0.75 0.16 115.31 121.84 3nct h LEU 32 Ca 0.14 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3nct h LEU 32 Cb 0.17 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3nct h LEU 32 CO -0.21 0.27 0.35 0.74 -0.34 0.00 0.00 178.44 179.25 3nct h THR 33 N 0.46 1.10 -0.40 1.05 2.02 -0.53 -1.61 112.91 115.00 3nct h THR 33 Ca 0.15 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 3nct h THR 33 Cb -0.01 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3nct h THR 33 CO -0.06 0.13 -0.13 0.45 0.37 0.00 0.00 175.52 176.27 3nct h HIS 34 N 0.71 0.80 -0.87 3.16 3.86 -0.47 -2.86 115.15 119.49 3nct h HIS 34 Ca 0.22 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3nct h HIS 34 Cb -0.03 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.20 3nct h HIS 34 CO -0.05 0.82 0.48 0.00 0.86 0.00 0.00 177.93 180.04 3nct h ALA 35 N 1.19 1.22 0.00 2.45 0.00 -0.21 -0.70 119.26 123.22 3nct h ALA 35 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3nct h ALA 35 Cb 0.60 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3nct h ALA 35 CO 0.04 0.64 0.00 0.28 0.00 0.00 0.00 179.25 180.21 3nct n VAL 36 N -4.34 0.01 0.00 0.00 0.31 -0.65 -3.54 118.33 110.12 3nct n VAL 36 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3nct n VAL 36 Cb 0.09 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 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 0.36 0.00 0.00 5.55 0.63 -0.27 -3.51 116.66 119.43 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 0.08 -0.05 0.49 0.00 0.45 0.00 0.00 32.46 33.44 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 1.05 -4.28 -0.14 -0.58 -1.23 -4.90 120.64 110.56 3nct n GLU 39 Ca 0.00 -0.55 -0.30 0.00 -0.42 0.00 0.00 57.16 55.89 3nct n GLU 39 Cb 0.00 -1.49 -0.10 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 -2.33 3.04 -0.23 -4.62 1.43 -1.23 -4.65 118.68 110.09 3nct s LEU 40 Ca 0.30 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3nct s LEU 40 Cb 0.20 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.63 3nct s LEU 40 CO 0.45 0.19 -0.11 -1.81 0.23 0.00 0.00 176.35 175.31 3nct s ASP 41 N -2.08 3.99 0.14 2.29 1.01 -1.26 -5.10 116.67 115.67 3nct s ASP 41 Ca 0.21 -0.87 -0.25 0.00 0.71 0.00 0.00 52.55 52.34 3nct s ASP 41 Cb -0.11 -1.60 -0.07 0.00 1.01 0.00 0.00 42.92 42.15 3nct s ASP 41 CO 0.13 -0.10 0.78 0.00 0.21 0.00 0.00 175.17 176.19 3nct s ALA 42 N 1.28 3.43 0.88 5.23 0.00 -1.26 -4.68 121.76 126.64 3nct s ALA 42 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 3nct s ALA 42 Cb -0.16 -2.97 0.12 0.00 0.00 0.00 0.00 23.12 20.11 3nct s ALA 42 CO -0.07 0.24 1.09 -1.25 0.00 0.00 0.00 175.76 175.77 3nct s PRO 43 N -0.90 1.38 0.39 0.00 0.04 -1.26 -4.94 135.00 129.71 3nct s PRO 43 Ca 0.37 0.97 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 3nct s PRO 43 Cb -0.23 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 3nct s PRO 43 CO 0.26 -2.19 1.44 -0.51 0.04 0.00 0.00 177.00 176.03 3nct s ASP 44 N -3.31 6.31 0.00 6.66 -0.00 -1.26 -2.23 116.67 122.84 3nct s ASP 44 Ca 0.63 2.96 0.00 0.00 -0.00 0.00 0.00 52.55 56.14 3nct s ASP 44 Cb -0.18 -2.66 0.00 0.00 -0.00 0.00 0.00 42.92 40.07 3nct s ASP 44 CO 0.57 -0.88 0.00 0.59 -0.00 0.00 0.00 175.17 175.45 3nct n ASN 45 N 0.36 -0.65 -4.90 0.27 4.13 -1.26 -4.99 115.26 108.22 3nct n ASN 45 Ca 0.02 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.97 3nct n ASN 45 Cb 0.40 -1.10 -0.04 0.00 -1.54 0.00 0.00 39.78 37.50 3nct n ASN 45 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3nct s TRP 46 N -2.62 3.48 0.00 3.10 0.52 -0.95 -2.18 118.94 