#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nzd s ARG 17 N 0.00 1.95 0.12 -1.58 0.52 -1.26 -5.02 118.95 113.67 2nzd s ARG 17 Ca 0.00 -1.68 0.00 0.00 -0.52 0.00 0.00 55.73 53.53 2nzd s ARG 17 Cb 0.00 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.16 2nzd s ARG 17 CO 0.00 -0.89 0.00 0.72 0.02 0.00 0.00 175.30 175.15 2nzd n HIS 18 N 4.47 -1.14 -3.53 -0.53 8.25 -1.26 -5.06 115.22 116.43 2nzd n HIS 18 Ca -0.04 0.60 -0.24 0.00 -0.26 0.00 0.00 57.72 57.79 2nzd n HIS 18 Cb 0.42 -1.81 -0.14 0.00 1.12 0.00 0.00 29.99 29.57 2nzd n HIS 18 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2nzd s ARG 19 N -4.61 0.17 0.17 -0.41 3.00 -1.26 -5.14 118.95 110.87 2nzd s ARG 19 Ca 0.00 -0.14 -0.22 0.00 -1.00 0.00 0.00 55.73 54.37 2nzd s ARG 19 Cb 0.00 -1.32 -0.13 0.00 0.00 0.00 0.00 34.95 33.50 2nzd s ARG 19 CO 0.00 -0.81 0.38 1.17 0.00 0.00 0.00 175.30 176.04 2nzd n LYS 20 N 5.29 0.00 -2.91 5.12 3.00 -1.26 -4.89 118.16 122.51 2nzd n LYS 20 Ca -0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.84 2nzd n LYS 20 Cb 0.47 -0.79 -0.04 0.00 0.00 0.00 0.00 35.03 34.67 2nzd n LYS 20 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2nzd s VAL 21 N -0.83 4.90 -0.35 3.15 1.01 -1.26 -5.02 120.40 122.00 2nzd s VAL 21 Ca 0.50 1.61 -0.19 0.00 0.00 0.00 0.00 61.98 63.89 2nzd s VAL 21 Cb -0.71 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 31.54 2nzd s VAL 21 CO 0.44 0.04 0.57 -0.76 0.00 0.00 0.00 175.10 175.40 2nzd s LEU 22 N 2.06 4.31 -0.04 3.92 1.43 -1.26 -5.04 118.68 124.04 2nzd s LEU 22 Ca 0.38 0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.47 2nzd s LEU 22 Cb -0.17 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.39 2nzd s LEU 22 CO 0.13 -0.53 0.16 0.00 0.23 0.00 0.00 176.35 176.33 2nzd s ARG 23 N 2.54 0.27 -1.46 1.70 1.70 -1.26 -4.94 118.95 117.50 2nzd s ARG 23 Ca 0.21 0.05 -0.09 0.00 -0.47 0.00 0.00 55.73 55.44 2nzd s ARG 23 Cb -0.15 0.12 0.04 0.00 -0.57 0.00 0.00 34.95 34.40 2nzd s ARG 23 CO 0.14 -0.05 0.76 -3.47 -1.08 0.00 0.00 175.30 171.60 2nzd n ASP 24 N 2.57 -5.25 0.18 -2.89 2.03 -1.26 -4.90 116.55 107.04 2nzd n ASP 24 Ca -0.15 -0.47 0.14 0.00 0.52 0.00 0.00 54.79 54.82 2nzd n ASP 24 Cb 0.58 -4.23 0.54 0.00 -0.72 0.00 0.00 41.12 37.29 2nzd n ASP 24 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2nzd h ASN 25 N -1.66 0.00 0.00 1.67 2.35 -2.01 -3.03 115.58 112.91 2nzd h ASN 25 Ca -0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 2nzd h ASN 25 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 2nzd h ASN 25 CO 0.59 0.00 0.10 -0.29 -1.65 0.00 0.00 177.43 176.17 2nzd h ILE 26 N 0.00 0.00 -0.01 2.81 6.09 -1.98 0.17 117.51 124.60 2nzd h ILE 26 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2nzd h ILE 26 Cb 0.46 0.84 0.00 0.00 0.47 0.00 0.00 36.82 38.60 2nzd h ILE 26 CO 0.00 0.00 -0.17 0.00 -3.07 0.00 0.00 178.15 174.91 2nzd n GLN 27 N -2.93 0.85 0.10 2.19 1.13 -1.14 -2.21 117.38 115.38 2nzd n GLN 27 Ca -0.03 -0.42 0.12 