#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1neh s ALA 2 N 0.00 2.83 0.80 -0.43 0.00 -1.26 -5.03 121.76 118.67 1neh s ALA 2 Ca 0.00 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 1neh s ALA 2 Cb 0.00 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.76 1neh s ALA 2 CO 0.00 -0.91 1.11 -1.25 0.00 0.00 0.00 175.76 174.71 1neh s PRO 3 N -2.93 2.09 0.29 0.00 0.04 -1.26 -4.92 135.00 128.30 1neh s PRO 3 Ca 0.69 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.19 1neh s PRO 3 Cb -0.31 -1.93 0.42 0.00 0.04 0.00 0.00 34.50 32.73 1neh s PRO 3 CO 0.36 -1.58 1.93 0.00 0.04 0.00 0.00 177.00 177.75 1neh h ALA 4 N -1.05 1.41 -0.56 8.56 0.00 -2.01 -0.27 119.26 125.34 1neh h ALA 4 Ca -0.47 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.19 1neh h ALA 4 Cb 1.28 -0.33 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 1neh h ALA 4 CO 0.62 0.51 0.26 0.27 0.00 0.00 0.00 179.25 180.90 1neh n ASN 5 N -4.44 3.82 -4.74 0.00 6.94 -1.26 -4.95 115.26 110.63 1neh n ASN 5 Ca 0.12 -2.91 -0.42 0.00 -0.02 0.00 0.00 54.58 51.35 1neh n ASN 5 Cb 0.09 -0.69 -0.01 0.00 -2.36 0.00 0.00 39.78 36.81 1neh n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1neh n ALA 6 N -0.19 2.07 -1.94 -2.53 0.00 -0.11 -0.23 120.51 117.58 1neh n ALA 6 Ca 0.32 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.69 1neh n ALA 6 Cb 1.14 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 1neh n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1neh s VAL 7 N -0.67 3.44 0.42 0.00 1.01 0.91 -4.77 120.40 120.74 1neh s VAL 7 Ca 0.58 0.50 -0.23 0.00 0.00 0.00 0.00 61.98 62.83 1neh s VAL 7 Cb -0.52 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1neh s VAL 7 CO 0.57 -0.18 1.06 0.00 0.00 0.00 0.00 175.10 176.56 1neh s ALA 8 N 5.59 3.04 0.59 5.51 0.00 -1.26 -4.89 121.76 130.33 1neh s ALA 8 Ca 0.80 0.71 0.28 0.00 0.00 0.00 0.00 51.96 53.76 1neh s ALA 8 Cb -0.30 -3.28 1.57 0.00 0.00 0.00 0.00 23.12 21.10 1neh s ALA 8 CO 0.32 -0.28 2.01 0.00 0.00 0.00 0.00 175.76 177.81 1neh h ALA 9 N 2.31 1.99 -0.02 0.00 0.00 -1.94 -1.16 119.26 120.45 1neh h ALA 9 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1neh h ALA 9 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1neh h ALA 9 CO 0.62 -0.48 -0.17 -3.47 0.00 0.00 0.00 179.25 175.74 1neh n ASP 10 N -3.79 1.80 -4.75 0.00 2.03 -1.26 -4.46 116.55 106.11 1neh n ASP 10 Ca 0.05 -1.44 -0.41 0.00 0.52 0.00 0.00 54.79 53.51 1neh n ASP 10 Cb 0.48 0.14 -0.01 0.00 -0.72 0.00 0.00 41.12 41.00 1neh n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1neh s ASP 11 N -2.24 6.41 0.26 1.67 -1.08 -0.44 -4.81 116.67 116.43 1neh s ASP 11 Ca 0.28 2.93 -0.02 0.00 -0.52 0.00 0.00 52.55 55.22 1neh s ASP 11 Cb 0.20 -2.64 0.50 0.00 -1.46 0.00 0.00 42.92 39.52 1neh s ASP 11 CO 0.43 -0.88 1.77 0.00 0.52 0.00 0.00 175.17 177.01 1neh h ALA 12 N 4.56 1.24 -0.15 3.66 0.00 -1.92 0.24 119.26 126.89 1neh h ALA 12 Ca -0.48 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 1neh h ALA 12 Cb 1.22 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1neh h ALA 12 CO 0.77 -0.06 -0.56 1.15 0.00 0.00 0.00 179.25 180.55 1neh h THR 13 N 0.64 1.33 -0.87 0.00 2.02 -1.96 -2.27 112.91 111.81 1neh h THR 13 Ca 0.44 -1.82 0.10 0.00 0.77 0.00 0.00 66.41 65.91 1neh h THR 13 Cb 0.59 2.03 -0.06 0.00 -1.74 0.00 0.00 68.15 68.97 1neh h THR 13 CO -0.34 0.56 0.56 0.00 0.37 0.00 0.00 175.52 176.67 1neh h ALA 14 N 0.53 1.69 -0.45 6.16 0.00 -1.37 0.32 119.26 126.14 1neh h ALA 14 Ca -0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1neh h ALA 14 Cb 1.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1neh h ALA 14 CO 0.12 0.13 -0.12 0.82 0.00 0.00 0.00 179.25 180.19 1neh h ILE 15 N 0.82 1.26 -0.26 0.00 2.04 -0.52 0.46 117.51 121.30 1neh h ILE 15 Ca 0.40 -1.21 -0.15 0.00 1.00 0.00 0.00 64.86 64.90 1neh h ILE 15 Cb 0.45 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1neh h ILE 15 CO -0.17 0.42 -0.46 0.00 0.00 0.00 0.00 178.15 177.94 1neh h ALA 16 N 1.11 0.69 0.00 1.87 0.00 -0.45 -3.31 119.26 119.17 1neh h ALA 16 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1neh h ALA 16 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1neh h ALA 16 CO 0.04 0.67 -0.69 1.28 0.00 0.00 0.00 179.25 180.55 1neh n LEU 17 N -4.01 0.63 -3.58 0.00 4.77 0.96 -4.94 117.00 110.83 1neh n LEU 17 Ca -0.03 0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.85 1neh n LEU 17 Cb 0.56 -0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.55 1neh n LEU 17 CO 0.47 0.01 0.18 0.29 -1.33 0.00 0.00 177.39 177.00 1neh n LYS 18 N -1.95 -7.18 -2.00 3.23 4.76 0.14 -0.10 118.16 115.07 1neh n LYS 18 Ca 0.03 0.80 -0.41 0.00 -2.87 0.00 0.00 58.31 55.87 1neh n LYS 18 Cb 0.42 -5.81 -0.01 0.00 -1.84 0.00 0.00 35.03 27.79 1neh n LYS 18 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1neh s TYR 19 N -3.35 2.85 -0.13 2.13 6.14 -0.27 -3.96 117.35 120.76 1neh s TYR 19 Ca 0.38 1.33 -0.08 0.00 0.64 0.00 0.00 57.07 59.34 1neh s TYR 19 Cb -0.17 -3.80 0.05 0.00 0.42 0.00 0.00 41.96 38.46 1neh s TYR 19 CO 0.74 -2.29 0.32 1.21 0.64 0.00 0.00 175.55 176.17 1neh s ASN 20 N -0.41 -0.37 0.25 4.32 3.84 0.46 -4.83 114.94 118.20 1neh s ASN 20 Ca 0.52 0.68 -0.07 0.00 0.21 0.00 0.00 52.86 54.20 1neh s ASN 20 Cb -0.42 0.59 0.43 0.00 -0.55 0.00 0.00 41.25 41.30 1neh s ASN 20 CO 0.56 -0.16 1.62 1.56 -2.79 0.00 0.00 177.10 177.89 1neh h GLN 21 N 6.83 0.07 -4.73 0.43 4.20 -1.90 -0.12 115.11 119.89 1neh h GLN 21 Ca -0.36 -0.00 -0.70 0.00 0.06 