#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkv s LYS 3 N 0.00 2.23 -0.09 3.52 -0.14 -1.26 -5.08 119.74 118.92 1tkv s LYS 3 Ca 0.00 -1.61 -0.10 0.00 -1.36 0.00 0.00 55.97 52.90 1tkv s LYS 3 Cb 0.00 -2.06 -0.07 0.00 -1.68 0.00 0.00 37.83 34.01 1tkv s LYS 3 CO 0.00 0.17 0.34 -0.91 -0.76 0.00 0.00 175.35 174.19 1tkv h ASN 4 N 1.72 -0.12 -0.90 2.83 2.35 -1.97 -3.39 115.58 116.10 1tkv h ASN 4 Ca -0.43 -0.17 0.17 0.00 -0.55 0.00 0.00 56.30 55.31 1tkv h ASN 4 Cb 1.25 0.03 -0.16 0.00 0.05 0.00 0.00 38.32 39.49 1tkv h ASN 4 CO 0.64 0.44 -0.26 0.00 -1.65 0.00 0.00 177.43 176.60 1tkv n ILE 5 N -4.85 -0.41 0.17 2.81 3.06 -1.26 -1.35 119.36 117.54 1tkv n ILE 5 Ca -0.04 2.08 0.16 0.00 -2.50 0.00 0.00 62.75 62.45 1tkv n ILE 5 Cb 0.14 -2.84 0.75 0.00 0.54 0.00 0.00 39.64 38.24 1tkv n ILE 5 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1tkv h ASP 6 N 0.00 0.00 0.34 9.51 3.32 -1.99 0.87 116.42 128.47 1tkv h ASP 6 Ca 0.40 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.21 1tkv h ASP 6 Cb 0.62 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 1tkv h ASP 6 CO -0.92 0.00 -1.87 0.41 -1.72 0.00 0.00 179.24 175.14 1tkv n THR 7 N -4.13 1.20 -0.18 0.35 -1.04 -0.45 -3.10 114.28 106.93 1tkv n THR 7 Ca 0.02 -0.75 -0.09 0.00 -2.04 0.00 0.00 64.05 61.20 1tkv n THR 7 Cb 0.33 -0.62 0.01 0.00 -1.82 0.00 0.00 70.33 68.23 1tkv n THR 7 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1tkv h VAL 8 N 0.00 1.23 -0.09 12.58 2.07 -0.83 -2.84 116.25 128.38 1tkv h VAL 8 Ca -0.30 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.46 1tkv h VAL 8 Cb 1.83 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 1tkv h VAL 8 CO 0.04 0.29 -0.21 -0.09 0.02 0.00 0.00 177.57 177.62 1tkv h ARG 9 N 0.70 -0.28 -0.25 1.57 2.43 -0.96 0.38 114.38 117.96 1tkv h ARG 9 Ca 0.16 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 1tkv h ARG 9 Cb 0.29 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1tkv h ARG 9 CO -0.00 -0.19 -0.31 1.05 -1.51 0.00 0.00 179.97 179.01 1tkv h GLU 10 N -0.29 0.53 0.00 0.20 4.11 -1.61 -3.15 114.58 114.37 1tkv h GLU 10 Ca 0.09 -0.23 -0.14 0.00 0.07 0.00 0.00 59.36 59.15 1tkv h GLU 10 Cb 0.42 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1tkv h GLU 10 CO -0.26 0.78 -0.68 0.82 0.07 0.00 0.00 179.01 179.74 1tkv h ILE 11 N 0.45 1.48 0.05 -1.06 2.04 -1.19 -2.77 117.51 116.52 1tkv h ILE 11 Ca 0.06 -2.34 0.02 0.00 1.00 0.00 0.00 64.86 63.60 1tkv h ILE 11 Cb 0.77 2.26 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 1tkv h ILE 11 CO 0.06 0.67 -0.47 0.40 0.00 0.00 0.00 178.15 178.81 1tkv h ILE 12 N 0.00 0.09 -0.41 -0.67 2.04 -0.24 0.28 117.51 118.59 1tkv h ILE 12 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1tkv h ILE 12 Cb 1.21 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 1tkv h ILE 12 CO 0.09 0.00 -0.03 0.71 0.00 0.00 0.00 178.15 178.92 1tkv h THR 13 N -0.66 0.66 -0.50 -0.27 1.35 -1.49 0.00 112.91 112.01 1tkv h THR 13 Ca 0.02 -0.03 0.10 0.00 -0.55 0.00 0.00 66.41 65.96 1tkv h THR 13 Cb 0.70 0.58 -0.08 0.00 -1.73 0.00 0.00 68.15 