#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vrk s ASP 2 N 0.00 3.78 -0.30 0.00 -4.77 -1.26 -4.60 116.67 109.52 1vrk s ASP 2 Ca 0.00 -3.13 0.20 0.00 -3.30 0.00 0.00 52.55 46.32 1vrk s ASP 2 Cb 0.00 -1.22 0.48 0.00 -1.09 0.00 0.00 42.92 41.09 1vrk s ASP 2 CO 0.00 -0.19 1.05 0.00 0.70 0.00 0.00 175.17 176.73 1vrk n GLN 3 N 2.89 1.41 -2.22 2.11 6.02 -1.26 -5.11 117.38 121.22 1vrk n GLN 3 Ca 0.15 -3.28 -0.42 0.00 -0.01 0.00 0.00 57.00 53.43 1vrk n GLN 3 Cb 0.36 -1.34 -0.03 0.00 1.02 0.00 0.00 30.24 30.25 1vrk n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1vrk s LEU 4 N -3.46 4.39 0.57 1.08 1.43 -1.26 -5.03 118.68 116.40 1vrk s LEU 4 Ca 0.26 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.57 1vrk s LEU 4 Cb 0.40 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 1vrk s LEU 4 CO -0.00 -0.57 0.99 0.42 0.23 0.00 0.00 176.35 177.42 1vrk s THR 5 N 0.62 4.67 0.53 5.49 -4.23 -1.26 -4.88 115.64 116.57 1vrk s THR 5 Ca 0.60 0.94 0.20 0.00 -1.18 0.00 0.00 61.69 62.25 1vrk s THR 5 Cb -0.36 -3.82 0.32 0.00 1.34 0.00 0.00 72.50 69.98 1vrk s THR 5 CO 0.34 -0.96 2.10 0.44 -0.54 0.00 0.00 174.62 176.00 1vrk h ASP 6 N 0.18 0.00 -0.46 3.99 5.19 -1.99 -0.84 116.42 122.48 1vrk h ASP 6 Ca -0.45 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 55.84 1vrk h ASP 6 Cb 1.19 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.68 1vrk h ASP 6 CO 0.62 0.00 -0.15 -0.33 -3.12 0.00 0.00 179.24 176.26 1vrk h GLU 7 N 0.00 0.95 -0.24 3.56 3.07 -1.99 -1.26 114.58 118.67 1vrk h GLU 7 Ca 0.09 -0.36 -0.18 0.00 -0.50 0.00 0.00 59.36 58.41 1vrk h GLU 7 Cb 0.35 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1vrk h GLU 7 CO -0.00 1.02 -0.55 1.96 -1.40 0.00 0.00 179.01 180.04 1vrk h GLN 8 N 0.84 0.80 -0.44 2.33 4.20 -1.57 -2.62 115.11 118.64 1vrk h GLN 8 Ca 0.13 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1vrk h GLN 8 Cb 0.70 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 1vrk h GLN 8 CO 0.05 1.16 0.28 0.82 -0.67 0.00 0.00 178.83 180.48 1vrk h ILE 9 N 0.55 1.13 -0.46 2.54 2.04 -1.13 -1.01 117.51 121.17 1vrk h ILE 9 Ca -0.00 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1vrk h ILE 9 Cb 1.17 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1vrk h ILE 9 CO 0.12 0.12 0.18 0.00 0.00 0.00 0.00 178.15 178.58 1vrk h ALA 10 N 1.15 1.46 -0.44 1.87 0.00 -1.23 0.54 119.26 122.59 1vrk h ALA 10 Ca 0.16 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1vrk h ALA 10 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1vrk h ALA 10 CO -0.03 0.42 -0.26 1.49 0.00 0.00 0.00 179.25 180.86 1vrk h GLU 11 N 0.65 0.95 -0.09 0.00 4.81 -1.02 -2.44 114.58 117.45 1vrk h GLU 11 Ca 0.16 -0.43 -0.13 0.00 -0.13 0.00 0.00 59.36 58.83 1vrk h GLU 11 Cb 0.14 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1vrk h GLU 11 CO -0.02 1.09 -0.52 0.74 -0.73 0.00 0.00 179.01 179.58 1vrk h PHE 12 N 0.81 0.30 -0.61 0.92 0.04 -0.47 -2.71 116.94 115.22 1vrk h PHE 12 Ca 0.10 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1vrk h PHE 12 Cb 0.84 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.90 1vrk h PHE 12 CO 0.05 0.72 0.17 -0.22 -0.60 0.00 0.00 178.31 178.43 1vrk h LYS 13 N 0.19 0.94 -0.21 1.51 1.63 -0.71 -0.09 116.57 119.84 1vrk h LYS 13 Ca 0.01 -0.19 -0.12 0.00 -0.85 0.00 0.00 60.65 59.49 1vrk h LYS 13 Cb 0.98 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 1vrk h LYS 13 CO 0.08 0.82 -0.38 0.93 -3.45 0.00 0.00 179.45 177.45 1vrk h GLU 14 N 0.90 0.47 -0.33 1.90 5.08 -1.29 -1.91 114.58 119.40 1vrk h GLU 14 Ca 0.20 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1vrk h GLU 14 Cb 0.29 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1vrk h GLU 14 CO -0.00 0.78 -0.30 0.00 -1.00 0.00 0.00 179.01 178.49 1vrk h ALA 15 N 1.20 0.85 -0.75 3.43 0.00 -1.09 -2.73 119.26 120.17 1vrk h ALA 15 Ca 0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1vrk h ALA 15 Cb 0.85 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1vrk h ALA 15 CO 0.07 0.63 0.35 0.35 0.00 0.00 0.00 179.25 180.65 1vrk h PHE 16 N 0.60 1.07 0.00 0.00 3.57 -0.76 -2.55 116.94 118.89 1vrk h PHE 16 Ca 0.07 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1vrk h PHE 16 Cb 0.81 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1vrk h PHE 16 CO 0.04 0.79 -0.03 0.77 -2.23 0.00 0.00 178.31 177.64 1vrk h SER 17 N 1.07 0.00 0.59 0.41 0.02 -1.03 -0.57 113.55 114.03 1vrk h SER 17 Ca 0.26 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.12 1vrk h SER 17 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1vrk h SER 17 CO -0.03 0.03 -0.44 -0.07 -1.14 0.00 0.00 176.83 175.18 1vrk h LEU 18 N 0.00 0.00 0.02 5.07 3.38 -1.43 -3.24 115.31 119.11 1vrk h LEU 18 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1vrk h LEU 18 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1vrk h LEU 18 CO 0.00 0.44 -1.03 -0.26 0.09 0.00 0.00 178.44 177.68 1vrk h PHE 19 N 0.00 0.07 -0.47 1.13 0.04 -1.29 -3.42 116.94 113.00 1vrk h PHE 19 Ca -0.00 -0.05 -0.54 0.00 2.80 0.00 0.00 57.97 60.17 1vrk h PHE 19 Cb 0.85 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.96 1vrk h PHE 19 CO 0.00 1.40 1.88 -3.47 -0.60 0.00 0.00 178.31 177.53 1vrk n ASP 20 N -4.38 3.71 -0.20 2.17 2.03 -0.36 -4.72 116.55 114.80 1vrk n ASP 20 Ca -0.26 -2.79 -0.05 0.00 0.52 0.00 0.00 54.79 52.21 1vrk n ASP 20 Cb 0.68 -1.64 0.05 0.00 -0.72 0.00 0.00 41.12 39.49 1vrk n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1vrk h LYS 21 N 8.28 0.69 -0.01 -0.67 6.56 -1.81 -2.46 116.57 127.15 1vrk h LYS 21 Ca 0.37 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.92 1vrk h LYS 21 Cb 0.84 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.34 1vrk h LYS 21 CO 1.49 0.46 -0.01 -0.40 -2.06 0.00 0.00 179.45 178.93 1vrk n ASP 22 N -4.74 0.68 -2.83 0.86 5.68 -1.26 -4.94 116.55 110.00 1vrk n ASP 22 Ca 0.05 -1.16 -0.22 0.00 -0.50 0.00 0.00 54.79 52.97 1vrk n ASP 22 Cb 0.07 -0.01 0.02 0.00 -1.14 0.00 0.00 41.12 40.06 1vrk n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vrk n GLY 23 N 1.11 -0.51 0.32 6.12 0.00 -0.93 -4.89 105.19 106.41 1vrk n GLY 23 Ca 0.21 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.45 1vrk n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vrk n ASP 24 N -2.33 1.11 0.00 1.61 5.75 -1.26 -4.94 116.55 116.49 1vrk n ASP 24 Ca -0.15 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1vrk n ASP 24 Cb 0.64 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 1vrk n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vrk n GLY 25 N 1.24 0.76 2.99 6.12 0.00 -1.26 -5.07 105.19 109.97 1vrk n GLY 25 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1vrk n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vrk s THR 26 N -2.23 0.16 -0.22 2.61 -4.23 -1.26 -3.87 115.64 106.60 1vrk s THR 26 Ca 0.00 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.54 1vrk s THR 26 Cb 0.00 -0.30 -0.02 0.00 1.34 0.00 0.00 72.50 73.52 1vrk s THR 26 CO 0.00 -0.48 0.02 -0.63 -0.54 0.00 0.00 174.62 173.00 1vrk s ILE 27 N -1.42 4.04 0.50 2.99 1.01 0.15 -4.76 121.20 123.70 1vrk s ILE 27 Ca -0.15 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.29 1vrk s ILE 27 Cb -0.10 -2.85 0.04 0.00 0.01 0.00 0.00 42.46 39.56 1vrk s ILE 27 CO -0.01 0.39 0.68 0.42 0.00 0.00 0.00 174.94 176.43 1vrk s THR 28 N 1.30 2.69 0.37 2.92 -4.23 -1.26 -1.61 115.64 115.81 1vrk s THR 28 Ca 0.04 -0.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.68 1vrk s THR 28 Cb -0.15 -2.76 0.21 0.00 1.34 0.00 0.00 72.50 71.14 1vrk s THR 28 CO 0.02 0.00 1.96 0.71 -0.54 0.00 0.00 174.62 176.77 1vrk h THR 29 N 0.37 1.16 -0.04 3.99 1.35 -1.92 -1.39 112.91 116.43 1vrk h THR 29 Ca -0.38 -0.49 -0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1vrk h THR 29 Cb 1.28 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1vrk h THR 29 CO 0.45 0.19 0.03 0.50 -0.25 0.00 0.00 175.52 176.43 1vrk h LYS 30 N 0.57 0.05 -0.40 4.72 3.64 -1.98 0.10 116.57 123.28 1vrk h LYS 30 Ca 0.14 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1vrk h LYS 30 Cb 0.12 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1vrk h LYS 30 CO -0.01 0.07 -0.06 0.93 -2.27 0.00 0.00 179.45 178.11 1vrk h GLU 31 N 0.03 0.74 -0.59 1.90 5.08 -1.78 -1.42 114.58 118.53 1vrk h GLU 31 Ca 0.01 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1vrk h GLU 31 Cb 0.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1vrk h GLU 31 CO -0.00 0.86 0.20 1.25 -1.00 0.00 0.00 179.01 180.31 1vrk h LEU 32 N 0.55 0.85 -0.85 1.33 5.85 -1.21 -2.62 115.31 119.22 1vrk h LEU 32 Ca 0.11 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1vrk h LEU 32 Cb 0.56 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1vrk h LEU 32 CO 0.03 0.82 0.29 1.23 -0.34 0.00 0.00 178.44 180.47 1vrk h GLY 33 N 0.83 1.22 0.96 3.75 0.00 -0.67 -2.15 103.07 107.01 1vrk h GLY 33 Ca 0.19 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1vrk h GLY 33 CO -0.01 0.63 0.17 -0.84 0.00 0.00 0.00 176.54 176.48 1vrk h THR 34 N 1.10 1.13 -0.07 4.70 2.02 -1.03 -2.08 112.91 118.68 1vrk h THR 34 Ca 0.25 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1vrk h THR 34 Cb 0.22 