#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 2.71 0.06 3.52 2.85 -1.26 -4.95 118.16 121.09 1tkv n LYS 3 Ca 0.00 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 1tkv n LYS 3 Cb 0.00 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.23 1tkv n LYS 3 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1tkv h ASN 4 N 0.00 0.59 -0.24 -5.58 2.35 -1.99 -3.38 115.58 107.32 1tkv h ASN 4 Ca 0.00 -0.94 -0.00 0.00 -0.55 0.00 0.00 56.30 54.80 1tkv h ASN 4 Cb 0.00 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1tkv h ASN 4 CO 0.00 1.81 0.13 -0.29 -1.65 0.00 0.00 177.43 177.43 1tkv h ILE 5 N 0.10 1.11 -1.01 2.81 2.10 -1.94 -2.69 117.51 117.98 1tkv h ILE 5 Ca -0.36 -0.30 0.40 0.00 1.08 0.00 0.00 64.86 65.68 1tkv h ILE 5 Cb 2.09 0.89 -0.17 0.00 -1.09 0.00 0.00 36.82 38.53 1tkv h ILE 5 CO 0.16 0.11 0.56 0.44 -1.08 0.00 0.00 178.15 178.34 1tkv h ASP 6 N 0.27 0.36 0.08 2.19 3.32 -1.98 0.31 116.42 120.97 1tkv h ASP 6 Ca 0.08 0.24 -0.24 0.00 0.02 0.00 0.00 57.03 57.14 1tkv h ASP 6 Cb 0.06 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1tkv h ASP 6 CO -0.01 -0.37 -1.23 0.74 -1.72 0.00 0.00 179.24 176.64 1tkv h THR 7 N 0.07 1.09 -1.00 0.35 2.02 -1.70 -3.11 112.91 110.62 1tkv h THR 7 Ca 0.83 -2.35 0.09 0.00 0.77 0.00 0.00 66.41 65.75 1tkv h THR 7 Cb 2.15 2.69 -0.07 0.00 -1.74 0.00 0.00 68.15 71.18 1tkv h THR 7 CO -0.73 0.62 0.64 0.58 0.37 0.00 0.00 175.52 177.01 1tkv h VAL 8 N -0.51 1.02 -0.04 3.16 2.07 -0.99 -2.36 116.25 118.60 1tkv h VAL 8 Ca -0.28 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1tkv h VAL 8 Cb 1.59 -0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1tkv h VAL 8 CO 0.00 0.20 -0.53 -0.09 0.02 0.00 0.00 177.57 177.17 1tkv h ARG 9 N 1.10 -0.61 0.00 1.57 2.43 -0.52 0.25 114.38 118.58 1tkv h ARG 9 Ca 0.46 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1tkv h ARG 9 Cb 0.31 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1tkv h ARG 9 CO -0.21 -0.41 0.00 -0.85 -1.51 0.00 0.00 179.97 176.99 1tkv n GLU 10 N -5.39 0.12 0.05 0.20 0.28 -1.10 -2.08 120.64 112.72 1tkv n GLU 10 Ca -0.07 0.29 0.12 0.00 -0.16 0.00 0.00 57.16 57.34 1tkv n GLU 10 Cb 0.38 -1.70 0.10 0.00 1.43 0.00 0.00 31.44 31.66 1tkv n GLU 10 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1tkv n ILE 11 N -1.91 0.31 0.03 3.84 5.41 -0.91 -2.78 119.36 123.35 1tkv n ILE 11 Ca 0.04 -0.29 -0.12 0.00 1.00 0.00 0.00 62.75 63.37 1tkv n ILE 11 Cb 0.25 -0.03 -0.09 0.00 -0.71 0.00 0.00 39.64 39.06 1tkv n ILE 11 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1tkv h ILE 12 N 0.00 1.15 0.47 1.39 2.04 0.05 -1.20 117.51 121.40 1tkv h ILE 12 Ca 0.00 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1tkv h ILE 12 Cb 0.76 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1tkv h ILE 12 CO 0.00 0.27 -0.36 0.71 0.00 0.00 0.00 178.15 178.77 1tkv h THR 13 N -0.69 0.26 -0.60 -0.27 1.35 -1.61 -2.15 112.91 109.21 1tkv h THR 13 Ca -0.01 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.96 1tkv h THR 13 Cb 