0.00 -1.94 0.00 0.00 57.00 54.74 2nzd n GLN 27 Cb 0.16 -1.49 0.45 0.00 0.11 0.00 0.00 30.24 29.47 2nzd n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nzd n GLY 28 N 1.30 -1.49 3.51 1.08 0.00 0.61 -4.10 105.19 106.10 2nzd n GLY 28 Ca 0.14 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2nzd n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nzd s ILE 29 N -3.18 4.30 0.84 -0.61 -1.09 -0.94 -5.00 121.20 115.53 2nzd s ILE 29 Ca 0.08 -1.21 -0.11 0.00 -2.23 0.00 0.00 60.65 57.18 2nzd s ILE 29 Cb 0.11 -4.94 0.10 0.00 -1.58 0.00 0.00 42.46 36.15 2nzd s ILE 29 CO 0.49 -1.75 1.09 0.42 -1.23 0.00 0.00 174.94 173.96 2nzd s THR 30 N 3.88 2.92 0.22 2.92 -4.23 -1.26 -4.84 115.64 115.27 2nzd s THR 30 Ca 0.41 0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 61.14 2nzd s THR 30 Cb -0.02 -2.86 0.17 0.00 1.34 0.00 0.00 72.50 71.13 2nzd s THR 30 CO -0.09 -0.39 1.81 0.50 -0.54 0.00 0.00 174.62 175.91 2nzd h LYS 31 N -1.33 0.73 -0.15 3.99 3.64 -1.94 -1.86 116.57 119.65 2nzd h LYS 31 Ca -0.48 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 58.69 2nzd h LYS 31 Cb 1.27 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2nzd h LYS 31 CO 0.55 0.48 -0.60 -1.35 -2.27 0.00 0.00 179.45 176.26 2nzd h PRO 32 N 0.75 0.49 -0.40 1.90 0.11 -1.98 -0.59 132.00 132.28 2nzd h PRO 32 Ca 0.33 -0.33 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2nzd h PRO 32 Cb 0.22 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 2nzd h PRO 32 CO -0.20 0.95 0.25 0.00 -0.21 0.00 0.00 178.00 178.79 2nzd h ALA 33 N 0.98 0.51 -0.50 -0.75 0.00 -1.88 0.42 119.26 118.03 2nzd h ALA 33 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2nzd h ALA 33 Cb 1.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2nzd h ALA 33 CO 0.11 -0.08 0.18 0.82 0.00 0.00 0.00 179.25 180.28 2nzd h ILE 34 N 0.50 1.22 -0.96 0.00 2.04 -1.19 -1.92 117.51 117.19 2nzd h ILE 34 Ca 0.15 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.34 2nzd h ILE 34 Cb -0.02 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 2nzd h ILE 34 CO -0.06 0.26 0.63 -0.09 0.00 0.00 0.00 178.15 178.89 2nzd h ARG 35 N 0.67 1.19 -0.42 2.37 2.43 -0.87 -0.59 114.38 119.15 2nzd h ARG 35 Ca 0.16 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2nzd h ARG 35 Cb 0.24 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2nzd h ARG 35 CO -0.01 0.78 0.24 0.00 -1.51 0.00 0.00 179.97 179.48 2nzd h ARG 36 N 1.22 0.58 -0.84 0.20 3.08 -0.41 -0.88 114.38 117.34 2nzd h ARG 36 Ca 0.38 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 2nzd h ARG 36 Cb -0.01 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 2nzd h ARG 36 CO -0.12 0.45 0.49 -0.07 -1.07 0.00 0.00 179.97 179.65 2nzd h LEU 37 N 0.56 1.02 -0.94 3.04 3.38 -0.76 -1.46 115.31 120.15 2nzd h LEU 37 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2nzd h LEU 37 Cb 0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 2nzd h LEU 37 CO -0.03 0.79 0.61 0.00 0.09 0.00 0.00 178.44 