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1vrk h THR 34 CO -0.02 0.13 0.02 0.58 0.37 0.00 0.00 175.52 176.61 1vrk h VAL 35 N 0.37 1.16 -0.77 3.16 2.07 -1.32 -2.32 116.25 118.60 1vrk h VAL 35 Ca 0.11 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.21 1vrk h VAL 35 Cb 0.07 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1vrk h VAL 35 CO -0.02 0.13 0.51 0.24 0.02 0.00 0.00 177.57 178.45 1vrk h MET 36 N -0.06 0.85 -0.08 1.57 2.86 -1.32 -2.36 114.93 116.38 1vrk h MET 36 Ca 0.02 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.43 1vrk h MET 36 Cb 0.19 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1vrk h MET 36 CO -0.00 0.56 -0.72 0.00 1.06 0.00 0.00 176.91 177.81 1vrk h ARG 37 N 0.87 0.39 0.00 1.72 3.08 -1.27 0.86 114.38 120.03 1vrk h ARG 37 Ca 0.32 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1vrk h ARG 37 Cb 0.17 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1vrk h ARG 37 CO -0.11 0.95 0.00 0.66 -1.07 0.00 0.00 179.97 180.40 1vrk h SER 38 N 0.27 0.00 -0.24 7.04 4.64 -0.90 -0.46 113.55 123.89 1vrk h SER 38 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1vrk h SER 38 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1vrk h SER 38 CO 0.12 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.26 1vrk n LEU 39 N -2.83 2.54 0.00 5.97 4.77 -1.00 -4.91 117.00 121.54 1vrk n LEU 39 Ca 0.00 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1vrk n LEU 39 Cb 0.23 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1vrk n LEU 39 CO 0.23 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1vrk n GLY 40 N 1.31 0.71 3.91 -0.72 0.00 -0.18 -5.01 105.19 105.21 1vrk n GLY 40 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1vrk n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vrk s GLN 41 N -0.64 3.57 -0.48 1.61 -0.21 0.27 -4.97 119.66 118.82 1vrk s GLN 41 Ca 0.00 0.10 0.06 0.00 0.02 0.00 0.00 55.36 55.53 1vrk s GLN 41 Cb 0.00 -2.47 0.20 0.00 1.00 0.00 0.00 33.01 31.75 1vrk s GLN 41 CO 0.00 -0.07 0.46 -1.71 -2.12 0.00 0.00 175.29 171.85 1vrk n ASN 42 N -1.91 0.71 -4.86 5.90 5.15 -1.26 -3.73 115.26 115.25 1vrk n ASN 42 Ca -0.01 -2.71 -0.31 0.00 -0.60 0.00 0.00 54.58 50.95 1vrk n ASN 42 Cb 0.55 -0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 39.14 1vrk n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1vrk s PRO 43 N -0.82 3.91 0.48 1.20 0.04 -1.26 -5.09 135.00 133.45 1vrk s PRO 43 Ca 0.33 0.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 1vrk s PRO 43 Cb 0.08 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1vrk s PRO 43 CO -0.15 -0.04 0.71 0.95 0.04 0.00 0.00 177.00 178.51 1vrk s THR 44 N -2.32 3.88 0.21 1.26 -4.23 -1.26 -4.95 115.64 108.23 1vrk s THR 44 Ca 0.54 -0.42 -0.10 0.00 -1.18 0.00 0.00 61.69 60.54 1vrk s THR 44 Cb -0.10 -3.45 0.15 0.00 1.34 0.00 0.00 72.50 70.44 1vrk s THR 44 CO 0.27 -0.34 1.85 -0.08 -0.54 0.00 0.00 174.62 175.78 1vrk h GLU 45 N 0.29 0.87 -0.80 3.99 4.22 -1.99 -1.73 114.58 119.42 1vrk h GLU 45 Ca -0.46 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1vrk h GLU 45 Cb 1.26 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 1vrk h GLU 45 CO 0.58 0.58 0.50 0.00 -2.18 0.00 0.00 179.01 178.48 1vrk h ALA 46 N 1.30 1.02 -0.72 2.92 0.00 -1.99 -0.98 119.26 120.81 1vrk h ALA 46 Ca 0.29 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1vrk h ALA 46 Cb 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1vrk h ALA 46 CO -0.11 0.46 0.22 0.93 0.00 0.00 0.00 179.25 180.75 1vrk h GLU 47 N 1.09 1.11 -0.36 0.00 5.08 -1.79 -0.20 114.58 119.51 1vrk h GLU 47 Ca 0.29 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1vrk h GLU 47 Cb -0.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1vrk h GLU 47 CO -0.06 0.95 0.07 -0.07 -1.00 0.00 0.00 179.01 178.90 1vrk h LEU 48 N 1.07 0.57 -0.63 1.33 3.38 -0.78 -0.94 115.31 119.31 1vrk h LEU 48 Ca 0.23 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1vrk h LEU 48 Cb 0.30 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1vrk h LEU 48 CO -0.01 0.67 0.16 1.56 0.09 0.00 0.00 178.44 180.92 1vrk h GLN 49 N 0.44 1.00 -0.94 1.13 1.08 -0.99 -1.69 115.11 115.14 1vrk h GLN 49 Ca 0.11 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1vrk h GLN 49 Cb 0.34 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.59 1vrk h GLN 49 CO 0.00 0.90 0.56 -0.44 -0.95 0.00 0.00 178.83 178.90 1vrk h ASP 50 N 0.91 1.13 -0.49 1.46 3.32 -0.85 -0.01 116.42 121.90 1vrk h ASP 50 Ca 0.20 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1vrk h ASP 50 Cb 0.34 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1vrk