120.29 3nct s TRP 46 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 56.10 56.36 3nct s TRP 46 Cb 0.00 -1.75 0.00 0.00 -1.15 0.00 0.00 33.47 30.57 3nct s TRP 46 CO 0.00 0.58 0.00 0.25 0.02 0.00 0.00 176.95 177.80 3nct n THR 47 N 0.35 0.00 0.00 2.01 -2.24 0.37 -4.80 114.28 109.97 3nct n THR 47 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3nct n THR 47 Cb 0.51 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 -4.90 3.42 3.02 -0.69 -1.71 115.26 114.41 3nct n ASN 49 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 3nct n ASN 49 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 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 1.60 -0.08 7.41 0.00 -1.26 -0.36 107.32 114.62 3nct s GLY 50 Ca 0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 44.72 44.07 3nct s GLY 50 CO 0.00 -0.27 0.59 1.85 0.00 0.00 0.00 173.10 175.27 3nct s GLU 51 N -4.53 4.38 -0.04 2.90 2.12 -0.43 -4.95 118.70 118.16 3nct s GLU 51 Ca 0.48 0.68 0.10 0.00 0.36 0.00 0.00 54.97 56.59 3nct s GLU 51 Cb -0.10 -3.43 -0.16 0.00 0.26 0.00 0.00 34.13 30.70 3nct s GLU 51 CO 0.42 0.13 0.17 0.66 -0.54 0.00 0.00 175.26 176.10 3nct n TYR 52 N 3.64 0.00 0.00 5.30 4.01 -1.26 -4.76 117.16 124.09 3nct n TYR 52 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3nct n TYR 52 Cb 0.51 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3nct n TYR 52 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3nct n GLY 53 N 2.04 2.14 0.39 2.72 0.00 -1.26 -4.93 105.19 106.29 3nct n GLY 53 Ca -0.07 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 1.68 0.28 1.61 3.41 -1.26 -4.62 113.62 114.73 3nct n SER 54 Ca 0.00 -3.01 0.17 0.00 -0.26 0.00 0.00 58.87 55.77 3nct n SER 54 Cb 0.00 -0.40 0.79 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.32 0.00 -0.44 4.33 9.09 -1.97 -0.50 114.58 125.41 3nct h GLU 55 Ca -0.02 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.30 3nct h GLU 55 Cb 1.14 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.19 3nct h GLU 55 CO 0.01 0.04 0.07 1.19 0.05 0.00 0.00 179.01 180.37 3nct n PHE 56 N -3.21 1.52 0.00 2.06 3.72 -1.26 -4.93 117.46 115.35 3nct n PHE 56 Ca -0.01 -1.08 0.00 0.00 -0.05 0.00 0.00 57.45 56.31 3nct n PHE 56 Cb 0.26 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 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 -0.41 2.88 2.18 1.37 0.00 -0.20 -4.60 105.19 106.41 3nct n GLY 57 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.71 0.43 0.18 -0.02 0.00 -1.25 -4.90 105.19 98.92 3nct n GLY 58 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -4.31 1.61 0.04 -1.95 -3.44 116.94 108.89 3nct h PHE 59 Ca -0.01 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.18 3nct h PHE 59 Cb 0.20 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 38.05 3nct h PHE 59 CO 0.12 0.41 -0.85 -0.06 -0.60 0.00 0.00 178.31 177.33 3nct s PHE 60 N -4.10 1.74 0.25 -0.55 0.08 -1.26 -4.65 117.98 109.49 3nct s PHE 60 Ca -0.03 -0.36 -0.03 0.00 0.12 0.00 0.00 56.93 56.64 3nct s PHE 60 Cb 0.14 -1.13 0.47 0.00 -0.57 0.00 0.00 43.02 41.94 3nct s PHE 60 CO 0.73 -0.05 1.78 -1.35 -0.10 0.00 0.00 175.22 176.22 3nct h PRO 61 N 5.75 0.64 -5.46 0.24 0.11 -1.84 -3.35 132.00 128.09 3nct h PRO 61 Ca -0.37 -0.04 -0.68 0.00 0.11 0.00 0.00 66.00 65.02 3nct h PRO 61 Cb 1.15 -0.15 -0.31 0.00 0.11 0.00 0.00 31.00 31.80 3nct h PRO 61 CO 0.48 0.43 -0.86 0.08 -0.21 0.00 0.00 178.00 177.92 3nct s VAL 62 N -6.00 2.26 -0.07 3.15 1.01 -1.26 -4.89 120.40 114.60 3nct s VAL 62 Ca -0.12 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 3nct s