67.62 1tkv h THR 13 CO -0.31 0.01 -0.01 0.58 -0.25 0.00 0.00 175.52 175.55 1tkv h VAL 14 N 0.07 0.59 -0.71 6.82 2.07 -1.33 -1.89 116.25 121.88 1tkv h VAL 14 Ca 0.20 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1tkv h VAL 14 Cb 0.29 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1tkv h VAL 14 CO -0.36 0.02 0.32 0.00 0.02 0.00 0.00 177.57 177.57 1tkv h ALA 15 N 1.45 1.23 0.00 1.67 0.00 0.07 -1.12 119.26 122.57 1tkv h ALA 15 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1tkv h ALA 15 Cb 0.38 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1tkv h ALA 15 CO -0.43 0.58 -0.09 0.66 0.00 0.00 0.00 179.25 179.97 1tkv h SER 16 N 1.02 0.00 -0.45 0.00 4.64 -0.62 -2.82 113.55 115.30 1tkv h SER 16 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1tkv h SER 16 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1tkv h SER 16 CO -0.03 0.09 0.26 0.40 -0.87 0.00 0.00 176.83 176.68 1tkv h ILE 17 N 0.00 1.15 -0.17 0.95 1.08 -0.39 0.40 117.51 120.53 1tkv h ILE 17 Ca -0.00 -0.38 -0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1tkv h ILE 17 Cb 0.45 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 1tkv h ILE 17 CO 0.01 0.16 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.51 1tkv h LEU 18 N 0.60 0.23 0.16 1.44 4.07 -1.44 -1.01 115.31 119.36 1tkv h LEU 18 Ca 0.16 -0.03 -0.29 0.00 0.08 0.00 0.00 57.88 57.79 1tkv h LEU 18 Cb 0.03 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 41.72 1tkv h LEU 18 CO -0.03 0.32 -1.33 0.40 -1.08 0.00 0.00 178.44 176.72 1tkv h ILE 19 N 0.24 1.42 -0.37 1.22 2.04 -1.24 0.38 117.51 121.20 1tkv h ILE 19 Ca 0.05 -2.95 0.08 0.00 1.00 0.00 0.00 64.86 63.04 1tkv h ILE 19 Cb 0.25 2.96 -0.08 0.00 -0.74 0.00 0.00 36.82 39.21 1tkv h ILE 19 CO 0.01 0.87 -0.19 0.50 0.00 0.00 0.00 178.15 179.34 1tkv h LYS 20 N 0.09 -0.13 -0.10 2.37 3.11 0.03 -2.56 116.57 119.39 1tkv h LYS 20 Ca -0.17 0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.53 1tkv h LYS 20 Cb 2.03 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 33.28 1tkv h LYS 20 CO 0.22 -0.08 -0.58 0.74 -2.81 0.00 0.00 179.45 176.94 1tkv h PHE 21 N -0.13 0.40 -0.07 1.91 0.04 -1.21 -3.48 116.94 114.40 1tkv h PHE 21 Ca 0.18 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1tkv h PHE 21 Cb 0.41 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1tkv h PHE 21 CO -0.42 0.82 0.00 0.45 -0.60 0.00 0.00 178.31 178.56 1tkv n SER 22 N -3.90 -0.38 -2.32 2.17 2.88 -0.04 -5.02 113.62 107.01 1tkv n SER 22 Ca -0.03 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.20 1tkv n SER 22 Cb 0.60 -0.15 0.05 0.00 -0.75 0.00 0.00 64.21 63.96 1tkv n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1tkv n ARG 23 N -0.81 3.05 0.31 -1.46 5.12 0.11 -4.81 116.66 118.17 1tkv n ARG 23 Ca 0.00 -3.70 0.17 0.00 -1.93 0.00 0.00 57.85 52.39 1tkv n ARG 23 Cb 0.15 -2.28 0.98 0.00 -1.16 0.00 0.00 32.46 30.16 1tkv n ARG 23 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1tkv h GLU 24 N 2.23 0.00 -0.67 5.56 -0.00 -1.90 -2.92 114.58 116.88 1tkv h GLU 24 Ca 0.50 0.00 0.19 0.00 -0.00 