h ASP 50 CO -0.00 0.87 0.15 0.24 -1.72 0.00 0.00 179.24 178.79 1vrk h MET 51 N 1.30 0.77 -0.60 3.56 2.86 -0.80 -2.71 114.93 119.30 1vrk h MET 51 Ca 0.34 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1vrk h MET 51 Cb -0.05 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 1vrk h MET 51 CO -0.06 0.72 0.04 0.82 1.06 0.00 0.00 176.91 179.49 1vrk h ILE 52 N 0.67 1.26 -0.25 -1.22 2.04 -0.82 -2.90 117.51 116.30 1vrk h ILE 52 Ca 0.16 -1.09 0.05 0.00 1.00 0.00 0.00 64.86 64.98 1vrk h ILE 52 Cb 0.28 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1vrk h ILE 52 CO -0.00 0.40 0.17 0.78 0.00 0.00 0.00 178.15 179.50 1vrk h ASN 53 N 0.94 0.11 -1.01 1.72 -0.26 -0.80 -1.36 115.58 114.92 1vrk h ASN 53 Ca 0.18 -0.00 0.08 0.00 -0.56 0.00 0.00 56.30 56.00 1vrk h ASN 53 Cb 0.50 -0.03 -0.07 0.00 -1.06 0.00 0.00 38.32 37.66 1vrk h ASN 53 CO 0.02 0.08 0.65 -0.33 -1.06 0.00 0.00 177.43 176.78 1vrk h GLU 54 N 0.13 1.09 -0.12 0.81 4.39 -1.26 -3.07 114.58 116.54 1vrk h GLU 54 Ca 0.11 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1vrk h GLU 54 Cb 0.28 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1vrk h GLU 54 CO -0.01 0.72 0.00 1.33 -1.16 0.00 0.00 179.01 179.89 1vrk n VAL 55 N -4.54 0.51 -1.53 3.13 0.24 -0.86 -4.89 118.33 110.39 1vrk n VAL 55 Ca 0.17 -0.76 -0.42 0.00 -2.04 0.00 0.00 64.34 61.29 1vrk n VAL 55 Cb 0.24 0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 33.40 1vrk n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1vrk n ASP 56 N 0.28 3.25 0.04 -1.34 2.03 -0.57 -4.78 116.55 115.47 1vrk n ASP 56 Ca 0.06 -2.76 0.14 0.00 0.52 0.00 0.00 54.79 52.75 1vrk n ASP 56 Cb 0.28 -1.41 0.61 0.00 -0.72 0.00 0.00 41.12 39.87 1vrk n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vrk h ALA 57 N 7.20 2.20 -0.11 -1.67 0.00 -1.90 -2.18 119.26 122.80 1vrk h ALA 57 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1vrk h ALA 57 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1vrk h ALA 57 CO 1.86 -0.30 0.00 -0.40 0.00 0.00 0.00 179.25 180.41 1vrk n ASP 58 N -4.45 2.98 -2.17 0.00 5.75 -1.26 -4.99 116.55 112.40 1vrk n ASP 58 Ca 0.06 -1.96 -0.19 0.00 -0.01 0.00 0.00 54.79 52.69 1vrk n ASP 58 Cb 0.38 -0.06 -0.01 0.00 -1.03 0.00 0.00 41.12 40.41 1vrk n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vrk n GLY 59 N 1.37 -0.41 1.08 6.12 0.00 -0.82 -4.91 105.19 107.61 1vrk n GLY 59 Ca 0.16 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1vrk n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vrk n ASN 60 N -1.63 3.14 0.00 1.61 6.94 -1.26 -4.94 115.26 119.11 1vrk n ASN 60 Ca -0.22 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.33 1vrk n ASN 60 Cb 0.67 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 1vrk n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vrk n GLY 61 N 1.42 1.45 3.31 4.83 0.00 -1.26 -5.00 105.19 109.94 1vrk n GLY 61 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1vrk n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vrk s THR 62 N -3.39 0.77 -0.26 2.61 -4.23 -1.26 -4.77 115.64 105.11 1vrk s THR 62 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.42 1vrk s THR 62 Cb 0.00 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1vrk s THR 62 CO 0.00 -0.23 0.10 -0.63 -0.54 0.00 0.00 174.62 173.32 1vrk s ILE 63 N -3.60 4.61 0.52 2.99 1.01 -0.64 -4.82 121.20 121.28 1vrk s ILE 63 Ca 0.31 -0.07 0.09 0.00 0.00 0.00 0.00 60.65 60.98 1vrk s ILE 63 Cb 0.07 -3.17 0.06 0.00 0.01 0.00 0.00 42.46 39.43 1vrk s ILE 63 CO 0.10 0.32 0.69 1.51 0.00 0.00 0.00 174.94 177.55 1vrk s ASP 64 N 1.63 5.24 0.16 3.58 1.47 -1.26 0.32 116.67 127.81 1vrk s ASP 64 Ca 0.06 -0.74 -0.16 0.00 1.18 0.00 0.00 52.55 52.89 1vrk s ASP 64 Cb -0.15 -0.01 0.08 0.00 -0.34 0.00 0.00 42.92 42.49 1vrk s ASP 64 CO 0.06 -1.13 1.73 0.15 0.68 0.00 0.00 175.17 176.65 1vrk h PHE 65 N 0.38 0.12 -0.94 2.11 3.57 -2.00 -2.01 116.94 118.17 1vrk h PHE 65 Ca -0.34 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.30 1vrk h PHE 65 Cb 1.29 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.95 1vrk h PHE 65 CO 0.46 0.02 0.60 -1.35 -2.23 0.00 0.00 178.31 175.81 1vrk h PRO 66 N 0.20 0.87 -0.23 6.41 0.11 -1.96 0.70 132.00 138.11 1vrk h PRO 66 Ca 0.17 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.07 1vrk h PRO 66 Cb 0.20 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1vrk h PRO 66 CO -0.23 0.58 -0.50 0.93 -0.21 0.00 0.00 178.00 178.57 1vrk h GLU 67 N 0.90 0.63 -0.40 1.05 5.08 -1.79 -2.20 114.58 117.85 1vrk h GLU 67 Ca 0.45 -0.37 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 