VAL 62 Cb 0.21 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.74 3nct s VAL 62 CO 0.78 0.56 -0.03 -1.58 0.00 0.00 0.00 175.10 174.83 3nct s GLN 63 N 0.24 0.83 -0.14 2.72 0.74 -1.26 -1.76 119.66 121.04 3nct s GLN 63 Ca -0.15 -0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.26 3nct s GLN 63 Cb -0.17 -1.01 0.01 0.00 1.10 0.00 0.00 33.01 32.93 3nct s GLN 63 CO 0.07 -0.22 -0.21 0.08 -0.55 0.00 0.00 175.29 174.47 3nct s VAL 64 N 1.54 2.22 -0.02 1.34 1.01 -0.38 -1.31 120.40 124.80 3nct s VAL 64 Ca -0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 3nct s VAL 64 Cb -0.13 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3nct s VAL 64 CO -0.04 0.54 0.10 -0.13 0.00 0.00 0.00 175.10 175.58 3nct s ARG 65 N 0.73 3.18 -0.11 2.72 0.52 0.51 -0.13 118.95 126.37 3nct s ARG 65 Ca -0.09 -0.41 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 3nct s ARG 65 Cb -0.16 -2.94 0.02 0.00 0.52 0.00 0.00 34.95 32.39 3nct s ARG 65 CO 0.00 0.67 -0.12 -0.06 0.02 0.00 0.00 175.30 175.81 3nct s PHE 66 N -1.18 1.78 -0.05 -0.53 0.08 0.56 -1.70 117.98 116.94 3nct s PHE 66 Ca 0.22 -0.86 -0.00 0.00 0.12 0.00 0.00 56.93 56.41 3nct s PHE 66 Cb -0.12 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 41.01 3nct s PHE 66 CO 0.13 -0.49 -0.02 0.99 -0.10 0.00 0.00 175.22 175.72 3nct s THR 67 N 1.26 0.42 0.76 0.64 2.01 -0.69 -0.92 115.64 119.12 3nct s THR 67 Ca -0.02 0.01 -0.13 0.00 0.31 0.00 0.00 61.69 61.86 3nct s THR 67 Cb -0.14 -0.51 0.05 0.00 0.01 0.00 0.00 72.50 71.91 3nct s THR 67 CO -0.05 0.23 1.13 -2.16 -0.69 0.00 0.00 174.62 173.08 3nct s PRO 68 N 1.37 2.16 0.39 4.92 0.04 -1.26 -0.48 135.00 142.14 3nct s PRO 68 Ca -0.04 1.43 0.11 0.00 0.04 0.00 0.00 61.00 62.53 3nct s PRO 68 Cb -0.13 -1.87 0.89 0.00 0.04 0.00 0.00 34.50 33.43 3nct s PRO 68 CO -0.02 -1.75 1.91 0.00 0.04 0.00 0.00 177.00 177.18 3nct h ALA 69 N -0.75 1.91 0.00 8.56 0.00 -1.82 -2.02 119.26 125.14 3nct h ALA 69 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3nct h ALA 69 Cb 1.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3nct h ALA 69 CO 0.50 -0.11 0.00 -2.39 0.00 0.00 0.00 179.25 177.25 3nct n HIS 70 N -4.51 0.49 -1.74 0.00 1.44 -1.26 -4.93 115.22 104.70 3nct n HIS 70 Ca 0.15 0.17 -0.20 0.00 -2.01 0.00 0.00 57.72 55.82 3nct n HIS 70 Cb 0.44 -0.77 -0.07 0.00 0.12 0.00 0.00 29.99 29.70 3nct n HIS 70 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3nct n GLU 71 N -1.92 -1.43 0.20 -1.40 1.02 -0.76 -4.88 120.64 111.47 3nct n GLU 71 Ca 0.04 1.16 0.08 0.00 -0.02 0.00 0.00 57.16 58.42 3nct n GLU 71 Cb 0.29 -5.56 0.35 0.00 -0.02 0.00 0.00 31.44 26.50 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 -3.41 3.49 3.08 -1.92 -3.45 114.38 112.17 3nct h ARG 72 Ca -0.42 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.56 3nct h ARG 72 Cb 1.32 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.32 3nct h ARG 72 CO 0.59 0.29 0.06 -0.59 -1.07 0.00 0.00 179.97 179.25 3nct s PHE 73 N -3.50 0.32 0.17 3.04 -0.12 -1.26 -1.04 117.98 115.58 3nct s PHE 73 Ca 0.01 -0.77 -0.10 0.00 -0.05 0.00 0.00 56.93 56.02 3nct s PHE 73 Cb 0.10 0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 42.92 3nct s PHE 73 CO 0.66 -1.26 0.30 -3.38 -0.05 0.00 0.00 175.22 171.50 3nct s HIS 74 N -3.26 0.35 0.11 3.49 -3.43 -0.70 -4.33 115.29 107.53 3nct s HIS 74 Ca 0.20 -0.72 0.05 0.00 -0.80 0.00 0.00 55.06 53.79 3nct s HIS 74 Cb -0.03 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.06 3nct s HIS 74 CO 0.12 -0.73 0.00 -0.51 -2.00 0.00 0.00 174.74 171.62 3nct s LEU 75 N -2.96 3.44 -0.06 5.38 