179.91 2nzd h ALA 38 N 1.38 1.20 -0.13 1.53 0.00 -0.56 -1.87 119.26 120.80 2nzd h ALA 38 Ca 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2nzd h ALA 38 Cb -0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 2nzd h ALA 38 CO -0.05 0.61 0.06 0.00 0.00 0.00 0.00 179.25 179.87 2nzd h ARG 39 N 1.28 0.18 -0.27 0.00 2.47 -0.17 -0.24 114.38 117.62 2nzd h ARG 39 Ca 0.34 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 59.09 2nzd h ARG 39 Cb -0.12 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 2nzd h ARG 39 CO -0.07 0.22 0.19 -0.09 0.56 0.00 0.00 179.97 180.78 2nzd h ARG 40 N 0.09 0.13 -0.15 0.04 2.43 -1.10 0.88 114.38 116.71 2nzd h ARG 40 Ca 0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2nzd h ARG 40 Cb 0.10 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2nzd h ARG 40 CO -0.01 0.08 0.00 0.41 -1.51 0.00 0.00 179.97 178.95 2nzd n GLY 41 N -1.55 -0.08 1.31 2.80 0.00 -0.40 -4.90 105.19 102.37 2nzd n GLY 41 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2nzd n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nzd n GLY 42 N 0.97 0.65 3.79 -0.02 0.00 0.30 -5.04 105.19 105.85 2nzd n GLY 42 Ca 0.13 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 2nzd n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nzd s VAL 43 N -2.00 5.28 -0.20 1.61 1.01 -0.24 -4.99 120.40 120.87 2nzd s VAL 43 Ca 0.00 0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.57 2nzd s VAL 43 Cb 0.00 -3.60 -0.15 0.00 0.00 0.00 0.00 36.38 32.63 2nzd s VAL 43 CO 0.00 0.49 -0.13 1.17 0.00 0.00 0.00 175.10 176.64 2nzd n LYS 44 N 2.75 0.72 -4.45 2.72 4.81 -1.26 -4.41 118.16 119.03 2nzd n LYS 44 Ca -0.14 0.09 -0.21 0.00 -0.87 0.00 0.00 58.31 57.18 2nzd n LYS 44 Cb 0.53 -1.42 -0.15 0.00 0.02 0.00 0.00 35.03 34.01 2nzd n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2nzd s ARG 45 N -2.41 1.00 -0.19 1.64 3.52 -1.26 -5.14 118.95 116.11 2nzd s ARG 45 Ca -0.23 -0.36 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 2nzd s ARG 45 Cb 0.07 -0.94 0.04 0.00 -1.56 0.00 0.00 34.95 32.56 2nzd s ARG 45 CO 0.53 0.16 -0.10 0.42 -0.81 0.00 0.00 175.30 175.50 2nzd s ILE 46 N 0.04 1.57 0.62 4.11 1.01 -1.26 -5.12 121.20 122.17 2nzd s ILE 46 Ca -0.01 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.54 2nzd s ILE 46 Cb -0.07 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 2nzd s ILE 46 CO 0.00 0.20 1.26 -0.55 0.00 0.00 0.00 174.94 175.85 2nzd s SER 47 N 1.43 4.89 0.44 3.58 0.15 -1.26 -4.90 113.70 118.04 2nzd s SER 47 Ca -0.00 2.52 0.22 0.00 0.70 0.00 0.00 55.95 59.39 2nzd s SER 47 Cb -0.16 -2.61 1.21 0.00 -1.71 0.00 0.00 66.02 62.75 2nzd s SER 47 CO -0.08 -1.80 1.80 1.23 1.20 0.00 0.00 173.24 175.58 2nzd h GLY 48 N 0.73 0.84 0.06 9.45 0.00 -2.06 -1.95 103.07 110.14 2nzd h GLY 48 Ca -0.51 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2nzd h GLY 48 CO 0.54 -0.08 -0.06 1.04 0.00 0.00 0.00 176.54 177.98 2nzd n LEU 49 N -4.50 1.05 -0.19 3.11 4.77 -1.26 -4.02 117.00 115.97 2nzd n LEU 49 Ca 0.24 -0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 55.87 2nzd n LEU 49 Cb 0.91 -0.05 0.16 0.00 -2.33 0.00 0.00 43.42 42.11 2nzd n LEU 49 CO 0.30 0.18 1.03 0.40 -1.33 0.00 0.00 177.39 177.97 2nzd h ILE 50 N 1.56 1.23 -0.91 -0.08 1.08 -1.72 -2.95 117.51 115.72 2nzd h ILE 50 Ca 0.00 -0.