1vrk h GLU 67 Cb 0.49 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1vrk h GLU 67 CO -0.22 0.98 -0.29 0.35 -1.00 0.00 0.00 179.01 178.84 1vrk h PHE 68 N 0.49 1.00 -0.48 4.33 3.57 -0.71 -1.79 116.94 123.36 1vrk h PHE 68 Ca 0.02 -0.26 -0.03 0.00 3.53 0.00 0.00 57.97 61.23 1vrk h PHE 68 Cb 1.05 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1vrk h PHE 68 CO 0.05 1.04 0.19 1.25 -2.23 0.00 0.00 178.31 178.61 1vrk h LEU 69 N 0.73 0.66 -1.13 0.59 5.85 -0.79 -1.11 115.31 120.11 1vrk h LEU 69 Ca 0.08 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 1vrk h LEU 69 Cb 0.84 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1vrk h LEU 69 CO 0.07 0.65 -0.32 0.78 -0.34 0.00 0.00 178.44 179.28 1vrk h ASN 70 N 0.63 0.20 -0.40 1.25 -0.26 -1.27 0.11 115.58 115.84 1vrk h ASN 70 Ca 0.16 -0.07 -0.07 0.00 -0.56 0.00 0.00 56.30 55.76 1vrk h ASN 70 Cb 0.19 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1vrk h ASN 70 CO -0.01 0.52 -0.03 0.25 -1.06 0.00 0.00 177.43 177.09 1vrk h LEU 71 N 0.18 0.72 -0.18 1.61 5.85 -0.86 -2.68 115.31 119.95 1vrk h LEU 71 Ca 0.02 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1vrk h LEU 71 Cb 0.66 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1vrk h LEU 71 CO 0.05 0.88 -0.14 0.24 -0.34 0.00 0.00 178.44 179.13 1vrk h MET 72 N 0.55 0.00 0.00 1.25 2.86 -0.89 -3.22 114.93 115.48 1vrk h MET 72 Ca 0.11 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1vrk h MET 72 Cb 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1vrk h MET 72 CO 0.03 0.14 -0.45 0.00 1.06 0.00 0.00 176.91 177.68 1vrk h ALA 73 N 1.86 0.76 -2.63 6.32 0.00 -0.71 -3.47 119.26 121.40 1vrk h ALA 73 Ca -0.00 -0.31 -0.56 0.00 0.00 0.00 0.00 54.91 54.04 1vrk h ALA 73 Cb 1.04 -0.02 0.10 0.00 0.00 0.00 0.00 17.79 18.91 1vrk h ALA 73 CO 0.02 0.41 0.67 0.54 0.00 0.00 0.00 179.25 180.88 1vrk n ARG 74 N -3.12 2.35 -4.06 0.00 1.74 -1.02 -0.91 116.66 111.64 1vrk n ARG 74 Ca 0.02 0.83 -0.35 0.00 -0.77 0.00 0.00 57.85 57.58 1vrk n ARG 74 Cb 0.67 -2.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.51 1vrk n ARG 74 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1vrk s LYS 75 N -1.35 3.72 0.36 5.56 -2.85 -1.26 -4.59 119.74 119.33 1vrk s LYS 75 Ca 0.59 -0.33 0.09 0.00 -1.00 0.00 0.00 55.97 55.32 1vrk s LYS 75 Cb -0.55 -3.13 -0.06 0.00 -2.06 0.00 0.00 37.83 32.03 1vrk s LYS 75 CO 0.57 0.42 -0.04 0.00 0.10 0.00 0.00 175.35 176.41 1vrk s MET 76 N -0.06 1.92 0.67 1.78 0.23 -1.26 -4.91 119.30 117.67 1vrk s MET 76 Ca 0.06 -1.92 -0.14 0.00 -1.03 0.00 0.00 55.69 52.66 1vrk s MET 76 Cb -0.12 -1.76 0.00 0.00 -1.53 0.00 0.00 34.83 31.42 1vrk s MET 76 CO 0.01 0.09 1.09 0.15 -2.03 0.00 0.00 175.02 174.33 1vrk s LYS 77 N -3.67 2.84 0.18 3.16 -0.14 -1.26 -4.78 119.74 116.07 1vrk s LYS 77 Ca 0.34 1.26 -0.19 0.00 -1.36 0.00 0.00 55.97 56.02 1vrk s LYS 77 Cb 0.03 -1.96 0.11 0.00 -1.68 0.00 0.00 37.83 34.33 1vrk s LYS 77 CO 0.18 -1.20 1.62 0.38 -0.76 0.00 0.00 175.35 175.57 1vrk h ASP 78 N -0.16 -0.78 0.21 2.83 2.03 -2.00 -0.10 116.42 118.45 1vrk h ASP 78 Ca -0.46 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 1vrk h ASP 78 Cb 1.23 0.41 0.00 0.00 -0.83 0.00 0.00 39.33 40.14 1vrk h ASP 78 CO 0.55 -0.25 0.00 0.71 -1.03 0.00 0.00 179.24 179.21 1vrk h THR 79 N -0.14 0.00 0.05 1.15 1.35 -2.00 -0.20 112.91 113.12 1vrk h THR 79 Ca 0.21 -0.09 -0.26 0.00 -0.55 0.00 0.00 66.41 65.72 1vrk h THR 79 Cb 0.47 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 1vrk h THR 79 CO -0.52 0.00 -1.38 0.44 -0.25 0.00 0.00 175.52 173.81 1vrk h ASP 80 N 0.00 0.15 -0.35 5.36 3.32 -1.50 -3.32 116.42 120.08 1vrk h ASP 80 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1vrk h ASP 80 Cb 0.11 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1vrk h ASP 80 CO 0.00 1.57 0.23 0.28 -1.72 0.00 0.00 179.24 179.60 1vrk h SER 81 N -0.66 0.41 -0.11 6.45 0.02 -0.47 -0.96 113.55 118.23 1vrk h SER 81 Ca -0.34 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1vrk h SER 81 Cb 1.52 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.94 1vrk h SER 81 CO -0.09 0.31 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.57 1vrk h GLU 82 N 0.48 0.04 -0.48 3.45 4.39 -1.25 0.12 114.58 121.32 1vrk h GLU 82 Ca 0.13 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1vrk h GLU 82 Cb -0.04 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1vrk h GLU 82 CO -0.03 0.02 0.27 1.49 -1.16 0.00 0.00 179.01 179.61 1vrk h GLU 83 N 0.04 0.66 -0.40 2.33 4.81 -1.62 -1.17 114.58 119.23 1vrk h GLU 83 Ca 0.05 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1vrk