#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkv n LYS 3 N 0.00 4.00 0.05 3.52 4.01 -1.26 -5.03 118.16 123.45 1tkv n LYS 3 Ca 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.76 1tkv n LYS 3 Cb 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.50 1tkv n LYS 3 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1tkv h ASN 4 N 0.00 -0.20 -1.11 4.39 4.21 -1.99 -3.38 115.58 117.50 1tkv h ASN 4 Ca 0.00 0.01 0.40 0.00 1.21 0.00 0.00 56.30 57.92 1tkv h ASN 4 Cb 0.00 0.05 -0.13 0.00 -1.12 0.00 0.00 38.32 37.12 1tkv h ASN 4 CO 0.00 0.23 0.69 0.00 -1.29 0.00 0.00 177.43 177.06 1tkv n ILE 5 N -4.67 -0.26 -0.11 2.81 3.06 -1.26 -0.73 119.36 118.19 1tkv n ILE 5 Ca -0.03 1.63 -0.11 0.00 -2.50 0.00 0.00 62.75 61.74 1tkv n ILE 5 Cb 0.09 -2.66 -0.03 0.00 0.54 0.00 0.00 39.64 37.58 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 0.64 -0.23 9.51 3.32 -1.98 -0.62 116.42 127.05 1tkv h ASP 6 Ca 0.76 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 57.33 1tkv h ASP 6 Cb 2.34 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 41.71 1tkv h ASP 6 CO -0.48 0.86 -0.31 0.74 -1.72 0.00 0.00 179.24 178.33 1tkv h THR 7 N 0.41 1.32 -1.00 0.35 2.02 -1.12 -2.97 112.91 111.91 1tkv h THR 7 Ca 0.08 -1.50 0.07 0.00 0.77 0.00 0.00 66.41 65.83 1tkv h THR 7 Cb 0.58 1.74 -0.07 0.00 -1.74 0.00 0.00 68.15 68.66 1tkv h THR 7 CO 0.03 0.47 0.65 0.58 0.37 0.00 0.00 175.52 177.62 1tkv h VAL 8 N 0.32 1.09 -0.56 3.16 2.07 -1.27 -0.96 116.25 120.10 1tkv h VAL 8 Ca 0.03 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1tkv h VAL 8 Cb 0.89 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1tkv h VAL 8 CO 0.07 0.21 0.10 -0.09 0.02 0.00 0.00 177.57 177.89 1tkv h ARG 9 N 1.18 0.88 -0.08 1.57 2.43 -1.11 -1.48 114.38 117.77 1tkv h ARG 9 Ca 0.43 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 59.29 1tkv h ARG 9 Cb 0.17 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1tkv h ARG 9 CO -0.17 0.81 -0.46 1.05 -1.51 0.00 0.00 179.97 179.69 1tkv h GLU 10 N 0.84 0.19 0.00 0.20 4.11 -1.03 -2.40 114.58 116.48 1tkv h GLU 10 Ca 0.18 -0.10 -0.07 0.00 0.07 0.00 0.00 59.36 59.44 1tkv h GLU 10 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1tkv h GLU 10 CO 0.01 0.61 -0.31 0.82 0.07 0.00 0.00 179.01 180.21 1tkv h ILE 11 N 0.15 0.63 -0.53 -1.06 2.04 -1.27 -3.04 117.51 114.43 1tkv h ILE 11 Ca 0.01 -1.53 -0.05 0.00 1.00 0.00 0.00 64.86 64.29 1tkv h ILE 11 Cb 0.88 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.97 1tkv h ILE 11 CO 0.07 0.30 0.14 0.40 0.00 0.00 0.00 178.15 179.06 1tkv h ILE 12 N 0.00 1.24 0.24 -0.67 2.04 -0.76 0.26 117.51 119.86 1tkv h ILE 12 Ca -0.00 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1tkv h ILE 12 Cb 1.01 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1tkv h ILE 12 CO 0.04 0.31 -0.12 0.71 0.00 0.00 0.00 178.15 179.10 1tkv h THR 13 N 0.74 0.82 -0.71 -0.27 1.35 -1.55 -2.24 112.91 111.06 1tkv h THR 13 Ca 0.17 -0.42 0.14 0.00 -0.55 0.00 0.00 66.41 65.75 1tkv h THR 13 Cb 0.33 1.06 -0.13 