0.54 0.26 -0.12 0.00 -1.73 0.00 0.00 68.15 67.10 1tkv h THR 13 CO 0.02 0.00 -0.29 0.58 -0.25 0.00 0.00 175.52 175.58 1tkv h VAL 14 N -0.82 0.21 0.00 6.82 2.07 -1.63 -1.19 116.25 121.71 1tkv h VAL 14 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1tkv h VAL 14 Cb 0.70 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1tkv h VAL 14 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1tkv n ALA 15 N -3.13 2.10 0.41 1.67 0.00 -0.45 -1.46 120.51 119.65 1tkv n ALA 15 Ca 0.05 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1tkv n ALA 15 Cb 0.35 -1.43 0.35 0.00 0.00 0.00 0.00 19.45 18.72 1tkv n ALA 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1tkv h SER 16 N 0.00 0.00 0.10 0.00 4.64 -0.56 -1.90 113.55 115.83 1tkv h SER 16 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tkv h SER 16 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1tkv h SER 16 CO 0.00 0.00 -0.05 0.40 -0.87 0.00 0.00 176.83 176.31 1tkv h ILE 17 N 0.00 0.93 0.00 0.95 1.08 -0.63 0.35 117.51 120.19 1tkv h ILE 17 Ca 0.00 -0.08 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 1tkv h ILE 17 Cb 0.78 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1tkv h ILE 17 CO 0.00 0.02 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.22 1tkv h LEU 18 N -0.16 0.00 -0.05 1.44 4.07 -1.46 0.81 115.31 119.96 1tkv h LEU 18 Ca -0.01 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.80 1tkv h LEU 18 Cb 0.13 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.88 1tkv h LEU 18 CO 0.02 0.19 -0.54 0.40 -1.08 0.00 0.00 178.44 177.43 1tkv h ILE 19 N 0.00 1.40 -1.00 1.22 2.04 -1.17 0.60 117.51 120.60 1tkv h ILE 19 Ca -0.00 -1.94 0.18 0.00 1.00 0.00 0.00 64.86 64.10 1tkv h ILE 19 Cb 0.36 2.40 -0.10 0.00 -0.74 0.00 0.00 36.82 38.74 1tkv h ILE 19 CO 0.02 0.57 0.61 0.50 0.00 0.00 0.00 178.15 179.86 1tkv h LYS 20 N -0.01 0.76 -0.01 2.37 3.64 0.45 -0.77 116.57 122.99 1tkv h LYS 20 Ca -0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1tkv h LYS 20 Cb 1.22 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1tkv h LYS 20 CO 0.11 0.50 -0.11 1.19 -2.27 0.00 0.00 179.45 178.88 1tkv n PHE 21 N -4.76 0.00 -3.07 1.91 3.72 0.21 -4.96 117.46 110.52 1tkv n PHE 21 Ca 0.23 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.50 1tkv n PHE 21 Cb 0.55 -0.07 0.07 0.00 -0.94 0.00 0.00 39.48 39.08 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 -0.37 -2.22 -2.37 4.37 2.88 -0.30 -4.97 113.62 110.64 1tkv n SER 22 Ca 0.16 -0.47 -0.20 0.00 -1.33 0.00 0.00 58.87 57.02 1tkv n SER 22 Cb 0.32 -4.02 0.02 0.00 -0.75 0.00 0.00 64.21 59.78 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 -3.34 3.03 -0.00 -1.46 5.12 0.20 -4.90 116.66 115.31 1tkv n ARG 23 Ca -0.21 -4.11 0.22 0.00 -1.93 0.00 0.00 57.85 51.83 1tkv n ARG 23 Cb 0.63 -2.06 0.72 0.00 -1.16 0.00 0.00 32.46 30.59 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 2.48 0.00 -1.05 5.56 -0.00 -1.89 -2.82 114.58 116.86 1tkv h GLU 24 Ca 0.23 0.00 0.35 0.00 -0.00 0.00 0.00 59.36 