0.00 0.00 58.65 57.65 1neh h GLN 21 Cb 1.17 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.88 1neh h GLN 21 CO 0.33 0.04 2.76 -3.47 -0.67 0.00 0.00 178.83 177.83 1neh n ASP 22 N -5.40 4.27 -0.33 1.46 -0.08 -1.26 -3.25 116.55 111.95 1neh n ASP 22 Ca 0.14 -2.87 0.22 0.00 -1.51 0.00 0.00 54.79 50.76 1neh n ASP 22 Cb 0.47 -1.69 0.44 0.00 2.34 0.00 0.00 41.12 42.68 1neh n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1neh h ALA 23 N 6.64 1.85 -0.48 -1.67 0.00 -1.60 0.35 119.26 124.36 1neh h ALA 23 Ca 0.52 0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.70 1neh h ALA 23 Cb 0.73 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1neh h ALA 23 CO 1.72 -0.53 0.09 1.79 0.00 0.00 0.00 179.25 182.33 1neh h THR 24 N 0.34 0.74 -1.86 0.00 1.35 -1.86 -1.94 112.91 109.67 1neh h THR 24 Ca 0.70 -0.08 -0.75 0.00 -0.55 0.00 0.00 66.41 65.74 1neh h THR 24 Cb 1.55 0.49 -0.27 0.00 -1.73 0.00 0.00 68.15 68.19 1neh h THR 24 CO -0.60 0.04 1.01 0.29 -0.25 0.00 0.00 175.52 176.02 1neh n LYS 25 N -5.11 2.72 -4.54 4.72 5.02 0.05 -4.86 118.16 116.16 1neh n LYS 25 Ca 0.05 -3.43 -0.32 0.00 -2.02 0.00 0.00 58.31 52.59 1neh n LYS 25 Cb 0.23 -2.26 -0.05 0.00 -0.02 0.00 0.00 35.03 32.92 1neh n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1neh s SER 26 N -1.06 4.29 0.00 4.39 0.15 -0.73 -4.87 113.70 115.86 1neh s SER 26 Ca 0.53 -1.58 0.00 0.00 0.70 0.00 0.00 55.95 55.60 1neh s SER 26 Cb 0.44 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1neh s SER 26 CO -0.37 -0.97 0.71 -0.62 1.20 0.00 0.00 173.24 173.19 1neh n GLU 27 N -1.44 0.75 0.10 5.44 1.02 -1.26 -4.35 120.64 120.90 1neh n GLU 27 Ca -0.16 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.94 1neh n GLU 27 Cb 0.66 -1.15 -0.02 0.00 -0.02 0.00 0.00 31.44 30.92 1neh n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1neh h ARG 28 N 0.48 -0.26 -0.46 3.49 3.08 -1.89 0.63 114.38 119.45 1neh h ARG 28 Ca 0.00 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1neh h ARG 28 Cb 0.71 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1neh h ARG 28 CO 0.00 -0.17 0.11 -0.24 -1.07 0.00 0.00 179.97 178.60 1neh h VAL 29 N -0.30 1.20 -0.55 2.04 3.04 -1.91 0.24 116.25 120.01 1neh h VAL 29 Ca -0.03 -0.71 0.03 0.00 -1.01 0.00 0.00 66.70 64.99 1neh h VAL 29 Cb 0.20 0.73 -0.04 0.00 -2.01 0.00 0.00 31.29 30.17 1neh h VAL 29 CO 0.04 0.26 0.32 0.00 -1.01 0.00 0.00 177.57 177.18 1neh h ALA 30 N 1.46 0.71 0.08 3.17 0.00 -1.84 -2.89 119.26 119.95 1neh h ALA 30 Ca 0.15 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.81 1neh h ALA 30 Cb 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1neh h ALA 30 CO -0.00 0.02 -1.13 0.00 0.00 0.00 0.00 179.25 178.14 1neh h ALA 31 N 1.26 0.22 -6.90 0.00 0.00 -0.08 -3.48 119.26 110.29 1neh h ALA 31 Ca 0.23 -0.86 -0.58 0.00 0.00 0.00 0.00 54.91 53.70 1neh h ALA 31 Cb 0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.68 1neh h ALA 31 CO -0.12 1.00 -0.95 0.00 0.00 0.00 0.00 179.25 179.18 1neh n ALA 32 N -2.49 -2.08 -1.82 0.00 0.00 0.77 -4.87 120.51 110.02 1neh n ALA 32 Ca -0.06 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.57 1neh n ALA 32 Cb 0.97 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 1neh n ALA 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1neh s ARG 33 N -7.14 4.21 0.85 0.00 0.52 -1.26 -4.96 118.95 111.17 1neh s ARG 33 Ca 0.06 2.41 -0.12 0.00 -0.52 0.00 0.00 55.73 57.56 1neh s ARG 33 Cb -0.03 -3.06 0.10 0.00 0.52 0.00 0.00 34.95 32.48 1neh s ARG 33 CO 0.96 -0.48 1.10 -1.25 0.02 0.00 0.00 175.30 175.66 1neh s PRO 34 N -0.70 1.61 0.00 3.54 0.04 -1.26 -4.50 135.00 133.73 1neh s PRO 34 Ca 0.59 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1neh s PRO 34 Cb -0.44 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1neh s PRO 34 CO 0.47 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1neh n GLY 35 N -1.84 3.27 3.36 0.56 0.00 -1.26 -4.69 105.19 104.59 1neh n GLY 35 Ca 0.07 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 1neh n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1neh s LEU 36 N 0.00 0.21 0.43 0.99 2.96 -1.26 -5.00 118.68 117.00 1neh s LEU 36 Ca 0.00 0.62 -0.25 0.00 -0.22 0.00 0.00 54.13 54.28 1neh s LEU 36 Cb 0.00 1.72 -0.10 0.00 0.50 0.00 0.00 46.19 48.31 1neh s LEU 36 CO 0.00 -0.36 1.24 -2.65 -1.32 0.00 0.00 176.35 173.27 1neh n PRO 37 N 1.88 1.85 -0.27 0.98 -0.02 -1.26 -4.74 135.00 133.41 1neh n PRO 37 Ca -0.17 0.66 0.09 0.00 -2.02 0.00 0.00 63.50 62.05 1neh n PRO 37 Cb 0.56 -2.35 0.23 0.00 -0.02 0.00 0.00 33.50 31.92 1neh n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1neh h PRO 38 N 1.98 0.22 -0.48 0.52 0.11 -1.91 -1.14 132.00 131.31 1neh h PRO 38 Ca -0.48 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.71 1neh h PRO 38 Cb 1.30 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.26 1neh h PRO 38 CO 0.59 0.15 -0.30 0.93 -0.21 0.00 0.00 178.00 179.16 1neh h GLU 39 N 0.23 -0.19 -0.20 1.05 5.08 -1.97 -1.03 114.58 117.54 1neh h GLU 39 Ca 0.48 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.75 1neh h GLU 39 Cb 0.89 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1neh h GLU 39 CO -0.60 -0.12 -0.29 0.93 -1.00 0.00 0.00 179.01 177.93 1neh h GLU 40 N -0.19 0.40 -6.47 2.33 3.07 -1.73 -3.45 114.58 108.54 1neh h GLU 40 Ca 0.20 -0.16 -0.56 0.00 -0.50 0.00 0.00 59.36 58.34 1neh h GLU 40 Cb 0.53 -0.02 0.04 0.00 -0.84 0.00 0.00 28.75 28.46 1neh h GLU 40 CO -0.58 0.66 1.00 1.04 -1.40 0.00 0.00 179.01 179.72 1neh n