1.02 -0.10 -0.84 118.68 124.56 3nct s LEU 75 Ca 0.16 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 54.10 3nct s LEU 75 Cb 0.03 -2.16 0.02 0.00 0.02 0.00 0.00 46.19 44.11 3nct s LEU 75 CO -0.00 0.16 -0.03 0.00 0.02 0.00 0.00 176.35 176.50 3nct s ALA 76 N -1.39 0.74 -0.27 4.21 0.00 -0.12 -0.32 121.76 124.60 3nct s ALA 76 Ca 0.26 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.89 3nct s ALA 76 Cb -0.11 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 3nct s ALA 76 CO 0.18 -0.25 0.60 -1.17 0.00 0.00 0.00 175.76 175.13 3nct s LEU 77 N 1.45 4.09 -0.09 0.00 2.96 0.81 -1.49 118.68 126.41 3nct s LEU 77 Ca -0.03 0.56 0.04 0.00 -0.22 0.00 0.00 54.13 54.49 3nct s LEU 77 Cb -0.13 -2.80 -0.00 0.00 0.50 0.00 0.00 46.19 43.76 3nct s LEU 77 CO -0.03 -0.39 -0.23 0.00 -1.32 0.00 0.00 176.35 174.38 3nct s SER 79 N 0.21 5.58 0.69 0.00 1.04 -0.72 -0.76 113.70 119.74 3nct s SER 79 Ca -0.14 0.59 -0.17 0.00 0.48 0.00 0.00 55.95 56.72 3nct s SER 79 Cb -0.17 -1.61 -0.01 0.00 0.10 0.00 0.00 66.02 64.33 3nct s SER 79 CO 0.07 -1.03 0.98 -2.65 0.98 0.00 0.00 173.24 171.59 3nct n PRO 80 N -2.50 0.64 -2.35 4.02 -0.02 -1.25 -4.70 135.00 128.83 3nct n PRO 80 Ca 0.04 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3nct n PRO 80 Cb 0.58 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.15 -0.58 0.35 -1.23 0.00 0.26 -4.51 105.19 100.63 3nct n GLY 81 Ca 0.13 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.47 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 0.88 0.30 1.61 3.32 -1.88 -3.21 116.42 117.44 3nct h ASP 82 Ca 0.00 -0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.71 3nct h ASP 82 Cb 0.00 -0.22 0.03 0.00 0.22 0.00 0.00 39.33 39.36 3nct h ASP 82 CO 0.00 0.63 -1.39 0.58 -1.72 0.00 0.00 179.24 177.34 3nct h VAL 83 N 1.04 1.32 -3.67 -1.35 2.07 -1.93 -3.46 116.25 110.26 3nct h VAL 83 Ca 0.29 -2.71 -0.29 0.00 0.82 0.00 0.00 66.70 64.81 3nct h VAL 83 Cb -0.09 2.95 -0.31 0.00 -1.52 0.00 0.00 31.29 32.32 3nct h VAL 83 CO -0.07 0.81 -0.74 -0.55 0.02 0.00 0.00 177.57 177.05 3nct s SER 84 N -7.48 0.27 0.43 0.57 0.15 -1.21 -5.02 113.70 101.41 3nct s SER 84 Ca -0.08 -0.02 0.24 0.00 0.70 0.00 0.00 55.95 56.78 3nct s SER 84 Cb 0.05 -0.09 0.64 0.00 -1.71 0.00 0.00 66.02 64.91 3nct s SER 84 CO 0.93 -0.03 1.71 1.56 1.20 0.00 0.00 173.24 178.61 3nct h GLN 85 N 6.59 0.00 -6.22 5.44 1.08 -1.90 0.76 115.11 120.87 3nct h GLN 85 Ca -0.33 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.26 3nct h GLN 85 Cb 1.17 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.47 3nct h GLN 85 CO 0.49 0.16 -0.75 0.14 -0.95 0.00 0.00 178.83 177.92 3nct s VAL 86 N -3.36 2.59 0.22 -0.54 -7.23 -1.26 -4.66 120.40 106.16 3nct s VAL 86 Ca 0.04 -2.34 -0.30 0.00 -1.81 0.00 0.00 61.98 57.56 3nct s VAL 86 Cb 0.08 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.56 3nct s VAL 86 CO 0.65 -0.39 1.34 0.26 -0.31 0.00 0.00 175.10 176.65 3nct s TRP 87 N -2.47 3.19 -0.03 2.82 0.52 -0.32 -3.91 118.94 118.73 3nct s TRP 87 Ca 0.30 1.19 0.07 0.00 0.02 0.00 0.00 56.10 57.68 3nct s TRP 87 Cb -0.05 -3.66 -0.02 0.00 -1.15 0.00 0.00 33.47 28.59 3nct s TRP 87 CO 0.15 -2.07 -0.24 0.14 0.02 0.00 0.00 176.95 174.96 3nct s VAL 88 N -0.01 1.91 -0.28 4.03 -7.23 0.06 -1.19 120.40 117.70 3nct s VAL 88 Ca 0.57 -1.02 -0.07 0.00 -1.81 0.00 0.00 61.98 59.64 3nct s VAL 88 Cb -0.38 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 3nct s VAL 88 CO 0.40 0.54 0.08 -0.22 -0.31 0.00 0.00 175.10 175.59 3nct s LEU 89 N -0.43 3.70 0.08 1.32 2.96 -0.09 -0.31 118.68 125.92 3nct s LEU 89 