h GLU 83 Cb 0.06 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1vrk h GLU 83 CO -0.09 0.51 -0.03 0.87 -0.73 0.00 0.00 179.01 179.54 1vrk h LYS 84 N 0.63 0.65 -0.13 1.92 1.79 -0.92 0.15 116.57 120.67 1vrk h LYS 84 Ca 0.17 -0.17 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1vrk h LYS 84 Cb 0.03 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 1vrk h LYS 84 CO -0.03 0.69 -0.38 -0.07 -1.08 0.00 0.00 179.45 178.58 1vrk h LEU 85 N 0.61 0.29 -0.21 2.94 -0.00 -0.42 -1.61 115.31 116.92 1vrk h LEU 85 Ca 0.12 -0.12 -0.16 0.00 -0.00 0.00 0.00 57.88 57.72 1vrk h LEU 85 Cb 0.42 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1vrk h LEU 85 CO 0.02 0.65 -0.50 0.11 -0.00 0.00 0.00 178.44 178.72 1vrk h LYS 86 N 0.24 0.71 -0.72 1.13 1.57 -0.59 -1.91 116.57 117.00 1vrk h LYS 86 Ca 0.03 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1vrk h LYS 86 Cb 0.78 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1vrk h LYS 86 CO 0.06 1.11 0.33 0.93 -0.57 0.00 0.00 179.45 181.30 1vrk h GLU 87 N 0.42 1.03 -0.55 3.15 5.08 -0.82 -1.91 114.58 120.98 1vrk h GLU 87 Ca -0.00 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1vrk h GLU 87 Cb 1.12 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1vrk h GLU 87 CO 0.11 0.81 0.04 0.00 -1.00 0.00 0.00 179.01 178.97 1vrk h ALA 88 N 1.34 0.74 -0.70 3.43 0.00 -1.21 -2.85 119.26 120.01 1vrk h ALA 88 Ca 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vrk h ALA 88 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1vrk h ALA 88 CO -0.03 0.53 0.43 0.35 0.00 0.00 0.00 179.25 180.54 1vrk h PHE 89 N 0.84 0.91 -0.51 0.00 3.57 -0.94 -2.51 116.94 118.30 1vrk h PHE 89 Ca 0.16 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1vrk h PHE 89 Cb 0.48 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1vrk h PHE 89 CO 0.04 0.60 0.34 0.00 -2.23 0.00 0.00 178.31 177.06 1vrk h ARG 90 N 0.95 0.46 -0.16 1.11 3.08 -1.13 -1.25 114.38 117.43 1vrk h ARG 90 Ca 0.25 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1vrk h ARG 90 Cb -0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1vrk h ARG 90 CO -0.05 0.30 0.09 0.28 -1.07 0.00 0.00 179.97 179.53 1vrk h VAL 91 N 0.47 1.09 -0.11 2.04 2.07 -1.31 -3.15 116.25 117.36 1vrk h VAL 91 Ca 0.22 -0.24 -0.22 0.00 0.82 0.00 0.00 66.70 67.27 1vrk h VAL 91 Cb 0.26 0.96 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1vrk h VAL 91 CO -0.06 0.08 -0.82 -0.26 0.02 0.00 0.00 177.57 176.54 1vrk h PHE 92 N 0.17 0.94 -0.26 1.57 0.04 -1.50 -3.37 116.94 114.52 1vrk h PHE 92 Ca 0.06 -0.43 -0.60 0.00 2.80 0.00 0.00 57.97 59.79 1vrk h PHE 92 Cb 0.06 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1vrk h PHE 92 CO -0.04 1.25 2.21 -3.47 -0.60 0.00 0.00 178.31 177.65 1vrk n ASP 93 N -3.89 3.40 0.17 2.17 2.03 -0.51 -4.67 116.55 115.25 1vrk n ASP 93 Ca -0.07 -2.77 -0.16 0.00 0.52 0.00 0.00 54.79 52.31 1vrk n ASP 93 Cb 0.76 -1.50 -0.09 0.00 -0.72 0.00 0.00 41.12 39.58 1vrk n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1vrk h LYS 94 N 7.79 -0.76 0.00 -0.67 1.79 -1.75 -2.08 116.57 120.89 1vrk h LYS 94 Ca 0.42 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1vrk h LYS 94 Cb 0.76 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1vrk h LYS 94 CO 1.69 -0.51 0.00 -0.40 -1.08 0.00 0.00 179.45 179.15 1vrk n ASP 95 N -5.50 0.00 -3.05 0.86 5.68 -1.26 -4.91 116.55 108.37 1vrk n ASP 95 Ca -0.09 -0.71 -0.22 0.00 -0.50 0.00 0.00 54.79 53.28 1vrk n ASP 95 Cb 0.41 -0.03 0.02 0.00 -1.14 0.00 0.00 41.12 40.39 1vrk n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vrk n GLY 96 N 0.55 -0.51 0.61 6.12 0.00 -0.78 -4.87 105.19 106.31 1vrk n GLY 96 Ca 0.18 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.36 1vrk n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vrk n ASN 97 N -2.37 1.79 0.00 1.61 6.94 -1.26 -4.89 115.26 117.08 1vrk n ASN 97 Ca -0.09 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.53 1vrk n ASN 97 Cb 0.60 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 1vrk n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vrk n GLY 98 N 1.06 0.74 3.10 4.83 0.00 -1.26 -5.04 105.19 108.61 1vrk n GLY 98 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1vrk n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vrk s PHE 99 N -2.61 0.66 -0.22 1.61 0.08 -1.26 -4.46 117.98 111.77 1vrk s PHE 99 Ca 0.00 -0.79 -0.03 0.00 0.12 0.00 0.00 56.93 56.23 1vrk s PHE 99 Cb 0.00 -0.41 -0.00 0.00 -0.57 0.00 0.00 43.02 42.04 1vrk s PHE 99 CO 0.00 -0.19 -0.05 0.42 -0.10 0.00 0.00 175.22 175.30 1vrk s