GLN 41 N -4.10 2.46 -3.95 2.33 6.02 -0.39 -4.87 117.38 114.88 1neh n GLN 41 Ca -0.01 0.89 -0.10 0.00 -0.01 0.00 0.00 57.00 57.78 1neh n GLN 41 Cb 0.42 -2.74 -0.03 0.00 1.02 0.00 0.00 30.24 28.91 1neh n GLN 41 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1neh s HIS 42 N 2.28 0.34 0.32 1.08 3.76 -1.26 -4.88 115.29 116.93 1neh s HIS 42 Ca 0.83 -0.76 0.09 0.00 -0.15 0.00 0.00 55.06 55.07 1neh s HIS 42 Cb -0.59 0.37 0.89 0.00 1.11 0.00 0.00 32.58 34.36 1neh s HIS 42 CO 0.40 -1.18 1.71 0.00 -0.85 0.00 0.00 174.74 174.82 1neh h ALA 44 N 1.75 2.83 -0.02 0.00 0.00 -0.89 0.28 119.26 123.20 1neh h ALA 44 Ca 0.64 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.59 1neh h ALA 44 Cb 1.26 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 19.12 1neh h ALA 44 CO -0.50 -1.48 -0.70 0.27 0.00 0.00 0.00 179.25 176.83 1neh n ASN 45 N -4.68 1.54 -4.81 0.00 0.23 -0.14 -5.06 115.26 102.35 1neh n ASN 45 Ca 0.39 -3.22 -0.36 0.00 -0.53 0.00 0.00 54.58 50.86 1neh n ASN 45 Cb 1.51 -0.44 -0.06 0.00 -2.08 0.00 0.00 39.78 38.71 1neh n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1neh h GLN 47 N 3.06 -0.08 -3.37 0.00 4.15 -0.54 -3.34 115.11 114.99 1neh h GLN 47 Ca -0.48 0.01 -0.67 0.00 0.77 0.00 0.00 58.65 58.28 1neh h GLN 47 Cb 1.19 0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.91 1neh h GLN 47 CO 0.65 0.25 3.56 1.19 -1.93 0.00 0.00 178.83 182.55 1neh n PHE 48 N -4.97 2.73 -4.28 3.99 3.72 -1.26 -4.87 117.46 112.52 1neh n PHE 48 Ca -0.08 -2.99 -0.17 0.00 -0.05 0.00 0.00 57.45 54.15 1neh n PHE 48 Cb 0.20 -2.47 -0.11 0.00 -0.94 0.00 0.00 39.48 36.16 1neh n PHE 48 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1neh s MET 49 N 2.60 1.13 -0.25 -1.08 1.75 -1.25 -1.13 119.30 121.06 1neh s MET 49 Ca 0.61 -1.40 -0.04 0.00 -1.25 0.00 0.00 55.69 53.61 1neh s MET 49 Cb 0.16 -0.92 0.09 0.00 2.84 0.00 0.00 34.83 37.00 1neh s MET 49 CO -0.07 0.16 0.11 -0.65 -0.65 0.00 0.00 175.02 173.93 1neh s GLN 50 N -3.22 0.20 -1.27 4.11 -0.21 0.34 -4.16 119.66 115.44 1neh s GLN 50 Ca 0.15 -0.43 -0.08 0.00 0.02 0.00 0.00 55.36 55.03 1neh s GLN 50 Cb -0.02 -1.43 -0.04 0.00 1.00 0.00 0.00 33.01 32.52 1neh s GLN 50 CO 0.04 -0.90 2.86 0.00 -2.12 0.00 0.00 175.29 175.16 1neh n ALA 51 N 5.23 7.14 -2.70 6.09 0.00 -1.26 -0.30 120.51 134.70 1neh n ALA 51 Ca -0.06 -3.47 -0.04 0.00 0.00 0.00 0.00 53.44 49.87 1neh n ALA 51 Cb 0.44 -2.99 0.10 0.00 0.00 0.00 0.00 19.45 17.00 1neh n ALA 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1neh n ASP 52 N 2.72 -0.87 -4.31 0.00 2.03 -1.26 -5.04 116.55 109.82 1neh n ASP 52 Ca 0.68 -2.32 -0.31 0.00 0.52 0.00 0.00 54.79 53.36 1neh n ASP 52 Cb 0.33 0.50 -0.16 0.00 -0.72 0.00 0.00 41.12 41.07 1neh n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1neh