0.00 -1.73 0.00 0.00 68.15 67.68 1tkv h THR 13 CO 0.00 0.09 -0.19 0.58 -0.25 0.00 0.00 175.52 175.75 1tkv h VAL 14 N -0.54 0.27 -0.31 6.82 2.07 -1.51 -1.25 116.25 121.81 1tkv h VAL 14 Ca -0.03 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1tkv h VAL 14 Cb 0.40 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1tkv h VAL 14 CO 0.05 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.54 1tkv h ALA 15 N 1.65 1.24 0.00 1.67 0.00 -0.92 -1.94 119.26 120.96 1tkv h ALA 15 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1tkv h ALA 15 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1tkv h ALA 15 CO -0.73 0.50 0.00 0.66 0.00 0.00 0.00 179.25 179.67 1tkv h SER 16 N 0.48 0.00 0.32 0.00 4.64 -0.68 -2.31 113.55 116.01 1tkv h SER 16 Ca 0.09 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1tkv h SER 16 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1tkv h SER 16 CO 0.03 0.00 -0.15 0.40 -0.87 0.00 0.00 176.83 176.23 1tkv h ILE 17 N 0.00 0.70 -0.68 0.95 1.08 -0.45 0.36 117.51 119.47 1tkv h ILE 17 Ca 0.00 -0.13 0.05 0.00 -0.39 0.00 0.00 64.86 64.38 1tkv h ILE 17 Cb 0.46 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 1tkv h ILE 17 CO 0.00 0.03 0.40 -0.07 -0.69 0.00 0.00 178.15 177.82 1tkv h LEU 18 N -0.50 0.62 -1.02 1.44 4.07 -1.39 -1.81 115.31 116.71 1tkv h LEU 18 Ca -0.04 0.02 -0.10 0.00 0.08 0.00 0.00 57.88 57.84 1tkv h LEU 18 Cb 0.38 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1tkv h LEU 18 CO 0.07 0.41 -0.37 0.40 -1.08 0.00 0.00 178.44 177.87 1tkv h ILE 19 N 0.75 1.29 -0.97 1.22 2.04 -1.37 0.44 117.51 120.91 1tkv h ILE 19 Ca 0.30 -1.41 0.05 0.00 1.00 0.00 0.00 64.86 64.79 1tkv h ILE 19 Cb 0.13 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 1tkv h ILE 19 CO -0.16 0.42 0.63 0.50 0.00 0.00 0.00 178.15 179.54 1tkv h LYS 20 N 0.19 1.13 -0.31 2.37 3.64 -0.11 -2.06 116.57 121.41 1tkv h LYS 20 Ca 0.02 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1tkv h LYS 20 Cb 0.75 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1tkv h LYS 20 CO 0.06 0.75 0.00 1.19 -2.27 0.00 0.00 179.45 179.17 1tkv n PHE 21 N -4.47 0.41 -2.22 1.91 3.72 -0.83 -4.93 117.46 111.04 1tkv n PHE 21 Ca 0.14 -0.21 -0.19 0.00 -0.05 0.00 0.00 57.45 57.15 1tkv n PHE 21 Cb 0.15 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 1tkv n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tkv n SER 22 N 0.56 -5.42 -2.48 4.37 2.88 -0.65 -4.95 113.62 107.93 1tkv n SER 22 Ca 0.14 0.07 -0.34 0.00 -1.33 0.00 0.00 58.87 57.41 1tkv n SER 22 Cb 0.34 -4.49 0.05 0.00 -0.75 0.00 0.00 64.21 59.36 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 -2.75 2.58 0.25 -1.46 5.12 0.15 -4.74 116.66 115.81 1tkv n ARG 23 Ca -0.22 -3.08 0.17 0.00 -1.93 0.00 0.00 57.85 52.80 1tkv n ARG 23 Cb 0.66 -2.19 0.79 0.00 -1.16 0.00 0.00 32.46 30.56 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 2.35 0.00 -0.74 5.56 -0.00 -1.91 -2.84 114.58 117.01 1tkv h GLU 24 Ca 0.54 0.00 0.21 0.00 -0.00 0.00 0.00 59.36 60.11 1tkv h GLU 