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 2nzd h ILE 50 Cb 0.41 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 2nzd h ILE 50 CO 0.00 0.30 0.53 1.88 -0.69 0.00 0.00 178.15 180.17 2nzd h TYR 51 N 0.93 1.22 -0.11 1.37 -1.99 -1.79 0.23 116.97 116.84 2nzd h TYR 51 Ca 0.21 -0.01 -0.23 0.00 2.00 0.00 0.00 58.73 60.70 2nzd h TYR 51 Cb 0.23 -0.40 0.01 0.00 2.00 0.00 0.00 36.73 38.57 2nzd h TYR 51 CO 0.02 0.82 -0.84 0.93 -0.00 0.00 0.00 178.16 179.09 2nzd h GLU 52 N 1.26 0.76 -0.08 4.88 4.39 -1.83 -2.25 114.58 121.71 2nzd h GLU 52 Ca 0.33 -0.67 0.02 0.00 0.34 0.00 0.00 59.36 59.37 2nzd h GLU 52 Cb -0.02 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2nzd h GLU 52 CO -0.06 1.27 -0.02 1.49 -1.16 0.00 0.00 179.01 180.53 2nzd h GLU 53 N 0.48 0.00 -0.42 2.33 4.57 -1.29 -0.67 114.58 119.58 2nzd h GLU 53 Ca -0.07 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2nzd h GLU 53 Cb 1.48 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.03 2nzd h GLU 53 CO 0.17 0.00 0.21 1.15 -1.18 0.00 0.00 179.01 179.37 2nzd h THR 54 N 0.00 0.98 -0.51 0.32 2.02 -0.55 0.16 112.91 115.34 2nzd h THR 54 Ca 0.04 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.11 2nzd h THR 54 Cb 0.06 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 2nzd h THR 54 CO -0.08 0.08 0.27 0.03 0.37 0.00 0.00 175.52 176.18 2nzd h ARG 55 N 0.43 0.50 0.05 6.66 3.08 -1.24 0.94 114.38 124.81 2nzd h ARG 55 Ca 0.18 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.22 2nzd h ARG 55 Cb 0.07 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 2nzd h ARG 55 CO -0.12 0.33 -0.40 0.78 -1.07 0.00 0.00 179.97 179.50 2nzd h GLY 56 N 0.52 -0.76 0.56 0.04 0.00 0.32 -1.56 103.07 102.19 2nzd h GLY 56 Ca 0.22 0.48 0.09 0.00 0.00 0.00 0.00 47.33 48.12 2nzd h GLY 56 CO -0.15 -0.25 0.47 -2.08 0.00 0.00 0.00 176.54 174.53 2nzd h VAL 57 N -0.59 0.93 -0.78 4.60 2.07 -0.27 -2.42 116.25 119.80 2nzd h VAL 57 Ca 0.04 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2nzd h VAL 57 Cb 0.65 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2nzd h VAL 57 CO -0.27 0.15 0.50 0.25 0.02 0.00 0.00 177.57 178.21 2nzd h LEU 58 N 0.80 0.92 -0.95 2.57 5.85 -0.22 -2.19 115.31 122.08 2nzd h LEU 58 Ca 0.38 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 2nzd h LEU 58 Cb 0.32 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2nzd h LEU 58 CO -0.23 0.69 0.33 0.50 -0.34 0.00 0.00 178.44 179.39 2nzd h LYS 59 N 1.06 1.09 -0.43 1.25 3.64 -0.84 0.15 116.57 122.50 2nzd h LYS 59 Ca 0.28 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2nzd h LYS 59 Cb -0.08 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 