s ALA 53 N -0.75 2.22 -0.32 -1.67 0.00 -1.26 -4.98 121.76 115.00 1neh s ALA 53 Ca 0.18 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 1neh s ALA 53 Cb 0.42 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1neh s ALA 53 CO -0.09 0.47 1.74 0.00 0.00 0.00 0.00 175.76 177.89 1neh s ALA 54 N -0.38 2.94 0.00 0.00 0.00 -1.26 -1.77 121.76 121.29 1neh s ALA 54 Ca 0.03 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1neh s ALA 54 Cb -0.12 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 19.01 1neh s ALA 54 CO 0.02 -2.51 0.00 0.41 0.00 0.00 0.00 175.76 173.68 1neh n GLY 55 N 5.30 0.89 3.64 0.00 0.00 -1.26 -5.02 105.19 108.74 1neh n GLY 55 Ca 0.22 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 45.23 1neh n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1neh n ALA 56 N -0.69 0.55 -1.87 4.61 0.00 -0.73 -4.99 120.51 117.40 1neh n ALA 56 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1neh n ALA 56 Cb 0.16 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1neh n ALA 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1neh n THR 57 N 1.24 0.00 0.02 0.00 -2.24 0.24 -5.03 114.28 108.51 1neh n THR 57 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1neh n THR 57 Cb 0.31 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1neh n THR 57 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1neh n ASP 58 N 0.00 0.05 0.15 3.42 2.03 -1.26 -4.84 116.55 116.09 1neh n ASP 58 Ca 0.00 0.07 0.02 0.00 0.52 0.00 0.00 54.79 55.40 1neh n ASP 58 Cb 0.00 0.03 0.37 0.00 -0.72 0.00 0.00 41.12 40.80 1neh n ASP 58 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1neh h GLU 59 N 0.00 0.13 -4.87 -0.67 4.39 -1.98 -3.41 114.58 108.17 1neh h GLU 59 Ca 0.00 -0.04 -0.67 0.00 0.34 0.00 0.00 59.36 58.99 1neh h GLU 59 Cb 0.30 -0.01 -0.27 0.00 -0.10 0.00 0.00 28.75 28.66 1neh h GLU 59 CO 0.00 0.39 -0.66 -1.58 -1.16 0.00 0.00 179.01 175.99 1neh s TRP 60 N -4.45 3.09 0.45 4.33 0.52 -1.26 -0.50 118.94 121.11 1neh s TRP 60 Ca -0.04 -1.02 0.03 0.00 0.02 0.00 0.00 56.10 55.09 1neh s TRP 60 Cb 0.15 -2.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.27 1neh s TRP 60 CO 0.73 -0.58 0.11 0.15 0.02 0.00 0.00 176.95 177.38 1neh s LYS 61 N 1.47 2.04 0.45 4.98 3.01 -0.43 -0.59 119.74 130.67 1neh s LYS 61 Ca 0.03 -2.27 -0.07 0.00 -1.01 0.00 0.00 55.97 52.65 1neh s LYS 61 Cb -0.16 -0.79 -0.04 0.00 -1.01 0.00 0.00 37.83 35.82 1neh s LYS 61 CO 0.00 -0.49 0.78 0.20 0.51 0.00 0.00 175.35 176.35 1neh s GLY 62 N -3.69 1.64 0.16 -3.33 0.00 0.58 0.05 107.32 102.74 1neh s GLY 62 Ca 0.18 -0.41 0.05 0.00 0.00 0.00 0.00 44.72 44.54 1neh s GLY 62 CO 0.12 -0.24 0.12 0.00 0.00 0.00 0.00 173.10 173.09 1neh h GLN 64 N 2.48 0.86 0.00 0.00 