24 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.28 1tkv h GLU 24 CO 1.38 0.00 0.53 -0.44 -0.00 0.00 0.00 179.01 180.48 1tkv h ASP 25 N 0.00 0.03 -0.02 3.06 3.32 -1.96 0.29 116.42 121.13 1tkv h ASP 25 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1tkv h ASP 25 Cb 0.26 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1tkv h ASP 25 CO 0.00 0.01 -0.06 0.40 -1.72 0.00 0.00 179.24 177.87 1tkv h ILE 26 N 0.03 1.49 -0.63 0.35 2.04 -1.89 -3.34 117.51 115.57 1tkv h ILE 26 Ca 0.35 -1.54 0.02 0.00 1.00 0.00 0.00 64.86 64.69 1tkv h ILE 26 Cb 1.37 2.48 -0.04 0.00 -0.74 0.00 0.00 36.82 39.89 1tkv h ILE 26 CO -0.01 0.41 0.40 0.58 0.00 0.00 0.00 178.15 179.53 1tkv h VAL 27 N -0.54 1.11 0.00 1.67 2.07 -1.54 -3.21 116.25 115.82 1tkv h VAL 27 Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1tkv h VAL 27 Cb 0.70 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1tkv h VAL 27 CO 0.01 0.15 0.39 -0.08 0.02 0.00 0.00 177.57 178.06 1tkv h GLU 28 N 0.80 0.00 -4.81 1.57 4.22 -1.08 -3.39 114.58 111.89 1tkv h GLU 28 Ca 0.24 0.00 -0.61 0.00 0.08 0.00 0.00 59.36 59.07 1tkv h GLU 28 Cb -0.03 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.87 1tkv h GLU 28 CO -0.08 0.00 -0.84 1.21 -2.18 0.00 0.00 179.01 177.12 1tkv s ASN 29 N -3.77 2.68 0.30 1.04 3.84 -1.21 -4.77 114.94 113.05 1tkv s ASN 29 Ca -0.02 -0.49 0.01 0.00 0.21 0.00 0.00 52.86 52.56 1tkv s ASN 29 Cb 0.05 -1.21 0.72 0.00 -0.55 0.00 0.00 41.25 40.27 1tkv s ASN 29 CO 0.17 0.00 1.57 -0.09 -2.79 0.00 0.00 177.10 175.96 1tkv h ARG 30 N 7.66 0.01 0.00 0.43 2.43 -1.74 -1.61 114.38 121.55 1tkv h ARG 30 Ca -0.35 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.63 1tkv h ARG 30 Cb 1.16 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 1tkv h ARG 30 CO 0.52 0.01 -1.35 0.00 -1.51 0.00 0.00 179.97 177.64 1tkv h ALA 31 N 1.98 0.66 -0.14 2.80 0.00 -1.94 -1.65 119.26 120.98 1tkv h ALA 31 Ca 0.58 -0.97 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 1tkv h ALA 31 Cb 1.18 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1tkv h ALA 31 CO -0.93 1.08 -0.59 -0.91 0.00 0.00 0.00 179.25 177.90 1tkv h ASN 32 N 0.00 0.52 0.03 0.00 2.35 -1.82 0.02 115.58 116.67 1tkv h ASN 32 Ca -0.16 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1tkv h ASN 32 Cb 1.69 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.91 1tkv h ASN 32 CO 0.06 0.99 -0.01 0.15 -1.65 0.00 0.00 177.43 176.97 1tkv h PHE 33 N 0.35 -0.03 -0.90 1.19 3.57 -1.22 -1.57 116.94 118.32 1tkv h PHE 33 Ca -0.00 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1tkv h PHE 33 Cb 1.13 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.80 1tkv h PHE 33 CO 0.04 0.32 0.53 0.82 -2.23 0.00 0.00 178.31 177.79 1tkv h ILE 34 N -0.40 0.91 -0.45 1.41 2.04 -1.29 0.29 117.51 120.03 1tkv h ILE 34 Ca -0.00 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 1tkv h ILE 34 Cb 0.37 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1tkv h ILE 34 CO 0.01 0.16 -0.19 0.00 0.00 0.00 0.00 178.15 178.13 1tkv h