2nzd h LYS 59 CO -0.06 0.86 0.05 0.28 -2.27 0.00 0.00 179.45 178.31 2nzd h VAL 60 N 1.07 1.25 0.45 2.00 2.07 -1.14 -0.79 116.25 121.17 2nzd h VAL 60 Ca 0.26 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2nzd h VAL 60 Cb 0.15 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2nzd h VAL 60 CO -0.03 0.32 -0.28 0.15 0.02 0.00 0.00 177.57 177.76 2nzd h PHE 61 N 0.58 -0.73 -0.66 1.57 3.57 -0.84 -2.11 116.94 118.32 2nzd h PHE 61 Ca 0.13 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2nzd h PHE 61 Cb 0.41 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 2nzd h PHE 61 CO 0.03 -0.43 0.44 -0.07 -2.23 0.00 0.00 178.31 176.05 2nzd h LEU 62 N -0.69 0.74 -0.89 0.59 3.38 -0.68 -2.24 115.31 115.52 2nzd h LEU 62 Ca -0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2nzd h LEU 62 Cb 0.57 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2nzd h LEU 62 CO 0.05 0.53 0.12 -0.33 0.09 0.00 0.00 178.44 178.91 2nzd h GLU 63 N 0.88 0.95 -0.20 1.13 5.08 -0.81 0.23 114.58 121.83 2nzd h GLU 63 Ca 0.25 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2nzd h GLU 63 Cb -0.07 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 2nzd h GLU 63 CO -0.06 0.86 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.70 2nzd h ASN 64 N 0.90 0.53 -0.36 1.42 2.35 -0.98 -0.83 115.58 118.61 2nzd h ASN 64 Ca 0.19 -0.48 -0.11 0.00 -0.55 0.00 0.00 56.30 55.35 2nzd h ASN 64 Cb 0.36 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2nzd h ASN 64 CO 0.00 0.90 -0.22 0.58 -1.65 0.00 0.00 177.43 177.05 2nzd h VAL 65 N 0.17 1.29 -0.50 2.81 2.07 -1.29 -3.04 116.25 117.75 2nzd h VAL 65 Ca 0.03 -1.35 -0.11 0.00 0.82 0.00 0.00 66.70 66.09 2nzd h VAL 65 Cb 0.75 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2nzd h VAL 65 CO 0.05 0.45 -0.12 0.40 0.02 0.00 0.00 177.57 178.36 2nzd h ILE 66 N 0.56 1.27 -0.14 4.57 2.04 -0.54 -0.94 117.51 124.32 2nzd h ILE 66 Ca 0.07 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.71 2nzd h ILE 66 Cb 0.77 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2nzd h ILE 66 CO 0.06 0.44 -0.05 -0.09 0.00 0.00 0.00 178.15 178.50 2nzd h ARG 67 N 0.84 -0.03 -0.17 2.37 2.43 -1.20 0.35 114.38 118.98 2nzd h ARG 67 Ca 0.13 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2nzd h ARG 67 Cb 0.67 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2nzd h ARG 67 CO 0.05 -0.02 0.03 -0.44 -1.51 0.00 0.00 179.97 178.08 2nzd h ASP 68 N -0.03 0.26 0.03 -3.80 3.32 -1.43 -0.29 116.42 114.48 2nzd h ASP 68 Ca 0.08 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.90 2nzd h ASP 68 Cb 0.14 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2nzd h ASP 68 CO -0.17 0.45 -0.20 0.00 -1.72 0.00 0.00 179.24 177.60 2nzd h ALA 69 N 0.82 -0.27 -0.95 3.45 0.00 -0.97 -1.54 119.26 119.80 2nzd h ALA 69 Ca 0.05 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.07 2nzd h ALA 69 Cb 0.29 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2nzd h ALA 69 CO 0.00 -0.70 0.61 0.28 0.00 0.00 0.00 179.25 179.44 2nzd h VAL 70 N -0.34 0.93 -0.76 0.00 2.07 -0.25 -0.47 116.25 117.43 2nzd h VAL 70 Ca 0.05 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2nzd h VAL 70 Cb 0.39 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 2nzd h VAL 70 CO -0.16 0.17 0.47 0.74 0.02 0.00 0.00 177.57 178.81 2nzd h THR 71 N 0.92 1.07 -0.51 2.57 2.02 -0.33 -0.40 112.91 118.25 2nzd h THR 71 Ca 0.46 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 2nzd h THR 71 Cb 0.49 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 2nzd h THR 71 CO -0.22 0.16 0.16 1.88 0.37 0.00 0.00 175.52 177.87 2nzd h TYR 72 N 0.89 0.82 0.01 3.16 -1.99 -0.20 -1.50 116.97 118.17 2nzd h TYR 72 Ca 0.32 -0.08 0.03 0.00 2.00 0.00 0.00 58.73 60.99 2nzd h TYR 72 Cb 0.08 -0.24 -0.05 0.00 2.00 0.00 0.00 36.73 38.52 2nzd h TYR 72 CO -0.04 0.71 -0.31 1.15 -0.00 0.00 0.00 178.16 179.66 2nzd h THR 73 N 0.69 0.32 -0.84 -2.88 2.02 -0.52 -0.93 112.91 110.77 2nzd h THR 73 Ca 0.16 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 2nzd h THR 73 Cb 0.28 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 2nzd h THR 73 CO -0.00 0.00 0.52 -0.33 0.37 0.00 0.00 175.52 176.08 2nzd h GLU 74 N -0.47 1.13 -0.74 6.66 5.08 -1.03 -2.07 114.58 123.14 2nzd h GLU 74 Ca 0.06 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2nzd h GLU 74 Cb 0.55 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2nzd h GLU 74 CO -0.26 0.77 0.39 1.25 -1.00 0.00 0.00 179.01 180.17 2nzd h HIS 75 N 1.15 1.01 0.00 4.33 2.76 -0.49 -0.96 115.15 122.95 2nzd h HIS 75 Ca 0.30 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 2nzd h HIS 75 Cb -0.08 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.56 2nzd h HIS 75 CO 0.00 0.71 0.00 0.00 -1.30 0.00 0.00 177.93 177.34 2nzd n ALA 76 N -2.43 2.14 -2.74 5.26 0.00 -0.43 -4.93 120.51 117.38 2nzd n ALA 76 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 2nzd n ALA 76 Cb 0.11 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.16 2nzd n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nzd n LYS 77 N -1.97 -3.13 -4.45 0.00 5.02 -0.36 -5.07 118.16 108.20 2nzd n LYS 77 Ca 0.05 0.38 -0.25 0.00 -2.02 0.00 0.00 58.31 56.47 2nzd n LYS 77 Cb 0.35 -4.01 -0.11 0.00 -0.02 0.00 0.00 35.03 31.25 2nzd n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nzd s ARG 78 N -4.88 1.62 0.00 1.97 0.52 -1.06 -5.02 118.95 112.10 2nzd s ARG 78 Ca 0.07 -1.68 0.22 0.00 -0.52 0.00 0.00 55.73 53.82 2nzd s ARG 78 Cb -0.03 -1.79 -0.09 0.00 0.52 0.00 0.00 34.95 33.56 2nzd s ARG 78 CO 0.33 0.35 1.01 1.63 0.02 0.00 0.00 175.30 178.64 2nzd n LYS 79 N -0.30 0.56 -3.97 3.54 5.02 -1.26 -4.47 118.16 117.29 2nzd n LYS 79 Ca -0.08 -0.46 -0.35 0.00 -2.02 0.00 0.00 58.31 55.40 2nzd n LYS 79 Cb 0.59 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.98 2nzd n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2nzd s THR 80 N -2.76 3.97 -0.33 -0.18 2.01 -1.26 -5.07 115.64 112.02 2nzd s THR 80 