59.94 1tkv h GLU 24 Cb 1.24 0.00 -0.15 0.00 -0.00 0.00 0.00 28.75 29.84 1tkv h GLU 24 CO 0.69 0.00 0.61 -0.44 -0.00 0.00 0.00 179.01 179.87 1tkv h ASP 25 N 0.00 0.44 -0.46 3.06 3.32 -1.93 0.16 116.42 121.01 1tkv h ASP 25 Ca 0.27 0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.42 1tkv h ASP 25 Cb 1.21 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1tkv h ASP 25 CO -0.00 -0.18 -0.01 0.40 -1.72 0.00 0.00 179.24 177.73 1tkv h ILE 26 N 0.24 1.25 0.00 0.35 2.04 -1.89 -2.96 117.51 116.55 1tkv h ILE 26 Ca 0.76 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 1tkv h ILE 26 Cb 1.89 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1tkv h ILE 26 CO -0.59 0.38 -0.36 0.58 0.00 0.00 0.00 178.15 178.16 1tkv h VAL 27 N 0.82 0.98 0.00 1.67 2.07 -1.18 -3.30 116.25 117.31 1tkv h VAL 27 Ca 0.15 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1tkv h VAL 27 Cb 0.50 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1tkv h VAL 27 CO 0.02 0.36 0.00 1.21 0.02 0.00 0.00 177.57 179.18 1tkv n GLU 28 N -3.70 0.38 -3.77 1.57 2.13 -0.57 -4.52 120.64 112.15 1tkv n GLU 28 Ca -0.01 0.07 -0.15 0.00 0.66 0.00 0.00 57.16 57.73 1tkv n GLU 28 Cb 0.46 -1.50 -0.16 0.00 0.27 0.00 0.00 31.44 30.51 1tkv n GLU 28 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1tkv s ASN 29 N -2.42 0.06 0.20 4.31 3.84 -1.24 -4.84 114.94 114.84 1tkv s ASN 29 Ca 0.22 0.06 -0.11 0.00 0.21 0.00 0.00 52.86 53.24 1tkv s ASN 29 Cb 0.14 -0.05 0.16 0.00 -0.55 0.00 0.00 41.25 40.94 1tkv s ASN 29 CO 0.29 -0.13 1.86 0.08 -2.79 0.00 0.00 177.10 176.41 1tkv h ARG 30 N 7.29 0.87 0.08 0.43 0.11 -1.79 -2.31 114.38 119.05 1tkv h ARG 30 Ca -0.46 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 59.57 1tkv h ARG 30 Cb 1.12 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 32.01 1tkv h ARG 30 CO 0.48 0.58 -0.04 0.00 0.10 0.00 0.00 179.97 181.09 1tkv h ALA 31 N 1.27 -0.10 -1.22 0.08 0.00 -1.95 0.12 119.26 117.45 1tkv h ALA 31 Ca 0.26 -0.24 0.38 0.00 0.00 0.00 0.00 54.91 55.32 1tkv h ALA 31 Cb -0.05 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.66 1tkv h ALA 31 CO -0.08 -0.30 0.79 -0.91 0.00 0.00 0.00 179.25 178.75 1tkv h ASN 32 N -0.62 0.31 -0.03 0.00 -0.26 -1.90 -0.56 115.58 112.52 1tkv h ASN 32 Ca -0.01 0.12 -0.19 0.00 -0.56 0.00 0.00 56.30 55.67 1tkv h ASN 32 Cb 0.51 0.09 0.01 0.00 -1.06 0.00 0.00 38.32 37.88 1tkv h ASN 32 CO 0.02 -0.11 -0.71 0.15 -1.06 0.00 0.00 177.43 175.72 1tkv h PHE 33 N 0.18 0.76 -0.75 1.19 3.57 -1.03 -2.41 116.94 118.46 1tkv h PHE 33 Ca 0.75 -0.40 0.08 0.00 3.53 0.00 0.00 57.97 61.94 1tkv h PHE 33 Cb 2.23 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 40.81 1tkv h PHE 33 CO -0.00 1.21 0.41 0.82 -2.23 0.00 0.00 178.31 178.52 1tkv h ILE 34 N 0.10 0.91 0.18 1.41 2.04 -0.13 0.37 117.51 122.38 1tkv h ILE 34 Ca -0.08 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1tkv h ILE 34 Cb 1.39 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1tkv h ILE 34 CO 0.14 0.13 -0.09 0.00 0.00 0.00 0.00 178.15 