ALA 35 N 1.49 0.82 -0.88 1.87 0.00 -0.89 -2.74 119.26 118.93 1tkv h ALA 35 Ca 0.44 -0.37 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1tkv h ALA 35 Cb 0.42 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1tkv h ALA 35 CO -0.26 0.65 0.57 0.35 0.00 0.00 0.00 179.25 180.56 1tkv h PHE 36 N 0.77 0.88 -0.72 0.00 3.57 -0.50 -1.65 116.94 119.29 1tkv h PHE 36 Ca 0.11 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.73 1tkv h PHE 36 Cb 0.72 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.11 1tkv h PHE 36 CO 0.04 0.36 0.35 -0.07 -2.23 0.00 0.00 178.31 176.77 1tkv h LEU 37 N 0.78 0.45 -0.34 0.59 3.38 -0.15 -1.16 115.31 118.85 1tkv h LEU 37 Ca 0.43 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1tkv h LEU 37 Cb 0.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1tkv h LEU 37 CO -0.19 0.25 0.00 0.59 0.09 0.00 0.00 178.44 179.18 1tkv n ASN 38 N -4.88 0.76 -0.03 -0.43 3.02 -0.83 -1.10 115.26 111.78 1tkv n ASN 38 Ca 0.12 0.62 -0.13 0.00 -0.03 0.00 0.00 54.58 55.16 1tkv n ASN 38 Cb 0.29 -0.81 -0.11 0.00 -0.61 0.00 0.00 39.78 38.55 1tkv n ASN 38 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1tkv h GLU 39 N 0.00 -0.02 0.00 3.52 4.39 -0.32 -3.38 114.58 118.76 1tkv h GLU 39 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tkv h GLU 39 Cb 0.56 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1tkv h GLU 39 CO 0.00 0.66 -0.93 0.44 -1.16 0.00 0.00 179.01 178.02 1tkv n ILE 40 N -4.76 0.06 -0.32 3.13 -0.00 -0.85 -4.96 119.36 111.65 1tkv n ILE 40 Ca -0.09 -0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 1tkv n ILE 40 Cb 0.34 0.49 0.00 0.00 -0.00 0.00 0.00 39.64 40.47 1tkv n ILE 40 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1tkv n GLY 41 N 1.44 1.70 3.62 3.28 0.00 -0.75 -5.06 105.19 109.42 1tkv n GLY 41 Ca 0.03 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.01 3.73 0.27 1.61 1.01 -0.25 -5.00 120.40 119.75 1tkv s VAL 42 Ca 0.00 0.80 0.08 0.00 0.00 0.00 0.00 61.98 62.86 1tkv s VAL 42 Cb 0.00 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1tkv s VAL 42 CO 0.00 -0.41 0.13 0.42 0.00 0.00 0.00 175.10 175.24 1tkv s THR 43 N 5.49 3.94 0.00 3.92 -4.23 -1.26 -4.37 115.64 119.12 1tkv s THR 43 Ca 0.70 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1tkv s THR 43 Cb -0.22 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1tkv s THR 43 CO 0.30 -0.33 0.00 1.57 -0.54 0.00 0.00 174.62 175.62 1tkv n HIS 44 N -1.10 0.00 -1.54 3.99 -0.00 -1.01 -4.69 115.22 110.87 1tkv n HIS 44 Ca -0.07 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.83 1tkv n HIS 44 Cb 0.59 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.40 1tkv n HIS 44 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1tkv n GLU 45 N 0.00 2.72 -0.86 1.57 1.02 -1.26 -4.65 120.64 119.18 1tkv n GLU 45 Ca 0.00 -2.45 0.00 0.00 -0.02 0.00 0.00 57.16 54.69 1tkv n GLU 45 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.21 1tkv n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tkv n GLY 46 N 1.08 