Ca 0.05 -0.51 0.06 0.00 -0.22 0.00 0.00 54.13 53.50 3nct s LEU 89 Cb -0.11 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3nct s LEU 89 CO 0.00 -0.14 -0.06 0.68 -1.32 0.00 0.00 176.35 175.52 3nct s VAL 90 N 1.55 3.67 -0.16 1.68 -7.23 -0.56 -0.13 120.40 119.22 3nct s VAL 90 Ca 0.04 -1.08 -0.00 0.00 -1.81 0.00 0.00 61.98 59.13 3nct s VAL 90 Cb -0.16 -2.71 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 3nct s VAL 90 CO 0.03 0.16 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.62 3nct s LEU 91 N -2.12 2.55 -0.22 1.32 0.20 -0.23 -0.95 118.68 119.24 3nct s LEU 91 Ca 0.22 -0.44 0.02 0.00 0.69 0.00 0.00 54.13 54.62 3nct s LEU 91 Cb -0.11 -1.59 0.04 0.00 -0.43 0.00 0.00 46.19 44.10 3nct s LEU 91 CO 0.15 0.08 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.46 3nct s VAL 92 N 0.84 2.00 0.44 1.68 1.01 -0.02 -2.11 120.40 124.23 3nct s VAL 92 Ca -0.04 -1.28 -0.25 0.00 0.00 0.00 0.00 61.98 60.41 3nct s VAL 92 Cb -0.15 -2.01 -0.08 0.00 0.00 0.00 0.00 36.38 34.13 3nct s VAL 92 CO -0.00 0.18 1.36 0.21 0.00 0.00 0.00 175.10 176.85 3nct s ASN 93 N 1.23 6.04 0.16 3.32 2.47 -0.67 -1.73 114.94 125.76 3nct s ASN 93 Ca -0.03 2.78 -0.34 0.00 0.42 0.00 0.00 52.86 55.69 3nct s ASN 93 Cb -0.17 -2.64 -0.14 0.00 -1.45 0.00 0.00 41.25 36.85 3nct s ASN 93 CO -0.08 -1.05 1.57 0.00 -3.72 0.00 0.00 177.10 173.82 3nct n ALA 94 N -0.11 1.33 0.00 1.71 0.00 -0.21 -0.92 120.51 122.31 3nct n ALA 94 Ca 0.05 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3nct n ALA 94 Cb 0.43 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 3.40 0.54 0.00 0.00 0.00 -1.26 -4.62 105.19 103.25 3nct n GLY 95 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.63 2.94 -0.02 0.00 -0.10 -5.02 105.19 102.62 3nct n GLY 96 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.92 0.09 0.74 1.61 -6.30 -1.26 -4.31 118.70 108.35 3nct s GLU 97 Ca 0.00 0.21 -0.11 0.00 -2.50 0.00 0.00 54.97 52.56 3nct s GLU 97 Cb 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 34.13 34.13 3nct s GLU 97 CO 0.00 -0.07 1.09 -2.14 0.02 0.00 0.00 175.26 174.16 3nct s PRO 98 N 0.46 2.41 -0.06 4.30 0.02 -1.26 -4.73 135.00 136.14 3nct s PRO 98 Ca -0.03 1.20 -0.09 0.00 0.02 0.00 0.00 61.00 62.09 3nct s PRO 98 Cb -0.05 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.58 3nct s PRO 98 CO -0.02 -1.53 0.23 0.12 -0.33 0.00 0.00 177.00 175.48 3nct s PHE 99 N -2.79 -0.19 -0.07 6.54 5.36 -1.26 -1.67 117.98 123.90 3nct s PHE 99 Ca 0.62 0.42 -0.31 0.00 -0.96 0.00 0.00 56.93 56.71 3nct s PHE 99 Cb -0.18 0.06 0.08 0.00 -0.34 0.00 0.00 43.02 42.64 3nct s PHE 99 CO 0.53 -0.21 0.73 0.00 -1.46 0.00 0.00 175.22 174.81 3nct s ALA 100 N -0.44 -1.79 -0.22 11.12 0.00 -0.90 -5.01 121.76 124.52 3nct s ALA 100 Ca -0.05 1.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 3nct s ALA 100 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3nct s ALA 100 CO 0.01 -0.36 1.27 0.08 0.00 0.00 0.00 175.76 176.76 3nct s VAL 101 N -1.13 4.25 -0.15 0.00 1.01 -1.26 -1.06 120.40 122.05 3nct s VAL 101 Ca -0.09 1.48 0.22 0.00 0.00 0.00 0.00 61.98 63.58 3nct s VAL 101 Cb -0.00 -4.07 -0.24 0.00 0.00 0.00 0.00 36.38 32.07 3nct s VAL 101 CO 0.09 -0.26 0.67 1.33 0.00 0.00 0.00 175.10 176.93 3nct n VAL 102 N 5.68 0.16 -3.66 2.92 0.24 0.82 -4.96 118.33 119.53 3nct n VAL 102 Ca 0.14 -0.48 -0.15 0.00 -2.04 0.00 0.00 64.34 61.82 3nct n VAL 102 Cb 0.45 -0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.71 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 -3.44 0.76 -0.05 7.34 0.74 -1.11 -4.25 119.66 119.65 3nct s GLN 