178.33 1tkv h ALA 35 N 1.42 -0.24 -0.86 1.87 0.00 -1.16 -1.95 119.26 118.33 1tkv h ALA 35 Ca 0.35 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.42 1tkv h ALA 35 Cb 0.31 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.06 1tkv h ALA 35 CO -0.23 -0.62 0.23 0.35 0.00 0.00 0.00 179.25 178.98 1tkv h PHE 36 N -0.27 0.35 0.04 0.00 3.57 -1.07 -1.53 116.94 118.03 1tkv h PHE 36 Ca -0.03 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1tkv h PHE 36 Cb 0.21 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1tkv h PHE 36 CO -0.06 -0.18 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.61 1tkv h LEU 37 N 0.23 -0.45 -0.99 0.59 3.38 0.28 -1.74 115.31 116.61 1tkv h LEU 37 Ca 0.53 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.51 1tkv h LEU 37 Cb 1.04 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1tkv h LEU 37 CO -0.63 -0.22 0.16 0.78 0.09 0.00 0.00 178.44 178.63 1tkv h ASN 38 N -0.28 0.83 -0.07 -0.43 2.35 -0.93 -0.20 115.58 116.85 1tkv h ASN 38 Ca 0.04 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1tkv h ASN 38 Cb 0.33 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1tkv h ASN 38 CO -0.13 0.80 0.03 -0.08 -1.65 0.00 0.00 177.43 176.40 1tkv h GLU 39 N 0.87 0.07 0.00 0.81 4.57 -1.10 -3.07 114.58 116.72 1tkv h GLU 39 Ca 0.19 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1tkv h GLU 39 Cb 0.28 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1tkv h GLU 39 CO -0.01 0.04 -0.42 0.44 -1.18 0.00 0.00 179.01 177.89 1tkv n ILE 40 N -5.06 0.14 -0.46 2.32 -0.00 -0.67 -4.97 119.36 110.66 1tkv n ILE 40 Ca -0.06 -0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 1tkv n ILE 40 Cb 0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 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 1.45 3.66 3.28 0.00 -0.37 -5.07 105.19 109.58 1tkv n GLY 41 Ca 0.05 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.06 4.69 0.21 1.61 1.01 -0.23 -5.00 120.40 120.63 1tkv s VAL 42 Ca 0.00 2.03 0.05 0.00 0.00 0.00 0.00 61.98 64.05 1tkv s VAL 42 Cb 0.00 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1tkv s VAL 42 CO 0.00 -0.16 0.32 0.42 0.00 0.00 0.00 175.10 175.67 1tkv s THR 43 N 3.09 5.18 0.00 3.92 -4.23 -1.26 -4.46 115.64 117.88 1tkv s THR 43 Ca 0.44 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1tkv s THR 43 Cb -0.15 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1tkv s THR 43 CO 0.07 -0.26 0.00 1.57 -0.54 0.00 0.00 174.62 175.46 1tkv n HIS 44 N -1.12 0.00 -1.64 3.99 -0.00 -0.58 -4.73 115.22 111.13 1tkv n HIS 44 Ca -0.08 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.79 1tkv n HIS 44 Cb 0.56 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.39 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 3.16 -0.86 1.57 1.02 -1.26 -4.59 120.64 119.69 1tkv n GLU 45 Ca 0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 57.16 54.47 1tkv n GLU 45 Cb 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.11 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 