0.00 0.00 59.36 60.06 1tkv h GLU 24 Cb 0.94 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.67 1tkv h GLU 24 CO 1.26 0.01 0.82 -0.44 -0.00 0.00 0.00 179.01 180.65 1tkv h ASP 25 N 0.00 0.00 -0.24 3.06 3.32 -1.93 0.23 116.42 120.86 1tkv h ASP 25 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1tkv h ASP 25 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1tkv h ASP 25 CO 0.00 0.00 -0.51 0.40 -1.72 0.00 0.00 179.24 177.41 1tkv h ILE 26 N 0.00 1.30 0.00 0.35 2.04 -1.92 -3.34 117.51 115.94 1tkv h ILE 26 Ca 0.32 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 1tkv h ILE 26 Cb 1.95 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 39.80 1tkv h ILE 26 CO -0.00 0.55 -0.11 0.58 0.00 0.00 0.00 178.15 179.16 1tkv h VAL 27 N 0.50 0.35 0.00 1.67 2.07 -0.76 -3.24 116.25 116.85 1tkv h VAL 27 Ca 0.00 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1tkv h VAL 27 Cb 1.13 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1tkv h VAL 27 CO 0.11 0.11 0.00 -1.84 0.02 0.00 0.00 177.57 175.97 1tkv n GLU 28 N -3.34 0.03 -4.23 1.57 0.28 -0.98 -4.61 120.64 109.36 1tkv n GLU 28 Ca -0.00 0.14 -0.25 0.00 -0.16 0.00 0.00 57.16 56.88 1tkv n GLU 28 Cb 0.32 -1.54 -0.17 0.00 1.43 0.00 0.00 31.44 31.48 1tkv n GLU 28 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1tkv s ASN 29 N -3.18 1.90 0.14 -1.84 3.84 -1.22 -4.79 114.94 109.78 1tkv s ASN 29 Ca 0.11 -0.29 -0.29 0.00 0.21 0.00 0.00 52.86 52.60 1tkv s ASN 29 Cb 0.14 -0.80 -0.05 0.00 -0.55 0.00 0.00 41.25 39.99 1tkv s ASN 29 CO 0.43 -0.05 1.57 -0.09 -2.79 0.00 0.00 177.10 176.17 1tkv h ARG 30 N 7.55 -0.42 0.00 0.43 2.43 -1.80 -1.88 114.38 120.70 1tkv h ARG 30 Ca -0.31 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1tkv h ARG 30 Cb 1.16 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1tkv h ARG 30 CO 0.44 -0.28 0.00 0.00 -1.51 0.00 0.00 179.97 178.62 1tkv h ALA 31 N 0.17 1.00 0.14 2.80 0.00 -1.95 -1.38 119.26 120.03 1tkv h ALA 31 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.69 1tkv h ALA 31 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tkv h ALA 31 CO -0.49 0.00 -1.54 -0.91 0.00 0.00 0.00 179.25 176.31 1tkv h ASN 32 N 0.00 0.45 -0.10 0.00 -0.26 -1.75 -2.90 115.58 111.02 1tkv h ASN 32 Ca 0.00 -0.61 -0.01 0.00 -0.56 0.00 0.00 56.30 55.12 1tkv h ASN 32 Cb 0.44 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1tkv h ASN 32 CO 0.00 1.51 0.04 0.15 -1.06 0.00 0.00 177.43 178.07 1tkv h PHE 33 N 0.08 0.16 -0.76 1.19 3.57 -1.08 -1.40 116.94 118.70 1tkv h PHE 33 Ca -0.25 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.29 1tkv h PHE 33 Cb 2.04 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 40.67 1tkv h PHE 33 CO 0.07 0.27 0.46 0.82 -2.23 0.00 0.00 178.31 177.70 1tkv h ILE 34 N -0.00 1.01 -0.13 1.41 2.04 -1.37 0.32 117.51 120.79 1tkv h ILE 34 Ca 0.03 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1tkv h ILE 34 Cb 0.18 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1tkv h ILE 34 CO -0.00 0.15 0.05 0.00 0.00 0.00 0.00 178.15 178.35 1tkv h ALA 35 N 1.37 1.85 -0.19 1.87 0.00 -1.44 -1.34 119.26 121.38 1tkv h ALA 35 Ca 0.34 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 1tkv h ALA 35 Cb 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1tkv h ALA 35 CO -0.17 0.13 -0.67 0.35 0.00 0.00 0.00 179.25 178.89 1tkv h PHE 36 N 0.17 1.04 -0.22 0.00 3.57 -0.06 -2.15 116.94 119.29 1tkv h PHE 36 Ca 0.05 -0.43 0.01 0.00 3.53 0.00 0.00 57.97 61.13 1tkv h PHE 36 Cb 0.05 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1tkv h PHE 36 CO 0.00 1.26 0.12 -0.07 -2.23 0.00 0.00 178.31 177.39 1tkv h LEU 37 N 0.53 0.19 -0.21 0.59 3.38 0.23 0.57 115.31 120.59 1tkv h LEU 37 Ca -0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1tkv h LEU 37 Cb 1.29 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1tkv h LEU 37 CO 0.14 0.14 0.05 0.78 0.09 0.00 0.00 178.44 179.64 1tkv h ASN 38 N 0.25 0.03 -0.01 -0.43 2.35 -1.33 -1.85 115.58 114.59 1tkv h ASN 38 Ca 0.09 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1tkv h ASN 38 Cb 0.01 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 1tkv h ASN 38 CO -0.05 0.04 -0.32 -0.08 -1.65 0.00 0.00 177.43 175.37 1tkv h GLU 39 N 0.13 -0.45 0.00 0.81 4.57 -1.13 -2.98 114.58 115.53 1tkv h GLU 39 Ca 0.09 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1tkv h GLU 39 Cb 0.08 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1tkv h GLU 39 CO -0.12 -0.30 0.00 -0.84 -1.18 0.00 0.00 179.01 176.57 1tkv h ILE 40 N -0.47 0.00 -0.81 2.32 -2.65 -0.95 -3.48 117.51 111.48 1tkv h ILE 40 Ca 0.06 -0.65 0.00 0.00 1.03 0.00 0.00 64.86 65.30 1tkv h ILE 40 Cb 0.56 1.63 0.00 0.00 -2.05 0.00 0.00 36.82 36.96 1tkv h ILE 40 CO -0.27 0.00 0.00 0.61 0.03 0.00 0.00 178.15 178.52 1tkv n GLY 41 N 1.11 0.68 3.50 0.16 0.00 -0.93 -5.05 105.19 104.65 1tkv n GLY 41 Ca 0.05 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1tkv n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tkv s VAL 42 N -2.21 4.68 -0.19 1.61 1.01 -0.74 -5.02 120.40 119.54 1tkv s VAL 42 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1tkv s VAL 42 Cb 0.00 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1tkv s VAL 42 CO 0.00 -0.85 0.02 0.42 0.00 0.00 0.00 175.10 174.70 1tkv s THR 43 N 3.17 4.32 0.00 3.92 -4.23 -1.26 -4.59 115.64 116.97 1tkv s THR 43 Ca 0.23 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 1tkv s THR 43 Cb -0.15 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1tkv s THR 43 CO 0.17 0.45 0.39 1.57 -0.54 0.00 0.00 174.62 176.65 1tkv n HIS 44 N 3.86 0.00 -1.61 3.99 -0.00 -1.05 -3.86 115.22 116.54 1tkv n HIS 44 Ca -0.17 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.67 1tkv n HIS 44 Cb 0.52 -0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.42 1tkv n HIS 44 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1tkv n GLU 45 N -0.51 2.60 -1.45 1.57 0.28 -1.26 -4.74 120.64 117.13 1tkv n GLU 45 Ca 0.00 -3.10 -0.16 0.00 -0.16 0.00 0.00 57.16 53.74 1tkv n GLU 45 Cb 0.00 -2.20 -0.07 0.00 1.43 0.00 0.00 31.44 30.60 1tkv n GLU 45 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tkv n GLY 46 N -0.32 1.49 3.44 -1.84 0.00 -1.25 -4.90 105.19 101.80 1tkv n GLY 46 Ca 0.53 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 1tkv n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tkv s ARG 47 N -3.31 1.61 0.71 1.61 1.81 -1.26 -5.03 118.95 115.09 1tkv s ARG 47 Ca 0.00 -1.87 -0.16 0.00 -1.72 0.00 0.00 55.73 51.98 1tkv s ARG 47 Cb 0.00 -0.91 0.03 0.00 -0.45 0.00 0.00 34.95 33.62 1tkv s ARG 47 CO 0.00 -0.14 1.21 0.15 -0.68 0.00 0.00 175.30 175.85 1tkv s LYS 48 N -3.86 2.25 -0.26 3.54 -0.14 -1.26 -2.54 119.74 117.48 1tkv s LYS 48 Ca 0.34 1.79 -0.03 0.00 -1.36 0.00 0.00 55.97 56.71 1tkv s LYS 48 Cb 0.08 -1.84 0.02 0.00 -1.68 0.00 0.00 37.83 34.40 1tkv s LYS 48 CO 0.14 -1.76 -0.03 -1.17 -0.76 0.00 0.00 175.35 171.78 1tkv s LEU 49 N -5.00 3.30 0.55 3.17 0.20 -1.26 -4.69 118.68 114.94 1tkv s LEU 49 Ca 0.75 -0.78 0.09 0.00 0.69 0.00 0.00 54.13 54.89 1tkv s LEU 49 Cb -0.30 -1.72 0.07 0.00 -0.43 0.00 0.00 46.19 43.81 1tkv s LEU 49 CO 0.44 -0.13 0.74 0.20 -0.29 0.00 0.00 176.35 177.31 1tkv s ASN 50 N 1.38 5.18 0.08 3.68 0.01 -1.26 -4.72 114.94 119.29 1tkv s ASN 50 Ca 0.01 -0.79 -0.12 0.00 -0.71 0.00 0.00 52.86 51.26 1tkv s ASN 50 Cb -0.16 0.14 -0.24 0.00 0.41 0.00 0.00 41.25 41.39 1tkv s ASN 50 CO -0.03 -1.23 1.17 1.56 -1.51 0.00 0.00 177.10 177.05 1tkv h GLN 51 N 0.28 0.58 -0.07 -0.60 4.20 -1.98 -1.19 115.11 116.31 1tkv h GLN 51 Ca -0.32 -0.71 -0.05 0.00 0.06 0.00 0.00 58.65 57.63 1tkv h GLN 51 Cb 1.29 0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.29 1tkv h GLN 51 CO 0.42 1.30 -0.14 -2.95 -0.67 0.00 0.00 178.83 176.80 1tkv h ASN 52 N 0.28 0.25 0.81 1.46 7.08 -2.00 -3.10 115.58 120.37 1tkv h ASN 52 Ca -0.15 -0.56 -0.04 0.00 -3.08 0.00 0.00 56.30 52.48 1tkv h ASN 52 Cb 1.80 -0.07 -0.01 0.00 -2.08 0.00 0.00 38.32 37.97 1tkv h ASN 52 CO 0.21 0.76 -0.17 0.28 -2.08 0.00 0.00 177.43 176.43 1tkv h SER 53 N -0.25 0.00 0.19 6.14 0.02 -1.97 -2.34 113.55 115.34 1tkv h SER 53 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1tkv h SER 53 Cb 0.71 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1tkv h SER 53 CO 0.03 0.17 -0.12 0.15 -1.14 0.00 0.00 176.83 175.92 1tkv h PHE 54 N 0.00 -0.30 0.00 3.45 3.57 -1.29 -2.81 116.94 119.56 1tkv h PHE 54 Ca -0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1tkv h PHE 54 Cb 0.62 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1tkv h PHE 54 CO 0.00 -0.18 -0.20 -0.09 -2.23 0.00 0.00 178.31 175.61 1tkv h ARG 55 N -0.30 0.00 -0.22 1.11 2.43 -1.35 -0.96 114.38 115.09 1tkv h ARG 55 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1tkv h ARG 55 Cb 0.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1tkv h ARG 55 CO 0.02 0.20 0.11 1.57 -1.51 0.00 0.00 179.97 180.36 1tkv h LYS 56 N 0.00 0.31 -0.19 0.20 2.10 -1.46 -2.27 116.57 115.26 1tkv h LYS 56 Ca -0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1tkv h LYS 56 Cb 0.39 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.65 1tkv h LYS 56 CO 0.03 0.32 0.12 -0.84 -2.00 0.00 0.00 179.45 177.08 1tkv h ILE 57 N 0.23 1.06 -0.17 0.07 3.07 -0.92 0.17 117.51 