103 Ca -0.05 0.48 0.03 0.00 0.05 0.00 0.00 55.36 55.87 3nct s GLN 103 Cb 0.13 0.36 0.01 0.00 1.10 0.00 0.00 33.01 34.61 3nct s GLN 103 CO 0.87 -0.16 -0.14 0.08 -0.55 0.00 0.00 175.29 175.39 3nct s VAL 104 N -0.36 1.23 -0.11 1.34 1.01 -1.26 -0.91 120.40 121.32 3nct s VAL 104 Ca -0.05 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3nct s VAL 104 Cb -0.03 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.28 3nct s VAL 104 CO 0.04 0.37 -0.12 -1.10 0.00 0.00 0.00 175.10 174.28 3nct s GLN 105 N 0.36 1.97 0.37 2.72 -0.21 -0.33 -5.00 119.66 119.53 3nct s GLN 105 Ca -0.09 -0.45 0.12 0.00 0.02 0.00 0.00 55.36 54.96 3nct s GLN 105 Cb -0.13 -1.79 0.70 0.00 1.00 0.00 0.00 33.01 32.78 3nct s GLN 105 CO 0.03 -0.15 1.82 0.07 -2.12 0.00 0.00 175.29 174.93 3nct h ARG 106 N 7.74 0.01 -4.64 2.91 0.11 -1.95 -0.84 114.38 117.72 3nct h ARG 106 Ca -0.33 -0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.38 3nct h ARG 106 Cb 1.15 -0.00 -0.28 0.00 1.11 0.00 0.00 29.97 31.96 3nct h ARG 106 CO 0.47 0.39 -0.77 1.03 0.10 0.00 0.00 179.97 181.19 3nct s ARG 107 N -4.17 0.64 -0.34 0.08 0.52 -1.26 -4.73 118.95 109.69 3nct s ARG 107 Ca -0.03 -0.35 -0.40 0.00 -0.52 0.00 0.00 55.73 54.43 3nct s ARG 107 Cb 0.14 -0.61 -0.15 0.00 0.52 0.00 0.00 34.95 34.86 3nct s ARG 107 CO 0.73 0.16 1.91 0.34 0.02 0.00 0.00 175.30 178.46 3nct n PHE 108 N 2.70 1.80 -3.87 -0.53 7.35 -1.26 -4.92 117.46 118.73 3nct n PHE 108 Ca -0.14 0.53 -0.33 0.00 -0.76 0.00 0.00 57.45 56.75 3nct n PHE 108 Cb 0.57 -2.44 -0.13 0.00 0.35 0.00 0.00 39.48 37.83 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 4.85 3.32 0.13 3.13 0.00 -1.26 -4.78 121.76 127.14 3nct s ALA 109 Ca 1.05 -3.09 -0.19 0.00 0.00 0.00 0.00 51.96 49.73 3nct s ALA 109 Cb -1.10 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3nct s ALA 109 CO 0.63 -1.98 1.73 0.66 0.00 0.00 0.00 175.76 176.80 3nct h SER 110 N 6.97 -0.00 -0.43 0.00 4.64 -1.91 -2.61 113.55 120.22 3nct h SER 110 Ca -0.06 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 3nct h SER 110 Cb 0.94 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 3nct h SER 110 CO 0.67 0.03 0.14 -0.33 -0.87 0.00 0.00 176.83 176.48 3nct h GLU 111 N 0.13 0.72 -0.15 4.77 5.08 -1.94 -2.00 114.58 121.20 3nct h GLU 111 Ca 0.11 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 3nct h GLU 111 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3nct h GLU 111 CO -0.15 0.64 -0.49 0.00 -1.00 0.00 0.00 179.01 178.01 3nct h ALA 112 N 1.45 0.89 0.28 3.43 0.00 -1.94 -1.30 119.26 122.07 3nct h ALA 112 Ca 0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3nct h ALA 112 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3nct h ALA 112 CO -0.01 0.66 -0.13 0.28 0.00 0.00 0.00 179.25 180.05 3nct h VAL 113 N 0.31 0.76 -0.86 0.00 2.07 -1.06 -2.18 116.25 115.30 3nct h VAL 113 Ca 0.02 -0.37 0.10 0.00 0.82 0.00 0.00 66.70 67.27 3nct h VAL 113 Cb 0.97 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 3nct h VAL 113 CO 0.08 0.08 0.51 0.28 0.02 0.00 0.00 177.57 178.54 3nct h SER 114 N -0.57 0.73 -0.47 0.57 0.02 -1.30 -0.23 113.55 112.30 3nct h SER 114 Ca -0.04 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3nct h SER 114 Cb 0.42 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3nct h SER 114 CO 0.06 0.42 0.20 0.45 -1.14 0.00 0.00 176.83 176.82 3nct h HIS 115 N 0.84 0.70 -0.71 3.45 3.86 -1.25 -0.76 115.15 121.29 3nct h HIS 115 Ca 0.42 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.55 3nct h HIS 115 Cb 0.37 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 