0.50 3.54 0.62 0.00 -1.26 -5.01 105.19 104.66 1tkv n GLY 46 Ca 0.51 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.54 1.97 0.17 1.61 1.81 -1.26 -5.03 118.95 117.68 1tkv s ARG 47 Ca 0.00 -1.14 -0.32 0.00 -1.72 0.00 0.00 55.73 52.55 1tkv s ARG 47 Cb 0.00 -2.19 -0.10 0.00 -0.45 0.00 0.00 34.95 32.20 1tkv s ARG 47 CO 0.00 0.48 1.61 0.15 -0.68 0.00 0.00 175.30 176.86 1tkv s LYS 48 N -2.32 4.19 -0.08 3.54 -0.14 -1.26 -2.41 119.74 121.27 1tkv s LYS 48 Ca 0.21 2.41 -0.30 0.00 -1.36 0.00 0.00 55.97 56.94 1tkv s LYS 48 Cb -0.10 -3.16 -0.02 0.00 -1.68 0.00 0.00 37.83 32.87 1tkv s LYS 48 CO 0.13 -0.65 1.00 -1.17 -0.76 0.00 0.00 175.35 173.90 1tkv s LEU 49 N 1.24 4.28 0.27 3.17 0.20 -1.26 -4.86 118.68 121.71 1tkv s LEU 49 Ca 0.71 1.56 0.06 0.00 0.69 0.00 0.00 54.13 57.15 1tkv s LEU 49 Cb -0.45 -3.56 -0.02 0.00 -0.43 0.00 0.00 46.19 41.73 1tkv s LEU 49 CO 0.31 -0.40 0.39 0.20 -0.29 0.00 0.00 176.35 176.57 1tkv s ASN 50 N 1.08 6.19 0.14 3.68 0.01 -1.26 -4.86 114.94 119.91 1tkv s ASN 50 Ca 0.49 -0.02 -0.11 0.00 -0.71 0.00 0.00 52.86 52.51 1tkv s ASN 50 Cb -0.19 -1.64 -0.06 0.00 0.41 0.00 0.00 41.25 39.77 1tkv s ASN 50 CO 0.20 -0.19 1.44 1.56 -1.51 0.00 0.00 177.10 178.60 1tkv h GLN 51 N 1.08 0.92 0.05 -0.60 4.20 -1.96 0.34 115.11 119.14 1tkv h GLN 51 Ca -0.50 -0.53 -0.25 0.00 0.06 0.00 0.00 58.65 57.43 1tkv h GLN 51 Cb 1.24 0.04 0.01 0.00 0.30 0.00 0.00 27.48 29.07 1tkv h GLN 51 CO 0.58 1.18 -1.07 -2.95 -0.67 0.00 0.00 178.83 175.89 1tkv h ASN 52 N 0.73 0.59 0.83 1.46 -1.07 -2.00 -3.17 115.58 112.95 1tkv h ASN 52 Ca 0.04 -0.52 0.00 0.00 0.07 0.00 0.00 56.30 55.89 1tkv h ASN 52 Cb 1.06 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 37.13 1tkv h ASN 52 CO 0.11 1.34 -0.56 -1.20 0.07 0.00 0.00 177.43 177.19 1tkv n SER 53 N -3.71 0.65 0.09 6.14 7.64 -1.22 -2.49 113.62 120.71 1tkv n SER 53 Ca -0.09 0.09 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1tkv n SER 53 Cb 0.91 0.12 -0.08 0.00 -1.01 0.00 0.00 64.21 64.15 1tkv n SER 53 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1tkv h PHE 54 N 0.00 -0.17 -0.04 1.43 3.57 -1.00 -3.03 116.94 117.69 1tkv h PHE 54 Ca 0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1tkv h PHE 54 Cb 0.70 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1tkv h PHE 54 CO 0.00 0.02 -0.14 -0.09 -2.23 0.00 0.00 178.31 175.87 1tkv h ARG 55 N -0.33 0.06 -0.39 1.11 2.43 -1.46 -1.91 114.38 113.90 1tkv h ARG 55 Ca -0.02 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1tkv h ARG 55 Cb 0.27 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1tkv h ARG 55 CO 0.03 0.21 0.07 1.57 -1.51 0.00 0.00 179.97 180.34 1tkv h LYS 56 N 0.06 0.65 -0.32 0.20 2.10 -1.56 -2.35 116.57 115.35 1tkv h LYS 56 Ca 0.01 -0.17 0.06 0.00 -2.00 0.00 0.00 60.65 58.55 1tkv h LYS 56 Cb 0.29 -0.08 -0.06 0.00 -0.90 0.00 0.00 32.23 31.48 1tkv h LYS 56 CO 0.02 0.70 -0.08 -0.84 -2.00 0.00 0.00 179.45 177.25 1tkv h ILE 57 N 0.50 0.68 0.05 0.07 3.07 -1.23 -2.54 117.51 118.11 1tkv h ILE 57 Ca 0.12 -0.00 -0.26 