1.28 0.69 3.76 0.62 0.00 -1.26 -5.01 105.19 105.26 1tkv n GLY 46 Ca 0.54 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.31 2.32 0.63 1.61 0.52 -1.26 -5.01 118.95 117.44 1tkv s ARG 47 Ca 0.00 -1.70 -0.16 0.00 -0.52 0.00 0.00 55.73 53.35 1tkv s ARG 47 Cb 0.00 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 1tkv s ARG 47 CO 0.00 -0.06 1.11 0.15 0.02 0.00 0.00 175.30 176.52 1tkv s LYS 48 N -3.92 2.98 -0.33 3.54 -0.14 -1.26 -1.53 119.74 119.08 1tkv s LYS 48 Ca 0.41 1.43 -0.10 0.00 -1.36 0.00 0.00 55.97 56.35 1tkv s LYS 48 Cb 0.01 -1.97 0.01 0.00 -1.68 0.00 0.00 37.83 34.19 1tkv s LYS 48 CO 0.23 -1.11 0.16 -1.17 -0.76 0.00 0.00 175.35 172.70 1tkv s LEU 49 N -4.58 4.27 0.39 3.17 0.20 -1.26 -4.68 118.68 116.18 1tkv s LEU 49 Ca 0.68 -0.70 -0.05 0.00 0.69 0.00 0.00 54.13 54.75 1tkv s LEU 49 Cb -0.21 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.52 1tkv s LEU 49 CO 0.38 -0.26 0.67 0.20 -0.29 0.00 0.00 176.35 177.05 1tkv s ASN 50 N 1.58 6.36 0.11 3.68 0.01 -1.26 -4.82 114.94 120.60 1tkv s ASN 50 Ca 0.03 0.79 -0.18 0.00 -0.71 0.00 0.00 52.86 52.80 1tkv s ASN 50 Cb -0.18 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1tkv s ASN 50 CO 0.06 -0.38 1.66 -0.61 -1.51 0.00 0.00 177.10 176.31 1tkv h GLN 51 N 0.90 0.45 -0.23 -0.60 4.15 -1.97 0.27 115.11 118.07 1tkv h GLN 51 Ca -0.48 -0.08 -0.12 0.00 0.77 0.00 0.00 58.65 58.74 1tkv h GLN 51 Cb 1.20 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 1tkv h GLN 51 CO 0.63 0.46 -0.34 -2.95 -1.93 0.00 0.00 178.83 174.70 1tkv h ASN 52 N 0.33 0.69 1.27 -0.69 -1.07 -2.01 -3.15 115.58 110.96 1tkv h ASN 52 Ca 0.10 -0.52 0.00 0.00 0.07 0.00 0.00 56.30 55.95 1tkv h ASN 52 Cb 0.18 -0.20 0.00 0.00 -2.07 0.00 0.00 38.32 36.24 1tkv h ASN 52 CO -0.01 1.08 0.00 0.28 0.07 0.00 0.00 177.43 178.85 1tkv h SER 53 N 0.33 0.00 0.29 6.14 0.02 -1.93 -2.03 113.55 116.37 1tkv h SER 53 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1tkv h SER 53 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1tkv h SER 53 CO 0.08 0.00 -0.14 0.15 -1.14 0.00 0.00 176.83 175.78 1tkv h PHE 54 N 0.00 -0.36 -0.53 3.45 3.57 -0.53 -2.98 116.94 119.56 1tkv h PHE 54 Ca 0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1tkv h PHE 54 Cb 0.64 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1tkv h PHE 54 CO 0.00 -0.16 0.09 -0.09 -2.23 0.00 0.00 178.31 175.93 1tkv h ARG 55 N -0.48 0.83 -0.36 1.11 2.43 -1.33 -1.55 114.38 115.02 1tkv h ARG 55 Ca -0.04 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 58.91 1tkv h ARG 55 Cb 0.36 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1tkv h ARG 55 CO 0.07 0.77 0.09 1.57 -1.51 0.00 0.00 179.97 180.96 1tkv h LYS 56 N 0.79 0.53 -0.05 0.20 2.10 -1.61 -1.58 116.57 116.95 1tkv h LYS 56 Ca 0.17 -0.08 -0.01 0.00 -2.00 0.00 0.00 60.65 58.73 1tkv h LYS 56 Cb 0.34 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1tkv h LYS 56 CO 0.00 0.49 0.01 -0.84 -2.00 0.00 0.00 179.45 177.11 1tkv h ILE 57 N 0.52 1.22 0.02 0.07 3.07 -1.13 -3.02 117.51 118.25 1tkv h ILE 57 Ca 0.12 -0.66 -0.25 0.00 1.55 0.00 0.00 64.86 65.63 1tkv h ILE 57 Cb 0.20 1.56 0.02 0.00 -0.27 0.00 0.00 36.82 38.32 1tkv h ILE 57 CO -0.00 0.18 -0.98 -0.37 -1.05 0.00 0.00 178.15 175.93 1tkv h VAL 58 N -0.16 1.31 0.00 0.16 -1.51 -1.39 -3.39 116.25 111.26 1tkv h VAL 58 Ca 0.02 -2.24 -0.03 0.00 -1.23 0.00 0.00 66.70 63.21 1tkv h VAL 58 Cb 0.28 2.47 -0.00 0.00 -2.13 0.00 0.00 31.29 31.91 1tkv h VAL 58 CO 0.00 0.68 -0.27 0.28 -1.23 0.00 0.00 177.57 177.03 1tkv h SER 59 N 0.27 0.00 0.00 4.19 0.02 -1.43 -3.39 113.55 113.21 1tkv h SER 59 Ca -0.13 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1tkv h SER 59 Cb 1.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.19 1tkv h SER 59 CO 0.19 0.83 0.00 -1.84 -1.14 0.00 0.00 176.83 174.87 1tkv n GLU 60 N -4.65 0.74 -1.00 3.45 0.28 -1.14 -4.89 120.64 113.43 1tkv n GLU 60 Ca -0.09 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.58 1tkv n GLU 60 Cb 0.28 -1.12 0.12 0.00 1.43 0.00 0.00 31.44 32.15 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 -0.30 2.03 -4.96 -1.84 4.77 -1.26 -5.03 117.00 110.41 1tkv n LEU 61 Ca 0.00 0.49 -0.25 0.00 -0.03 0.00 0.00 56.01 56.22 1tkv n LEU 61 Cb 0.06 -1.34 0.09 0.00 -2.33 0.00 0.00 43.42 39.90 1tkv n LEU 61 CO 0.00 -2.68 0.59 0.42 -1.33 0.00 0.00 177.39 174.40 1tkv s THR 62 N -2.22 2.25 0.19 -5.08 -4.23 -1.26 -4.99 115.64 100.30 1tkv s THR 62 Ca 0.66 -0.39 -0.10 0.00 -1.18 0.00 0.00 61.69 60.67 1tkv s THR 62 Cb -0.27 -2.86 0.11 0.00 1.34 0.00 0.00 72.50 70.82 1tkv s THR 62 CO 0.58 0.00 1.76 1.56 -0.54 0.00 0.00 174.62 177.98 1tkv h GLN 63 N -0.62 1.03 -0.49 3.99 1.08 -1.99 -3.15 115.11 114.95 1tkv h GLN 63 Ca -0.42 -0.18 0.08 0.00 -1.45 0.00 0.00 58.65 56.68 1tkv h GLN 63 Cb 1.29 -0.17 -0.10 0.00 -0.05 0.00 0.00 27.48 28.45 1tkv h GLN 63 CO 0.49 0.85 -0.43 0.93 -0.95 0.00 0.00 178.83 179.72 1tkv h GLU 64 N 0.98 -0.26 -0.89 1.46 3.07 -1.98 0.17 114.58 117.13 1tkv h GLU 64 Ca 0.23 0.02 0.21 0.00 -0.50 0.00 0.00 59.36 59.32 1tkv h GLU 64 Cb 0.19 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.10 1tkv h GLU 64 CO -0.02 -0.18 0.60 -0.44 -1.40 0.00 0.00 179.01 177.57 1tkv h ASP 65 N -0.27 0.31 0.03 1.42 3.32 -1.95 0.11 116.42 119.39 1tkv h ASP 65 Ca 0.16 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 1tkv h ASP 65 Cb 0.57 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1tkv h ASP 65 CO -0.63 0.12 -0.40 0.11 -1.72 0.00 0.00 179.24 176.72 1tkv h LYS 66 N 0.31 0.06 -1.01 3.56 1.57 -1.19 -2.47 116.57 117.40 1tkv h LYS 66 Ca 0.46 -0.11 0.24 0.00 -1.87 0.00 0.00 60.65 59.37 1tkv h LYS 66 Cb 1.28 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 33.52 1tkv h LYS 66 CO -0.14 1.05 0.60 0.87 -0.57 0.00 0.00 179.45 181.26 1tkv h LYS 67 N -0.86 0.58 -0.39 3.15 1.79 -0.54 0.20 116.57 120.50 1tkv h LYS 67 Ca -0.09 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.30 1tkv h LYS 67 Cb 1.19 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 1tkv h LYS 67 CO -0.00 