121.02 1tkv h ILE 57 Ca 0.08 -0.11 -0.19 0.00 1.55 0.00 0.00 64.86 66.18 1tkv h ILE 57 Cb 0.11 0.79 0.01 0.00 -0.27 0.00 0.00 36.82 37.45 1tkv h ILE 57 CO -0.01 0.05 -0.64 -0.37 -1.05 0.00 0.00 178.15 176.13 1tkv h VAL 58 N 0.25 1.30 0.17 0.16 -1.51 -1.56 -3.38 116.25 111.69 1tkv h VAL 58 Ca 0.07 -1.86 -0.35 0.00 -1.23 0.00 0.00 66.70 63.32 1tkv h VAL 58 Cb -0.02 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1tkv h VAL 58 CO -0.01 0.59 -1.81 0.28 -1.23 0.00 0.00 177.57 175.38 1tkv h SER 59 N 0.44 0.56 -0.14 4.19 0.02 -1.29 -3.37 113.55 113.95 1tkv h SER 59 Ca -0.03 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 59.99 1tkv h SER 59 Cb 1.27 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1tkv h SER 59 CO 0.13 1.79 0.00 -1.84 -1.14 0.00 0.00 176.83 175.78 1tkv n GLU 60 N -3.56 1.34 -1.60 3.45 0.28 0.58 -4.90 120.64 116.24 1tkv n GLU 60 Ca -0.26 -0.53 -0.41 0.00 -0.16 0.00 0.00 57.16 55.81 1tkv n GLU 60 Cb 1.07 -1.13 0.02 0.00 1.43 0.00 0.00 31.44 32.82 1tkv n GLU 60 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1tkv n LEU 61 N -0.09 2.61 -4.90 -1.84 4.77 -1.26 -4.99 117.00 111.30 1tkv n LEU 61 Ca 0.06 0.97 -0.28 0.00 -0.03 0.00 0.00 56.01 56.73 1tkv n LEU 61 Cb 0.13 -1.34 0.04 0.00 -2.33 0.00 0.00 43.42 39.92 1tkv n LEU 61 CO 0.04 -1.68 0.65 0.42 -1.33 0.00 0.00 177.39 175.49 1tkv s THR 62 N -1.35 3.50 0.28 -5.08 -4.23 -1.26 -4.96 115.64 102.54 1tkv s THR 62 Ca 0.66 0.24 -0.03 0.00 -1.18 0.00 0.00 61.69 61.38 1tkv s THR 62 Cb -0.53 -3.45 0.27 0.00 1.34 0.00 0.00 72.50 70.13 1tkv s THR 62 CO 0.55 -0.53 1.93 1.56 -0.54 0.00 0.00 174.62 177.59 1tkv h GLN 63 N -0.45 1.17 0.00 3.99 4.20 -2.00 -2.43 115.11 119.60 1tkv h GLN 63 Ca -0.45 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.14 1tkv h GLN 63 Cb 1.26 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1tkv h GLN 63 CO 0.62 0.77 -0.21 0.93 -0.67 0.00 0.00 178.83 180.27 1tkv h GLU 64 N 1.20 0.00 -0.01 1.46 4.39 -1.98 -1.04 114.58 118.60 1tkv h GLU 64 Ca 0.36 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.95 1tkv h GLU 64 Cb -0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1tkv h GLU 64 CO -0.10 0.21 -0.52 -0.44 -1.16 0.00 0.00 179.01 177.00 1tkv h ASP 65 N 0.00 0.04 0.04 1.42 3.32 -1.82 -1.86 116.42 117.57 1tkv h ASP 65 Ca -0.00 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1tkv h ASP 65 Cb 0.55 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1tkv h ASP 65 CO 0.03 0.56 -0.46 0.11 -1.72 0.00 0.00 179.24 177.75 1tkv h LYS 66 N 0.03 0.09 -1.01 3.56 1.57 -1.11 -2.54 116.57 117.16 1tkv h LYS 66 Ca -0.00 -0.16 0.25 0.00 -1.87 0.00 0.00 60.65 58.87 1tkv h LYS 66 Cb 0.93 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.18 1tkv h LYS 66 CO 0.07 1.08 0.60 0.87 -0.57 0.00 0.00 179.45 181.50 1tkv h LYS 67 N -0.79 0.54 -0.81 3.15 1.79 -1.28 0.02 116.57 119.18 1tkv h LYS 67 Ca -0.10 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1tkv h LYS 67 Cb 1.25 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.74 1tkv h LYS 67 CO 0.02 0.36 0.49 1.15 -1.08 0.00 