5.75 -1.29 -3.13 115.11 119.78 1neh h GLN 64 Ca -0.48 -0.39 -0.05 0.00 -0.15 0.00 0.00 58.65 57.59 1neh h GLN 64 Cb 1.20 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 1neh h GLN 64 CO 0.63 1.03 -0.23 -0.07 -2.65 0.00 0.00 178.83 177.53 1neh h LEU 65 N 0.67 0.00 -7.00 -2.39 3.38 -1.96 -3.35 115.31 104.67 1neh h LEU 65 Ca 0.09 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.39 1neh h LEU 65 Cb 0.79 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.15 1neh h LEU 65 CO 0.06 0.23 -0.30 0.49 0.09 0.00 0.00 178.44 179.01 1neh n PHE 66 N -3.29 3.67 -1.19 1.13 3.72 -1.18 -5.08 117.46 115.23 1neh n PHE 66 Ca 0.01 -4.11 -0.32 0.00 -0.05 0.00 0.00 57.45 52.98 1neh n PHE 66 Cb 0.49 -0.86 0.11 0.00 -0.94 0.00 0.00 39.48 38.28 1neh n PHE 66 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1neh s PRO 67 N -1.71 1.96 0.00 -1.08 0.04 -1.24 -3.45 135.00 129.53 1neh s PRO 67 Ca 0.29 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1neh s PRO 67 Cb -0.01 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1neh s PRO 67 CO -0.11 -1.90 0.00 0.41 0.04 0.00 0.00 177.00 175.44 1neh n GLY 68 N -0.50 1.18 3.89 0.56 0.00 -1.26 -4.88 105.19 104.18 1neh n GLY 68 Ca 0.11 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1neh n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1neh s LYS 69 N 0.00 0.75 -0.07 1.61 1.02 -1.25 -4.96 119.74 116.84 1neh s LYS 69 Ca 0.00 -0.25 0.01 0.00 0.02 0.00 0.00 55.97 55.76 1neh s LYS 69 Cb 0.00 -1.84 0.02 0.00 -0.52 0.00 0.00 37.83 35.48 1neh s LYS 69 CO 0.00 -2.37 -0.09 -0.51 -0.92 0.00 0.00 175.35 171.46 1neh s LEU 70 N -5.93 1.46 0.17 3.17 1.43 0.68 -4.58 118.68 115.08 1neh s LEU 70 Ca 0.71 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 53.50 1neh s LEU 70 Cb -0.06 -0.71 -0.06 0.00 0.03 0.00 0.00 46.19 45.39 1neh s LEU 70 CO 0.53 -0.02 0.43 0.27 0.23 0.00 0.00 176.35 177.78 1neh s ILE 71 N 0.92 5.10 0.03 -0.59 -5.25 0.11 -0.07 121.20 121.45 1neh s ILE 71 Ca -0.10 0.15 -0.30 0.00 -0.99 0.00 0.00 60.65 59.40 1neh s ILE 71 Cb -0.15 -3.62 -0.05 0.00 2.95 0.00 0.00 42.46 41.59 1neh s ILE 71 CO 0.01 0.00 1.23 0.21 -1.79 0.00 0.00 174.94 174.60 1neh s ASN 72 N -2.43 7.03 0.32 4.36 3.84 -1.26 -1.32 114.94 125.48 1neh s ASN 72 Ca 0.43 1.99 0.03 0.00 0.21 0.00 0.00 52.86 55.52 1neh s ASN 72 Cb -0.12 -2.57 0.61 0.00 -0.55 0.00 0.00 41.25 38.62 1neh s ASN 72 CO 0.24 -0.54 1.91 -0.37 -2.79 0.00 0.00 177.10 175.55 1neh h VAL 73 N 4.67 1.02 -0.22 -5.21 -1.51 -1.10 -0.37 116.25 113.53 1neh h VAL 73 Ca -0.39 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 1neh h VAL 73 Cb 1.20 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1neh h VAL 73 CO 0.84 0.17 0.00 -3.20 -1.23 0.00 0.00 177.57 174.15 1neh