3nct h HIS 115 CO -0.05 0.58 0.32 0.77 0.86 0.00 0.00 177.93 180.41 3nct h SER 116 N 0.61 0.94 -0.49 2.45 0.02 -0.69 -0.12 113.55 116.26 3nct h SER 116 Ca 0.16 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3nct h SER 116 Cb 0.17 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3nct h SER 116 CO -0.02 0.82 0.24 -0.07 -1.14 0.00 0.00 176.83 176.67 3nct h LEU 117 N 0.99 0.64 -0.53 5.07 3.38 -0.92 0.79 115.31 124.74 3nct h LEU 117 Ca 0.24 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3nct h LEU 117 Cb 0.15 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3nct h LEU 117 CO -0.03 0.59 0.31 0.00 0.09 0.00 0.00 178.44 179.40 3nct h ALA 118 N 1.08 0.68 -0.16 1.53 0.00 -0.88 0.77 119.26 122.28 3nct h ALA 118 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3nct h ALA 118 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3nct h ALA 118 CO -0.02 0.18 0.10 1.25 0.00 0.00 0.00 179.25 180.75 3nct h LEU 119 N 0.71 0.17 -0.60 0.00 5.85 -0.72 -1.07 115.31 119.65 3nct h LEU 119 Ca 0.19 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.99 3nct h LEU 119 Cb 0.02 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 3nct h LEU 119 CO -0.03 0.12 0.25 0.00 -0.34 0.00 0.00 178.44 178.44 3nct h ALA 120 N 1.06 0.78 -0.26 1.25 0.00 -0.45 -0.91 119.26 120.73 3nct h ALA 120 Ca 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3nct h ALA 120 Cb -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3nct h ALA 120 CO -0.02 -0.15 0.14 0.00 0.00 0.00 0.00 179.25 179.22 3nct h ALA 121 N 1.39 0.34 -0.10 0.00 0.00 -0.50 -0.65 119.26 119.73 3nct h ALA 121 Ca 0.29 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3nct h ALA 121 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3nct h ALA 121 CO -0.27 -0.13 -0.64 0.66 0.00 0.00 0.00 179.25 178.87 3nct h SER 122 N 0.31 0.43 -0.62 0.00 4.64 -0.98 -1.26 113.55 116.08 3nct h SER 122 Ca 0.09 -0.26 -0.05 0.00 -0.47 0.00 0.00 61.79 61.11 3nct h SER 122 Cb 0.06 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 3nct h SER 122 CO -0.01 0.96 0.21 -0.07 -0.87 0.00 0.00 176.83 177.04 3nct h LEU 123 N 0.27 0.92 -0.55 5.97 3.38 -1.06 0.10 115.31 124.34 3nct h LEU 123 Ca -0.01 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3nct h LEU 123 Cb 1.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3nct h LEU 123 CO 0.11 0.85 0.04 -0.78 0.09 0.00 0.00 178.44 178.75 3nct h ASP 124 N 0.96 0.92 -0.60 -0.43 3.58 -0.82 -1.62 116.42 118.41 3nct h ASP 124 Ca 0.21 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 3nct h ASP 124 Cb 0.26 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 3nct h ASP 124 CO -0.01 0.98 0.16 0.74 -2.88 0.00 0.00 179.24 178.23 3nct h THR 125 N 0.83 1.25 0.00 2.25 2.02 -1.07 -2.63 112.91 115.56 3nct h THR 125 Ca 0.16 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3nct h THR 125 Cb 0.48 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3nct h THR 125 CO 0.02 0.33 0.00 0.00 0.37 0.00 0.00 175.52 176.24 3nct n GLN 126 N -4.38 0.62 -0.70 6.66 6.02 0.01 -4.87 117.38 120.74 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 0.23 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 0.26 0.58 3.76 1.08 0.00 -0.89 -5.04 105.19 104.93 3nct n GLY 127 Ca 0.15 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 3.45 0.71 1.61 2.02 -0.66 -5.01 117.35 117.46 3nct s TYR 128 Ca 0.00 1.64 -0.16 0.00 -0.37 0.00 0.00 57.07 58.18 3nct s TYR 128 Cb 0.00 -3.35 0.03 0.00 -0.40 0.00 0.00 41.96 38.23 3nct s TYR 128 CO 0.00 -0.82 1.21 -1.54 -1.57 0.00 0.00 175.55 172.83 