0.38 0.06 1.15 -1.08 0.00 0.00 179.45 179.96 1tkv h THR 68 N 0.60 1.19 -0.16 -0.16 2.02 -0.92 -0.11 112.91 115.36 1tkv h THR 68 Ca 0.63 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 1tkv h THR 68 Cb 1.20 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1tkv h THR 68 CO -0.45 0.26 -0.25 -0.07 0.37 0.00 0.00 175.52 175.38 1tkv h LEU 69 N 0.57 0.50 -1.05 2.58 3.38 -0.68 -3.03 115.31 117.58 1tkv h LEU 69 Ca 0.13 -0.52 0.08 0.00 0.09 0.00 0.00 57.88 57.66 1tkv h LEU 69 Cb 0.27 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1tkv h LEU 69 CO 0.00 0.92 0.63 0.40 0.09 0.00 0.00 178.44 180.49 1tkv h ILE 70 N 0.08 1.03 -0.31 1.22 2.04 -0.38 0.11 117.51 121.30 1tkv h ILE 70 Ca 0.02 -0.37 -0.14 0.00 1.00 0.00 0.00 64.86 65.37 1tkv h ILE 70 Cb 0.82 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1tkv h ILE 70 CO 0.06 0.20 -0.37 0.44 0.00 0.00 0.00 178.15 178.48 1tkv h ASP 71 N 1.08 0.74 0.37 1.72 5.19 -1.08 -3.29 116.42 121.16 1tkv h ASP 71 Ca 0.44 -0.32 -0.21 0.00 -0.62 0.00 0.00 57.03 56.33 1tkv h ASP 71 Cb 0.28 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 39.55 1tkv h ASP 71 CO -0.19 1.03 -1.81 -0.62 -3.12 0.00 0.00 179.24 174.53 1tkv n GLU 72 N -4.05 0.65 -3.02 3.56 1.02 -0.97 -4.52 120.64 113.31 1tkv n GLU 72 Ca -0.01 0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.98 1tkv n GLU 72 Cb 0.51 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.76 2.85 0.00 -0.32 3.01 0.35 -4.99 117.46 115.60 1tkv n PHE 73 Ca -0.16 -3.94 0.00 0.00 1.01 0.00 0.00 57.45 54.36 1tkv n PHE 73 Cb 0.90 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1tkv n PHE 73 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1tkv n ASN 74 N -0.08 0.00 0.10 4.37 3.02 -1.24 -0.40 115.26 121.04 1tkv n ASN 74 Ca 0.29 0.95 -0.04 0.00 -0.03 0.00 0.00 54.58 55.75 1tkv n ASN 74 Cb 0.47 -0.45 0.09 0.00 -0.61 0.00 0.00 39.78 39.28 1tkv n ASN 74 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1tkv h GLU 75 N 0.00 0.10 0.02 3.52 4.81 -1.94 -3.17 114.58 117.92 1tkv h GLU 75 Ca 0.00 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1tkv h GLU 75 Cb 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1tkv h GLU 75 CO 0.00 0.76 -0.01 0.78 -0.73 0.00 0.00 179.01 179.81 1tkv h GLY 76 N 1.87 -0.03 0.73 1.92 0.00 -1.93 -3.17 103.07 102.46 1tkv h GLY 76 Ca -0.01 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1tkv h GLY 76 CO 0.10 -0.01 -0.18 -2.75 0.00 0.00 0.00 176.54 173.70 1tkv h PHE 77 N -0.56 0.44 -0.73 5.60 3.04 -0.88 -2.89 116.94 120.97 1tkv h PHE 77 Ca -0.00 -0.15 0.07 0.00 3.98 0.00 0.00 57.97 61.87 1tkv h PHE 77 Cb 0.53 -0.09 -0.09 0.00 2.56 0.00 0.00 35.95 38.86 1tkv h PHE 77 CO 0.11 0.79 -0.43 -1.91 -2.02 0.00 0.00 178.31 174.85 1tkv n GLU 78 N -4.52 -0.32 0.40 1.11 2.13 -1.20 0.44 120.64 118.69 1tkv n GLU 78 Ca -0.07 1.20 -0.17 0.00 0.66 0.00 0.00 57.16 58.78 1tkv n GLU 78 Cb 0.39 -1.76 -0.08 0.00 0.27 0.00 0.00 31.44 30.26 1tkv n GLU 78 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1tkv