0.00 1.55 0.00 0.00 64.86 66.27 1tkv h ILE 57 Cb 0.36 0.68 -0.02 0.00 -0.27 0.00 0.00 36.82 37.57 1tkv h ILE 57 CO 0.01 0.00 -1.32 -0.37 -1.05 0.00 0.00 178.15 175.42 1tkv h VAL 58 N 0.00 1.36 0.00 0.16 -1.51 -1.57 -3.40 116.25 111.29 1tkv h VAL 58 Ca 0.15 -3.06 -0.13 0.00 -1.23 0.00 0.00 66.70 62.43 1tkv h VAL 58 Cb 0.23 2.76 -0.02 0.00 -2.13 0.00 0.00 31.29 32.13 1tkv h VAL 58 CO -0.33 0.83 -0.84 -1.28 -1.23 0.00 0.00 177.57 174.72 1tkv h SER 59 N 0.03 0.00 -0.25 4.19 0.87 -1.40 -3.40 113.55 113.59 1tkv h SER 59 Ca -0.14 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1tkv h SER 59 Cb 1.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.87 1tkv h SER 59 CO 0.14 1.17 0.00 -1.84 -0.53 0.00 0.00 176.83 175.77 1tkv n GLU 60 N -4.53 2.39 -1.38 2.24 0.28 -0.96 -4.91 120.64 113.76 1tkv n GLU 60 Ca -0.21 -1.24 -0.37 0.00 -0.16 0.00 0.00 57.16 55.19 1tkv n GLU 60 Cb 0.50 -1.68 0.07 0.00 1.43 0.00 0.00 31.44 31.76 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 0.29 2.15 -4.91 -1.84 4.77 -1.26 -5.03 117.00 111.17 1tkv n LEU 61 Ca 0.11 0.67 -0.28 0.00 -0.03 0.00 0.00 56.01 56.49 1tkv n LEU 61 Cb 0.55 -1.30 0.07 0.00 -2.33 0.00 0.00 43.42 40.41 1tkv n LEU 61 CO 0.12 -2.56 0.68 0.42 -1.33 0.00 0.00 177.39 174.72 1tkv s THR 62 N -1.78 2.48 0.25 -5.08 -4.23 -1.26 -4.98 115.64 101.03 1tkv s THR 62 Ca 0.70 -0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 61.10 1tkv s THR 62 Cb -0.37 -3.11 0.22 0.00 1.34 0.00 0.00 72.50 70.58 1tkv s THR 62 CO 0.53 -0.13 1.88 1.56 -0.54 0.00 0.00 174.62 177.92 1tkv h GLN 63 N -0.72 1.22 -0.60 3.99 4.20 -1.99 -2.71 115.11 118.50 1tkv h GLN 63 Ca -0.45 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.08 1tkv h GLN 63 Cb 1.31 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 1tkv h GLN 63 CO 0.63 0.88 0.20 0.93 -0.67 0.00 0.00 178.83 180.80 1tkv h GLU 64 N 1.23 0.90 -0.58 1.46 5.08 -1.98 0.55 114.58 121.25 1tkv h GLU 64 Ca 0.31 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1tkv h GLU 64 Cb 0.01 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1tkv h GLU 64 CO -0.05 0.77 0.20 -0.44 -1.00 0.00 0.00 179.01 178.49 1tkv h ASP 65 N 0.88 0.78 -0.10 1.42 3.32 -1.89 0.80 116.42 121.63 1tkv h ASP 65 Ca 0.20 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1tkv h ASP 65 Cb 0.23 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1tkv h ASP 65 CO -0.01 0.72 -0.37 0.11 -1.72 0.00 0.00 179.24 177.97 1tkv h LYS 66 N 0.83 0.42 -0.62 3.56 1.57 -1.15 -1.36 116.57 119.83 1tkv h LYS 66 Ca 0.19 -0.33 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1tkv h LYS 66 Cb 0.21 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1tkv h LYS 66 CO -0.01 0.96 0.41 0.87 -0.57 0.00 0.00 179.45 181.10 1tkv h LYS 67 N -0.02 0.62 0.12 3.15 1.79 -0.80 0.30 116.57 121.75 1tkv h LYS 67 Ca -0.02 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1tkv h LYS 67 Cb 1.01 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1tkv h LYS 67 CO 0.08 0.41 -0.06 1.15 -1.08 0.00 0.00 179.45 