ILE 100 N -2.79 3.27 0.62 0.64 1.01 0.96 -4.69 121.20 120.22 1vrk s ILE 100 Ca 0.01 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.15 1vrk s ILE 100 Cb -0.00 -2.50 0.09 0.00 0.01 0.00 0.00 42.46 40.06 1vrk s ILE 100 CO -0.04 0.41 0.85 -0.94 0.00 0.00 0.00 174.94 175.22 1vrk s SER 101 N 1.46 4.86 0.15 3.58 1.04 -1.26 -1.28 113.70 122.24 1vrk s SER 101 Ca 0.05 -0.56 -0.13 0.00 0.48 0.00 0.00 55.95 55.79 1vrk s SER 101 Cb -0.14 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.02 1vrk s SER 101 CO -0.04 -1.49 1.63 0.00 0.98 0.00 0.00 173.24 174.32 1vrk h ALA 102 N -0.07 0.65 -0.40 5.32 0.00 -1.93 -2.37 119.26 120.45 1vrk h ALA 102 Ca -0.34 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.35 1vrk h ALA 102 Cb 1.28 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1vrk h ALA 102 CO 0.42 0.38 0.24 0.00 0.00 0.00 0.00 179.25 180.28 1vrk h ALA 103 N 0.97 0.51 -0.61 0.00 0.00 -1.98 -0.62 119.26 117.52 1vrk h ALA 103 Ca 0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1vrk h ALA 103 Cb 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1vrk h ALA 103 CO 0.01 -0.10 0.09 0.93 0.00 0.00 0.00 179.25 180.18 1vrk h GLU 104 N 0.48 1.02 -0.05 0.00 5.08 -1.86 0.10 114.58 119.35 1vrk h GLU 104 Ca 0.16 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1vrk h GLU 104 Cb 0.01 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1vrk h GLU 104 CO -0.08 0.96 0.02 1.25 -1.00 0.00 0.00 179.01 180.16 1vrk h LEU 105 N 0.93 0.07 -1.08 1.33 6.46 -1.21 -1.88 115.31 119.94 1vrk h LEU 105 Ca 0.18 -0.18 0.03 0.00 -0.12 0.00 0.00 57.88 57.80 1vrk h LEU 105 Cb 0.44 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 1vrk h LEU 105 CO 0.01 0.24 0.62 -0.09 -0.62 0.00 0.00 178.44 178.60 1vrk h ARG 106 N -0.09 1.17 -0.11 1.25 2.43 -0.99 -1.82 114.38 116.22 1vrk h ARG 106 Ca 0.02 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1vrk h ARG 106 Cb 0.19 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1vrk h ARG 106 CO -0.00 0.77 0.05 1.25 -1.51 0.00 0.00 179.97 180.53 1vrk h HIS 107 N 1.20 0.15 -0.63 2.20 2.76 -0.71 0.07 115.15 120.19 1vrk h HIS 107 Ca 0.38 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.47 1vrk h HIS 107 Cb -0.00 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 1vrk h HIS 107 CO -0.00 0.22 0.13 0.28 -1.30 0.00 0.00 177.93 177.26 1vrk h VAL 108 N 0.04 1.25 -0.11 5.26 2.07 -1.00 -1.67 116.25 122.10 1vrk h VAL 108 Ca 0.04 -0.95 -0.15 0.00 0.82 0.00 0.00 66.70 66.46 1vrk h VAL 108 Cb 0.12 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1vrk h VAL 108 CO -0.00 0.36 -0.58 0.24 0.02 0.00 0.00 177.57 177.60 1vrk h MET 109 N 0.96 0.35 -0.32 1.57 2.86 -1.22 -2.39 114.93 116.74 1vrk h MET 109 Ca 0.20 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 1vrk h MET 109 Cb 0.37 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1vrk h MET 109 CO 0.00 0.83 -0.26 1.15 1.06 0.00 0.00 176.91 179.70 1vrk h THR 110 N 0.27 1.29 -0.04 2.22 2.02 -0.78 -1.26 112.91 116.64 1vrk h THR 110 Ca -0.00 -1.41 -0.06 0.00 0.77 0.00 0.00 66.41 65.71 1vrk h THR 110 Cb 1.09 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 1vrk h THR 110 CO 0.10 0.46 -0.24 0.78 0.37 0.00 0.00 175.52 176.98 1vrk h ASN 111 N 0.50 0.06 0.65 4.18 -0.26 -1.27 -1.90 115.58 117.53 1vrk h ASN 111 Ca 0.06 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1vrk h ASN 111 Cb 0.82 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 1vrk h ASN 111 CO 0.07 0.31 0.00 0.18 -1.06 0.00 0.00 177.43 176.93 1vrk n LEU 112 N -4.22 0.00 0.00 1.61 4.32 -0.91 -4.90 117.00 112.90 1vrk n LEU 112 Ca -0.02 0.41 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 1vrk n LEU 112 Cb 0.31 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 1vrk n LEU 112 CO 0.38 -0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.07 1vrk n GLY 113 N 0.82 0.66 3.80 -0.72 0.00 -0.71 -4.95 105.19 104.09 1vrk n GLY 113 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1vrk n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vrk s GLU 114 N -0.99 4.29 -0.45 1.61 2.02 -0.49 -5.01 118.70 119.69 1vrk s GLU 114 Ca 0.00 0.84 -0.15 0.00 0.02 0.00 0.00 54.97 55.69 1vrk s GLU 114 Cb 0.00 -3.24 0.06 0.00 0.10 0.00 0.00 34.13 31.05 1vrk s GLU 114 CO 0.00 0.62 0.35 -1.59 0.02 0.00 0.00 175.26 174.66 1vrk s LYS 115 N -1.14 2.93 -0.07 1.61 -2.85 -1.26 -4.03 119.74 114.93 1vrk s LYS 115 Ca 0.31 -1.28 0.01 0.00 -1.00 0.00 0.00 55.97 54.01 1vrk s LYS 115 Cb -0.20 -4.05 -0.03 0.00 -2.06 0.00 0.00 37.83 31.49 1vrk s LYS 115 CO 0.21 -0.94 -0.08 -0.51 0.10 0.00 0.00 