0.00 179.45 180.38 1tkv h THR 68 N 0.55 1.23 -0.59 -0.16 2.02 -1.30 -0.33 112.91 114.33 1tkv h THR 68 Ca 0.65 -0.50 -0.10 0.00 0.77 0.00 0.00 66.41 67.23 1tkv h THR 68 Cb 1.28 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1tkv h THR 68 CO -0.47 0.24 -0.01 -0.07 0.37 0.00 0.00 175.52 175.58 1tkv h LEU 69 N 1.12 1.04 -1.60 2.58 3.38 -0.80 -2.97 115.31 118.06 1tkv h LEU 69 Ca 0.29 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1tkv h LEU 69 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1tkv h LEU 69 CO -0.05 1.10 -0.01 0.40 0.09 0.00 0.00 178.44 179.97 1tkv h ILE 70 N 0.95 1.12 -0.48 1.22 2.04 -0.66 -0.88 117.51 120.81 1tkv h ILE 70 Ca 0.17 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1tkv h ILE 70 Cb 0.57 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1tkv h ILE 70 CO 0.03 0.15 0.16 0.44 0.00 0.00 0.00 178.15 178.93 1tkv h ASP 71 N 0.24 0.69 0.48 1.72 3.32 -0.91 -3.36 116.42 118.61 1tkv h ASP 71 Ca 0.06 -0.20 -0.28 0.00 0.02 0.00 0.00 57.03 56.63 1tkv h ASP 71 Cb 0.18 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1tkv h ASP 71 CO 0.00 0.71 -1.72 -0.62 -1.72 0.00 0.00 179.24 175.90 1tkv n GLU 72 N -4.53 0.63 -3.53 3.56 1.02 -1.02 -4.65 120.64 112.13 1tkv n GLU 72 Ca 0.01 0.26 -0.27 0.00 -0.02 0.00 0.00 57.16 57.14 1tkv n GLU 72 Cb 0.19 -1.77 -0.10 0.00 -0.02 0.00 0.00 31.44 29.73 1tkv n GLU 72 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1tkv n PHE 73 N -2.99 1.26 0.05 -0.32 3.01 -0.37 -4.99 117.46 113.11 1tkv n PHE 73 Ca -0.17 -3.81 -0.02 0.00 1.01 0.00 0.00 57.45 54.46 1tkv n PHE 73 Cb 1.02 -0.26 -0.01 0.00 -0.01 0.00 0.00 39.48 40.23 1tkv n PHE 73 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1tkv h ASN 74 N 5.06 -0.12 -0.33 4.37 -0.26 -1.82 -1.83 115.58 120.65 1tkv h ASN 74 Ca 0.19 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.94 1tkv h ASN 74 Cb 0.81 0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 38.08 1tkv h ASN 74 CO 0.57 -0.03 0.20 -0.33 -1.06 0.00 0.00 177.43 176.78 1tkv h GLU 75 N -0.24 0.40 0.26 0.81 5.08 -1.94 -3.07 114.58 115.89 1tkv h GLU 75 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1tkv h GLU 75 Cb 0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1tkv h GLU 75 CO 0.02 0.27 -0.49 0.78 -1.00 0.00 0.00 179.01 178.59 1tkv h GLY 76 N 0.41 -1.20 2.00 -3.84 0.00 -1.97 -3.17 103.07 95.31 1tkv h GLY 76 Ca 0.13 0.61 -0.14 0.00 0.00 0.00 0.00 47.33 47.93 1tkv h GLY 76 CO -0.05 -0.32 -0.68 -2.75 0.00 0.00 0.00 176.54 172.75 1tkv h PHE 77 N -0.80 0.00 -0.07 5.60 3.04 -1.40 -0.30 116.94 123.00 1tkv h PHE 77 Ca -0.03 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.95 1tkv h PHE 77 Cb 0.75 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.21 1tkv h PHE 77 CO -0.36 0.68 -0.54 0.93 -2.02 0.00 0.00 178.31 177.00 1tkv h GLU 78 N 0.00 -0.60 0.39 1.11 5.08 -1.56 0.52 114.58 119.51 1tkv h GLU 78 Ca -0.01 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1tkv h GLU 78 Cb 1.39 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1tkv h GLU 78 CO 0.09 -0.40 -0.19 