Ca 0.13 -0.30 -0.29 0.00 0.31 0.00 0.00 61.69 61.54 2nzd s THR 80 Cb 0.17 -2.81 0.02 0.00 0.01 0.00 0.00 72.50 69.89 2nzd s THR 80 CO 0.73 0.41 1.08 -0.69 -0.69 0.00 0.00 174.62 175.45 2nzd s VAL 81 N 1.21 4.48 0.51 3.82 1.01 -1.26 -4.92 120.40 125.25 2nzd s VAL 81 Ca 0.03 1.69 -0.03 0.00 0.00 0.00 0.00 61.98 63.68 2nzd s VAL 81 Cb -0.15 -4.43 -0.00 0.00 0.00 0.00 0.00 36.38 31.80 2nzd s VAL 81 CO 0.01 -0.53 0.78 0.42 0.00 0.00 0.00 175.10 175.78 2nzd s THR 82 N 3.72 4.03 0.37 3.92 -4.23 -1.26 -4.98 115.64 117.21 2nzd s THR 82 Ca 0.46 -0.20 0.08 0.00 -1.18 0.00 0.00 61.69 60.85 2nzd s THR 82 Cb -0.12 -3.54 0.31 0.00 1.34 0.00 0.00 72.50 70.49 2nzd s THR 82 CO 0.17 -0.47 1.94 0.00 -0.54 0.00 0.00 174.62 175.72 2nzd h ALA 83 N 0.15 1.80 -0.51 3.99 0.00 -1.96 -2.09 119.26 120.65 2nzd h ALA 83 Ca -0.46 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2nzd h ALA 83 Cb 1.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2nzd h ALA 83 CO 0.59 0.05 0.12 0.52 0.00 0.00 0.00 179.25 180.53 2nzd h MET 84 N 0.68 0.82 -0.36 0.00 2.86 -1.94 0.69 114.93 117.67 2nzd h MET 84 Ca 0.34 -0.20 0.07 0.00 -2.06 0.00 0.00 59.70 57.85 2nzd h MET 84 Cb 0.43 -0.11 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 2nzd h MET 84 CO -0.12 0.79 -0.10 -0.44 1.06 0.00 0.00 176.91 178.10 2nzd h ASP 85 N 0.71 -0.36 -0.85 1.22 3.32 -1.74 -0.18 116.42 118.52 2nzd h ASP 85 Ca 0.16 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 2nzd h ASP 85 Cb 0.34 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 2nzd h ASP 85 CO 0.00 -0.13 0.43 0.58 -1.72 0.00 0.00 179.24 178.41 2nzd h VAL 86 N -0.01 1.26 -0.24 -1.35 2.07 -1.23 -1.79 116.25 114.95 2nzd h VAL 86 Ca 0.17 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2nzd h VAL 86 Cb 0.28 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2nzd h VAL 86 CO -0.38 0.30 -0.07 0.58 0.02 0.00 0.00 177.57 178.02 2nzd h VAL 87 N 1.21 1.29 -0.82 2.57 2.07 0.15 -0.58 116.25 122.15 2nzd h VAL 87 Ca 0.30 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 2nzd h VAL 87 Cb 0.08 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2nzd h VAL 87 CO -0.04 0.34 0.47 1.88 0.02 0.00 0.00 177.57 180.24 2nzd h TYR 88 N 0.21 1.10 -0.20 1.57 0.99 -1.08 -0.15 116.97 119.41 2nzd h TYR 88 Ca 0.06 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.79 2nzd h TYR 88 Cb 0.55 -0.36 -0.02 0.00 1.00 0.00 0.00 36.73 37.90 2nzd h TYR 88 CO 0.05 0.75 0.08 0.00 -0.00 0.00 0.00 178.16 179.04 2nzd h ALA 89 N 1.38 0.23 -0.15 3.88 0.00 -1.08 -1.44 119.26 122.08 2nzd h ALA 89 Ca 0.29 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2nzd h ALA 89 Cb -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2nzd h ALA 89 CO -0.05 -0.34 0.07 -0.07 0.00 0.00 0.00 179.25 178.86 2nzd h LEU 90 N 0.19 0.11 -0.93 0.00 3.38 -0.69 -2.41 115.31 114.96 2nzd h LEU 90 Ca 0.08 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.16 2nzd h LEU 90 Cb 0.04 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 