h GLY 79 N 0.00 -1.08 2.00 8.31 0.00 -1.64 -2.99 103.07 107.67 1tkv h GLY 79 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1tkv h GLY 79 CO -0.68 -0.39 0.00 -0.39 0.00 0.00 0.00 176.54 175.08 1tkv h VAL 80 N -1.20 0.00 0.00 4.60 -1.51 -1.21 -1.62 116.25 115.31 1tkv h VAL 80 Ca -0.11 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1tkv h VAL 80 Cb 0.80 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1tkv h VAL 80 CO 0.17 0.00 -0.11 0.22 -1.23 0.00 0.00 177.57 176.62 1tkv h TYR 81 N 0.00 0.00 -0.53 5.19 3.20 -0.09 0.19 116.97 124.94 1tkv h TYR 81 Ca 0.00 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1tkv h TYR 81 Cb 0.58 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1tkv h TYR 81 CO 0.00 0.00 -0.06 0.00 -1.64 0.00 0.00 178.16 176.46 1tkv h ARG 82 N 0.00 0.95 0.46 1.82 2.47 -1.13 -2.18 114.38 116.77 1tkv h ARG 82 Ca 0.00 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.38 1tkv h ARG 82 Cb 0.92 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 1tkv h ARG 82 CO 0.00 0.98 -0.22 1.88 0.56 0.00 0.00 179.97 183.16 1tkv h TYR 83 N 0.86 -0.57 -0.83 3.04 -1.99 -1.42 -2.15 116.97 113.91 1tkv h TYR 83 Ca 0.15 -0.01 0.13 0.00 2.00 0.00 0.00 58.73 60.99 1tkv h TYR 83 Cb 0.59 0.19 -0.06 0.00 2.00 0.00 0.00 36.73 39.45 1tkv h TYR 83 CO 0.04 -0.31 0.54 -0.07 -0.00 0.00 0.00 178.16 178.36 1tkv h LEU 84 N -1.12 0.59 0.30 3.88 3.38 -0.74 -2.52 115.31 119.09 1tkv h LEU 84 Ca -0.06 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1tkv h LEU 84 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1tkv h LEU 84 CO 0.10 0.32 -0.14 -0.08 0.09 0.00 0.00 178.44 178.73 1tkv h GLU 85 N 0.64 -0.38 -1.13 1.13 4.81 -1.35 -3.32 114.58 114.97 1tkv h GLU 85 Ca 0.40 0.03 0.32 0.00 -0.13 0.00 0.00 59.36 59.98 1tkv h GLU 85 Cb 0.66 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.05 1tkv h GLU 85 CO -0.16 -0.26 0.77 0.00 -0.73 0.00 0.00 179.01 178.63 1tkv h MET 86 N -0.60 0.20 -0.00 1.92 -0.00 -1.31 -1.08 114.93 114.05 1tkv h MET 86 Ca -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1tkv h MET 86 Cb 0.30 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 1tkv h MET 86 CO 0.07 0.13 -0.04 0.66 -0.00 0.00 0.00 176.91 177.72 1tkv n TYR 87 N -4.45 0.00 -2.41 -0.10 4.01 -0.96 -2.30 117.16 110.95 1tkv n TYR 87 Ca 0.27 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.87 1tkv n TYR 87 Cb 1.09 -0.20 0.03 0.00 -0.31 0.00 0.00 39.34 39.95 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 -1.09 1.93 -2.91 -0.72 5.66 -0.43 -3.70 114.28 113.03 1tkv n THR 88 Ca 0.16 -3.67 -0.43 0.00 -3.05 0.00 0.00 64.05 57.05 1tkv n THR 88 Cb 0.24 -0.06 -0.04 0.00 -1.55 0.00 0.00 70.33 68.93 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 -3.66 6.30 0.00 1.09 0.02 -0.97 -4.96 114.94 112.75 1tkv s ASN 89 Ca 0.40 -1.34 0.30 0.00 -1.02 0.00 0.00 52.86 51.19 1tkv s ASN 89 Cb 0.37 -2.40 1.42 0.00 0.02 0.00 0.00 41.25 40.66 1tkv s ASN 89 CO -0.01 -1.30 1.95 1.17 0.02 0.00 0.00 177.10 178.94