0.78 -1.00 0.00 0.00 179.01 178.29 1tkv h GLY 79 N -0.63 -0.54 2.00 -3.84 0.00 -1.50 -3.13 103.07 95.44 1tkv h GLY 79 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1tkv h GLY 79 CO -0.39 -0.20 0.00 -0.39 0.00 0.00 0.00 176.54 175.56 1tkv h VAL 80 N -0.55 0.00 0.00 4.60 -1.51 -1.07 -1.90 116.25 115.82 1tkv h VAL 80 Ca -0.05 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1tkv h VAL 80 Cb 0.40 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1tkv h VAL 80 CO 0.09 0.00 -0.35 0.00 -1.23 0.00 0.00 177.57 176.08 1tkv n TYR 81 N -2.91 0.09 -0.16 5.19 9.36 0.17 0.02 117.16 128.92 1tkv n TYR 81 Ca 0.01 0.03 -0.10 0.00 3.32 0.00 0.00 57.90 61.15 1tkv n TYR 81 Cb 0.29 -0.39 -0.00 0.00 -0.63 0.00 0.00 39.34 38.61 1tkv n TYR 81 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1tkv h ARG 82 N 0.00 0.83 -0.03 2.98 2.47 -1.28 -3.11 114.38 116.23 1tkv h ARG 82 Ca 0.00 -0.27 -0.04 0.00 -1.26 0.00 0.00 59.98 58.41 1tkv h ARG 82 Cb 0.53 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1tkv h ARG 82 CO 0.00 0.89 -0.13 1.88 0.56 0.00 0.00 179.97 183.17 1tkv h TYR 83 N 0.68 0.20 -0.22 3.04 -1.99 -1.44 -2.53 116.97 114.70 1tkv h TYR 83 Ca 0.13 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.73 1tkv h TYR 83 Cb 0.52 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 1tkv h TYR 83 CO 0.04 0.76 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.83 1tkv h LEU 84 N -0.42 0.32 0.28 3.88 3.38 -0.54 -2.91 115.31 119.29 1tkv h LEU 84 Ca -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1tkv h LEU 84 Cb 0.77 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1tkv h LEU 84 CO 0.03 0.43 -0.13 -0.08 0.09 0.00 0.00 178.44 178.78 1tkv h GLU 85 N 0.33 -0.36 -0.87 1.13 4.81 -1.52 -3.35 114.58 114.75 1tkv h GLU 85 Ca 0.07 0.02 0.35 0.00 -0.13 0.00 0.00 59.36 59.68 1tkv h GLU 85 Cb 0.33 0.08 -0.16 0.00 0.63 0.00 0.00 28.75 29.63 1tkv h GLU 85 CO 0.01 -0.24 0.43 0.00 -0.73 0.00 0.00 179.01 178.48 1tkv n MET 86 N -4.11 -0.05 -0.08 1.92 0.00 -0.96 -1.15 117.12 112.69 1tkv n MET 86 Ca -0.05 1.22 0.06 0.00 0.00 0.00 0.00 57.70 58.93 1tkv n MET 86 Cb 0.15 -2.16 0.25 0.00 0.00 0.00 0.00 33.22 31.45 1tkv n MET 86 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1tkv n TYR 87 N -5.01 0.22 -2.92 3.17 4.01 -1.10 -3.47 117.16 112.06 1tkv n TYR 87 Ca 0.32 -0.11 -0.14 0.00 -0.16 0.00 0.00 57.90 57.81 1tkv n TYR 87 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.11 1tkv n TYR 87 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1tkv n THR 88 N 0.03 0.46 -3.09 -0.72 5.66 -0.30 -3.11 114.28 113.19 1tkv n THR 88 Ca 0.11 -3.86 -0.41 0.00 -3.05 0.00 0.00 64.05 56.84 1tkv n THR 88 Cb 0.20 0.16 -0.06 0.00 -1.55 0.00 0.00 70.33 69.09 1tkv n THR 88 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1tkv s ASN 89 N -2.79 6.62 0.00 1.09 0.02 -1.23 -4.99 114.94 113.66 1tkv s ASN 89 Ca 0.34 0.76 0.00 0.00 -1.02 0.00 0.00 52.86 52.94 1tkv s ASN 89 Cb 0.40 -2.35 0.00 0.00 0.02 0.00 0.00 41.25 39.33 1tkv s ASN 89 CO -0.02 -0.36 0.49 0.29 0.02 0.00 0.00 177.10 177.51