2nzd h LEU 90 CO -0.08 0.09 0.57 0.50 0.09 0.00 0.00 178.44 179.61 2nzd h LYS 91 N 0.16 0.90 -0.93 1.13 3.64 -0.66 -1.39 116.57 119.43 2nzd h LYS 91 Ca 0.06 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 2nzd h LYS 91 Cb 0.01 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 31.56 2nzd h LYS 91 CO -0.04 0.60 0.60 0.00 -2.27 0.00 0.00 179.45 178.33 2nzd h ARG 92 N 0.93 0.93 -0.57 1.90 3.08 -0.77 -1.78 114.38 118.10 2nzd h ARG 92 Ca 0.45 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.44 2nzd h ARG 92 Cb 0.40 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2nzd h ARG 92 CO -0.25 0.62 0.00 1.04 -1.07 0.00 0.00 179.97 180.31 2nzd n GLN 93 N -4.53 2.63 -2.09 0.04 6.02 -0.59 -4.92 117.38 113.94 2nzd n GLN 93 Ca 0.16 -1.86 -0.13 0.00 -0.01 0.00 0.00 57.00 55.16 2nzd n GLN 93 Cb 0.29 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 2nzd n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nzd n GLY 94 N 0.97 0.11 2.54 1.08 0.00 -0.67 -4.93 105.19 104.29 2nzd n GLY 94 Ca 0.17 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2nzd n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nzd n ARG 95 N -2.34 3.00 -1.62 1.61 5.12 -0.83 -5.03 116.66 116.57 2nzd n ARG 95 Ca -0.15 -4.31 -0.47 0.00 -1.93 0.00 0.00 57.85 50.99 2nzd n ARG 95 Cb 0.59 -2.07 -0.04 0.00 -1.16 0.00 0.00 32.46 29.78 2nzd n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2nzd n THR 96 N -0.38 0.85 -4.64 0.55 -1.04 -1.25 -4.50 114.28 103.86 2nzd n THR 96 Ca 0.33 -0.21 -0.26 0.00 -2.04 0.00 0.00 64.05 61.87 2nzd n THR 96 Cb 0.67 -1.10 -0.17 0.00 -1.82 0.00 0.00 70.33 67.91 2nzd n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2nzd s LEU 97 N 0.45 1.71 -0.04 -4.42 2.96 -1.26 -4.99 118.68 113.09 2nzd s LEU 97 Ca 0.72 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 54.23 2nzd s LEU 97 Cb -0.77 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2nzd s LEU 97 CO 0.51 0.04 0.14 -0.31 -1.32 0.00 0.00 176.35 175.41 2nzd s TYR 98 N 0.71 3.48 0.00 5.38 2.02 -1.26 -4.68 117.35 123.00 2nzd s TYR 98 Ca -0.13 0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2nzd s TYR 98 Cb -0.16 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 2nzd s TYR 98 CO 0.03 0.64 0.00 0.41 -1.57 0.00 0.00 175.55 175.06 2nzd n GLY 99 N 1.37 1.42 1.04 0.71 0.00 -1.26 -5.01 105.19 103.46 2nzd n GLY 99 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 2nzd n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2nzd n PHE 100 N -0.69 0.00 -0.14 1.61 3.01 -1.26 -4.93 117.46 115.06 2nzd n PHE 100 Ca 0.00 -0.73 0.00 0.00 1.01 0.00 0.00 57.45 57.73 2nzd n PHE 100 Cb 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 2nzd n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2nzd n GLY 101 N -0.11 0.60 0.00 1.37 0.00 -1.26 -4.62 105.19 101.16 2nzd n GLY 101 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2nzd n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93