3nct s SER 129 N -0.85 4.35 0.27 2.29 1.04 -1.26 -4.70 113.70 114.84 3nct s SER 129 Ca 0.46 2.37 -0.03 0.00 0.48 0.00 0.00 55.95 59.23 3nct s SER 129 Cb -0.33 -2.59 0.37 0.00 0.10 0.00 0.00 66.02 63.57 3nct s SER 129 CO 0.42 -2.16 1.91 0.58 0.98 0.00 0.00 173.24 174.98 3nct h VAL 130 N -0.10 1.15 -0.68 5.02 2.07 -1.98 0.13 116.25 121.86 3nct h VAL 130 Ca -0.48 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 66.68 3nct h VAL 130 Cb 1.30 -0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 3nct h VAL 130 CO 0.51 0.22 0.37 -1.13 0.02 0.00 0.00 177.57 177.56 3nct h ASN 131 N 1.23 0.53 -0.38 0.57 -0.73 -1.96 0.10 115.58 114.93 3nct h ASN 131 Ca 0.40 0.04 -0.14 0.00 1.87 0.00 0.00 56.30 58.46 3nct h ASN 131 Cb 0.04 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 3nct h ASN 131 CO -0.13 0.34 -0.30 0.44 -0.37 0.00 0.00 177.43 177.41 3nct h ASP 132 N 0.67 0.95 -0.61 1.15 3.32 -1.53 -2.62 116.42 117.75 3nct h ASP 132 Ca 0.31 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 3nct h ASP 132 Cb 0.23 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3nct h ASP 132 CO -0.20 1.17 0.19 0.40 -1.72 0.00 0.00 179.24 179.08 3nct h ILE 133 N 0.77 1.24 -0.01 0.35 2.04 -0.47 -1.83 117.51 119.60 3nct h ILE 133 Ca 0.08 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.13 3nct h ILE 133 Cb 0.87 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3nct h ILE 133 CO 0.08 0.32 -0.13 0.40 0.00 0.00 0.00 178.15 178.82 3nct h ILE 134 N 0.88 0.68 -0.91 -0.67 2.04 -0.89 0.22 117.51 118.86 3nct h ILE 134 Ca 0.20 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.12 3nct h ILE 134 Cb 0.29 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 3nct h ILE 134 CO -0.01 0.00 0.58 -0.74 0.00 0.00 0.00 178.15 177.98 3nct h HIS 135 N -0.21 1.08 -0.03 1.37 2.76 -1.27 -2.88 115.15 115.97 3nct h HIS 135 Ca 0.05 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3nct h HIS 135 Cb 0.27 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 3nct h HIS 135 CO -0.19 0.56 -0.03 0.82 -1.30 0.00 0.00 177.93 177.79 3nct h ILE 136 N 1.06 1.40 0.00 6.26 2.04 -1.12 -2.46 117.51 124.69 3nct h ILE 136 Ca 0.39 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3nct h ILE 136 Cb 0.15 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3nct h ILE 136 CO -0.17 0.33 0.00 0.18 0.00 0.00 0.00 178.15 178.49 3nct n LEU 137 N -4.79 0.08 0.00 1.44 4.77 0.05 -0.13 117.00 118.42 3nct n LEU 137 Ca -0.08 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3nct n LEU 137 Cb 0.28 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3nct n LEU 137 CO 0.35 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.42 3nct n ALA 139 N 1.12 0.00 -0.15 -1.18 0.00 -0.93 0.14 120.51 119.51 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 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 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 0.73 -0.38 0.00 4.22 -0.81 -3.02 114.58 115.32 3nct h GLU 140 Ca 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.23 3nct h GLU 140 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3nct h GLU 140 CO 0.00 0.78 0.00 0.41 -2.18 0.00 0.00 179.01 178.02 3nct n GLY 141 N -0.44 0.35 2.51 1.92 0.00 0.37 -4.92 105.19 104.99 3nct n GLY 141 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 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 0.58 0.52 0.00 -0.02 0.00 -1.14 -4.56 105.19 100.57 3nct n GLY 142 Ca 0.06 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.07 3nct n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26