179.95 1tkv h THR 68 N 0.64 0.99 -0.27 -0.16 2.02 -0.54 -0.13 112.91 115.45 1tkv h THR 68 Ca 0.26 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 67.06 1tkv h THR 68 Cb 0.21 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1tkv h THR 68 CO -0.08 0.10 0.08 -0.07 0.37 0.00 0.00 175.52 175.92 1tkv h LEU 69 N -0.35 0.06 -0.77 2.58 3.38 -0.97 -2.86 115.31 116.39 1tkv h LEU 69 Ca -0.02 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1tkv h LEU 69 Cb 0.29 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1tkv h LEU 69 CO 0.03 0.07 0.47 0.40 0.09 0.00 0.00 178.44 179.49 1tkv h ILE 70 N 0.19 1.05 -0.07 1.22 2.04 -0.88 0.41 117.51 121.46 1tkv h ILE 70 Ca 0.12 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1tkv h ILE 70 Cb 0.11 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1tkv h ILE 70 CO -0.14 0.16 0.09 0.44 0.00 0.00 0.00 178.15 178.69 1tkv h ASP 71 N 0.88 0.00 0.00 1.72 3.32 -0.78 -2.48 116.42 119.08 1tkv h ASP 71 Ca 0.33 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.22 1tkv h ASP 71 Cb 0.12 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1tkv h ASP 71 CO -0.15 0.00 -1.61 -0.62 -1.72 0.00 0.00 179.24 175.14 1tkv n GLU 72 N -3.78 0.47 -2.64 3.56 1.02 -0.85 -4.76 120.64 113.66 1tkv n GLU 72 Ca -0.01 0.06 -0.32 0.00 -0.02 0.00 0.00 57.16 56.87 1tkv n GLU 72 Cb 0.18 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.77 3.50 -0.09 -0.32 3.01 0.14 -4.88 117.46 116.06 1tkv n PHE 73 Ca -0.19 -3.28 -0.13 0.00 1.01 0.00 0.00 57.45 54.87 1tkv n PHE 73 Cb 0.71 -0.63 -0.08 0.00 -0.01 0.00 0.00 39.48 39.48 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 3.15 -1.62 -0.05 4.37 4.21 -1.63 -1.00 115.58 123.00 1tkv h ASN 74 Ca 0.31 0.22 -0.15 0.00 1.21 0.00 0.00 56.30 57.89 1tkv h ASN 74 Cb 0.51 0.67 0.01 0.00 -1.12 0.00 0.00 38.32 38.38 1tkv h ASN 74 CO 0.98 -0.42 -0.54 -0.33 -1.29 0.00 0.00 177.43 175.83 1tkv h GLU 75 N -0.43 0.45 0.09 0.81 5.08 -1.89 -3.06 114.58 115.62 1tkv h GLU 75 Ca 0.09 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1tkv h GLU 75 Cb 0.62 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1tkv h GLU 75 CO -0.53 1.07 -0.04 0.78 -1.00 0.00 0.00 179.01 179.29 1tkv h GLY 76 N -0.02 -0.12 0.66 -3.84 0.00 -1.94 -3.24 103.07 94.57 1tkv h GLY 76 Ca -0.05 0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1tkv h GLY 76 CO 0.11 -0.05 -0.29 -2.75 0.00 0.00 0.00 176.54 173.56 1tkv h PHE 77 N -0.65 0.42 -0.76 5.60 3.04 -1.35 -2.93 116.94 120.31 1tkv h PHE 77 Ca -0.01 -0.18 0.16 0.00 3.98 0.00 0.00 57.97 61.92 1tkv h PHE 77 Cb 0.53 -0.06 -0.14 0.00 2.56 0.00 0.00 35.95 38.83 1tkv h PHE 77 CO 0.09 0.91 -0.10 0.93 -2.02 0.00 0.00 178.31 178.13 1tkv h GLU 78 N -0.20 0.04 0.30 1.11 5.08 -1.62 0.44 114.58 119.73 1tkv h GLU 78 Ca -0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1tkv h GLU 78 Cb 0.95 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1tkv h GLU 78 CO 0.06 0.03 -0.14 0.78 -1.00 0.00 0.00 179.01 178.74 1tkv h GLY 79 N 0.04 -0.42 2.00 -3.84 0.00 -1.63 -3.18 103.07 96.05 1tkv h GLY 79 Ca 0.39 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1tkv h GLY 79 CO -0.73 -0.15 0.00 -0.39 0.00 0.00 0.00 176.54 175.27 1tkv h VAL 80 N -0.51 0.00 -0.21 4.60 -1.51 -1.28 -2.30 116.25 115.04 1tkv h VAL 80 Ca -0.04 -0.23 -0.18 0.00 -1.23 0.00 0.00 66.70 65.02 1tkv h VAL 80 Cb 0.31 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1tkv h VAL 80 CO 0.07 0.00 -0.58 0.22 -1.23 0.00 0.00 177.57 176.04 1tkv h TYR 81 N 0.00 0.99 -0.92 5.19 3.20 -0.23 0.71 116.97 125.90 1tkv h TYR 81 Ca 0.00 -0.39 0.18 0.00 3.14 0.00 0.00 58.73 61.66 1tkv h TYR 81 Cb 0.25 -0.17 -0.10 0.00 1.54 0.00 0.00 36.73 38.25 1tkv h TYR 81 CO 0.00 1.20 0.50 0.00 -1.64 0.00 0.00 178.16 178.22 1tkv h ARG 82 N 0.50 0.62 -0.19 1.82 2.47 -1.39 0.11 114.38 118.31 1tkv h ARG 82 Ca -0.01 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.59 1tkv h ARG 82 Cb 1.20 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1tkv h ARG 82 CO 0.13 0.41 -0.20 1.88 0.56 0.00 0.00 179.97 182.74 1tkv h TYR 83 N 0.64 0.58 0.36 3.04 -1.99 -1.47 -2.05 116.97 116.07 1tkv h TYR 83 Ca 0.53 -0.18 -0.02 0.00 2.00 0.00 0.00 58.73 61.07 1tkv h TYR 83 Cb 0.83 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.44 1tkv h TYR 83 CO -0.06 0.84 -0.18 -0.07 -0.00 0.00 0.00 178.16 178.69 1tkv h LEU 84 N 0.15 -0.44 -0.80 3.88 3.38 -0.53 -1.86 115.31 119.08 1tkv h LEU 84 Ca 0.03 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1tkv h LEU 84 Cb 0.75 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 1tkv h LEU 84 CO 0.05 -0.31 0.42 -0.33 0.09 0.00 0.00 178.44 178.36 1tkv h GLU 85 N -0.50 0.65 0.00 1.13 4.39 -0.71 -1.74 114.58 117.80 1tkv h GLU 85 Ca -0.05 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.47 1tkv h GLU 85 Cb 0.39 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1tkv h GLU 85 CO 0.07 0.43 -0.84 0.00 -1.16 0.00 0.00 179.01 177.51 1tkv h MET 86 N 0.67 0.00 0.00 2.33 -0.00 -1.27 -2.00 114.93 114.66 1tkv h MET 86 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.11 1tkv h MET 86 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 1tkv h MET 86 CO -0.30 0.53 -0.28 1.88 -0.00 0.00 0.00 176.91 178.75 1tkv h TYR 87 N 0.00 0.00 -1.17 -0.10 0.05 -0.94 -3.18 116.97 111.63 1tkv h TYR 87 Ca -0.05 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.25 1tkv h TYR 87 Cb 1.52 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.84 1tkv h TYR 87 CO 0.00 0.00 -0.93 -2.37 -1.05 0.00 0.00 178.16 173.81 1tkv n THR 88 N -2.55 1.84 -2.97 -2.88 5.66 -0.69 -3.21 114.28 109.48 1tkv n THR 88 Ca 0.04 -4.07 -0.41 0.00 -3.05 0.00 0.00 64.05 56.55 1tkv n THR 88 Cb 0.48 -0.40 -0.05 0.00 -1.55 0.00 0.00 70.33 68.81 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 -3.43 6.70 0.00 1.09 0.02 -0.75 -4.90 114.94 113.67 1tkv s ASN 89 Ca 0.40 0.81 0.03 0.00 -1.02 0.00 0.00 52.86 53.07 1tkv s ASN 89 Cb 0.41 -2.40 0.16 0.00 0.02 0.00 0.00 41.25 39.45 1tkv s ASN 89 CO -0.08 -0.51 0.64 1.17 0.02 0.00 0.00 177.10 178.34