n ASN 74 N -4.50 1.29 -4.96 4.19 2.85 -1.26 -0.29 115.26 112.58 1neh n ASN 74 Ca 0.14 -1.91 -0.20 0.00 -0.11 0.00 0.00 54.58 52.50 1neh n ASN 74 Cb 0.25 -0.14 0.06 0.00 1.24 0.00 0.00 39.78 41.19 1neh n ASN 74 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1neh s GLY 75 N -1.14 1.77 0.02 8.20 0.00 -0.15 -3.82 107.32 112.19 1neh s GLY 75 Ca 0.20 -1.98 -0.14 0.00 0.00 0.00 0.00 44.72 42.81 1neh s GLY 75 CO 0.15 -1.54 0.30 0.86 0.00 0.00 0.00 173.10 172.87 1neh s TRP 76 N -2.71 -0.12 0.10 1.90 -0.00 -0.08 -0.10 118.94 117.92 1neh s TRP 76 Ca 0.62 0.07 0.03 0.00 -0.00 0.00 0.00 56.10 56.81 1neh s TRP 76 Cb -0.06 0.09 -0.04 0.00 -0.00 0.00 0.00 33.47 33.46 1neh s TRP 76 CO 0.39 -0.46 -0.09 0.00 -0.00 0.00 0.00 176.95 176.80 1neh h ALA 78 N 3.38 1.33 0.00 0.00 0.00 -0.63 -2.76 119.26 120.59 1neh h ALA 78 Ca -0.36 0.12 -0.50 0.00 0.00 0.00 0.00 54.91 54.17 1neh h ALA 78 Cb 1.18 0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.06 1neh h ALA 78 CO 0.57 -0.22 3.07 0.43 0.00 0.00 0.00 179.25 183.09 1neh n SER 79 N -4.96 6.70 0.00 0.00 7.64 -1.26 -4.66 113.62 117.08 1neh n SER 79 Ca 0.19 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.64 1neh n SER 79 Cb 0.54 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1neh n SER 79 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1neh n TRP 80 N 3.83 0.00 -0.78 1.43 -0.00 -1.04 -4.73 117.44 116.15 1neh n TRP 80 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 58.10 1neh n TRP 80 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.52 1neh n TRP 80 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1neh n THR 81 N 0.00 -3.78 -0.97 5.87 -1.04 -1.26 -3.68 114.28 109.42 1neh n THR 81 Ca 0.00 1.01 -0.34 0.00 -2.04 0.00 0.00 64.05 62.69 1neh n THR 81 Cb 0.00 -2.31 0.12 0.00 -1.82 0.00 0.00 70.33 66.32 1neh n THR 81 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1neh n LEU 82 N 0.12 1.68 -4.69 -4.42 0.00 -1.26 -0.04 117.00 108.39 1neh n LEU 82 Ca 0.00 0.47 -0.44 0.00 0.00 0.00 0.00 56.01 56.04 1neh n LEU 82 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 43.42 42.06 1neh n LEU 82 CO 0.00 -2.82 1.38 1.17 0.00 0.00 0.00 177.39 177.12 1neh n LYS 83 N -2.20 2.56 -3.34 1.96 4.81 -1.06 -3.98 118.16 116.92 1neh n LYS 83 Ca 0.10 0.93 -0.39 0.00 -0.87 0.00 0.00 58.31 58.08 1neh n LYS 83 Cb 0.52 -2.77 -0.03 0.00 0.02 0.00 0.00 35.03 32.76 1neh n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1neh n ALA 84 N 4.77 4.39 0.00 3.14 0.00 -1.26 -4.99 120.51 126.57 1neh n ALA 84 Ca 0.18 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 48.91 1neh n ALA 84 Cb 0.34 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1neh n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91