175.35 174.13 1vrk s LEU 116 N 1.62 3.12 0.74 2.77 2.01 -1.26 -5.12 118.68 122.56 1vrk s LEU 116 Ca 0.04 -0.04 -0.11 0.00 0.01 0.00 0.00 54.13 54.03 1vrk s LEU 116 Cb -0.23 -1.68 0.05 0.00 0.01 0.00 0.00 46.19 44.34 1vrk s LEU 116 CO 0.07 0.35 1.11 0.42 1.01 0.00 0.00 176.35 179.31 1vrk s THR 117 N -0.76 2.71 0.28 5.49 -4.23 -1.26 -4.97 115.64 112.90 1vrk s THR 117 Ca 0.12 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1vrk s THR 117 Cb -0.11 -3.21 0.08 0.00 1.34 0.00 0.00 72.50 70.60 1vrk s THR 117 CO 0.01 -0.27 1.74 0.44 -0.54 0.00 0.00 174.62 176.00 1vrk h ASP 118 N -0.79 0.51 -0.26 3.99 3.32 -2.01 -3.12 116.42 118.06 1vrk h ASP 118 Ca -0.45 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.29 1vrk h ASP 118 Cb 1.29 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1vrk h ASP 118 CO 0.64 0.73 -0.43 1.05 -1.72 0.00 0.00 179.24 179.51 1vrk h GLU 119 N 0.47 0.75 -0.55 3.56 4.11 -1.99 -3.09 114.58 117.84 1vrk h GLU 119 Ca 0.07 -0.46 0.06 0.00 0.07 0.00 0.00 59.36 59.11 1vrk h GLU 119 Cb 0.61 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1vrk h GLU 119 CO 0.04 1.08 0.25 0.93 0.07 0.00 0.00 179.01 181.39 1vrk h GLU 120 N 0.49 0.47 -0.36 1.06 5.08 -1.93 -0.40 114.58 118.99 1vrk h GLU 120 Ca 0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1vrk h GLU 120 Cb 1.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1vrk h GLU 120 CO 0.10 0.31 0.14 0.28 -1.00 0.00 0.00 179.01 178.84 1vrk h VAL 121 N 0.48 1.19 0.00 3.13 2.07 -1.61 -1.85 116.25 119.66 1vrk h VAL 121 Ca 0.25 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1vrk h VAL 121 Cb 0.21 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1vrk h VAL 121 CO -0.20 0.21 -0.28 0.44 0.02 0.00 0.00 177.57 177.75 1vrk h ASP 122 N 0.43 0.00 -0.34 0.57 3.32 -1.39 -1.01 116.42 118.01 1vrk h ASP 122 Ca 0.12 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.00 1vrk h ASP 122 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1vrk h ASP 122 CO -0.01 0.28 -0.43 -0.08 -1.72 0.00 0.00 179.24 177.28 1vrk h GLU 123 N 0.00 0.89 -0.49 3.56 4.81 -0.81 -2.66 114.58 119.88 1vrk h GLU 123 Ca -0.00 -0.51 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 1vrk h GLU 123 Cb 0.51 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1vrk h GLU 123 CO 0.04 1.15 0.01 0.52 -0.73 0.00 0.00 179.01 180.00 1vrk h MET 124 N 0.69 0.86 -0.82 1.92 2.86 -0.80 -2.67 114.93 116.96 1vrk h MET 124 Ca 0.04 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1vrk h MET 124 Cb 1.03 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.57 1vrk h MET 124 CO 0.10 0.89 0.47 0.82 1.06 0.00 0.00 176.91 180.26 1vrk h ILE 125 N 0.72 1.24 0.00 -1.22 1.08 -1.16 -2.81 117.51 115.35 1vrk h ILE 125 Ca 0.14 -0.55 -0.10 0.00 -0.39 0.00 0.00 64.86 63.96 1vrk h ILE 125 Cb 0.50 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 1vrk h ILE 125 CO 0.02 0.25 -0.47 0.03 -0.69 0.00 0.00 178.15 177.29 1vrk h ARG 126 N 1.13 0.00 -0.42 2.37 3.08 -1.36 -0.61 114.38 118.57 1vrk h ARG 126 Ca 0.29 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.20 1vrk h ARG 126 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1vrk h ARG 126 CO -0.05 0.47 -0.28 1.05 -1.07 0.00 0.00 179.97 180.10 1vrk h GLU 127 N 0.00 0.93 0.00 0.04 4.11 -1.22 -3.19 114.58 115.25 1vrk h GLU 127 Ca -0.00 -0.44 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1vrk h GLU 127 Cb 0.91 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1vrk h GLU 127 CO 0.06 1.10 -0.61 0.00 0.07 0.00 0.00 179.01 179.63 1vrk h ALA 128 N 0.81 0.66 -0.85 1.06 0.00 -1.44 -3.43 119.26 116.07 1vrk h ALA 128 Ca 0.08 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.50 1vrk h ALA 128 Cb 0.86 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1vrk h ALA 128 CO 0.08 0.00 1.39 0.34 0.00 0.00 0.00 179.25 181.05 1vrk s ASP 129 N -5.06 5.99 -0.02 0.00 2.15 -0.25 -4.80 116.67 114.69 1vrk s ASP 129 Ca 0.04 -1.50 -0.14 0.00 0.43 0.00 0.00 52.55 51.37 1vrk s ASP 129 Cb 0.10 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 40.07 1vrk s ASP 129 CO 0.73 -2.01 0.70 0.58 -0.17 0.00 0.00 175.17 175.00 1vrk h VAL 130 N 6.55 0.00 0.00 1.11 2.07 -1.85 -3.26 116.25 120.87 1vrk h VAL 130 Ca 0.23 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1vrk h VAL 130 Cb 0.97 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1vrk h VAL 130 CO 1.35 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 178.04 1vrk n ASP 131 N -4.53 0.00 -3.13 0.57 5.68 -1.26 -4.88 116.55 109.00 1vrk n ASP 131 Ca -0.06 -0.06 -0.19 0.00 -0.50 0.00 0.00 54.79 53.98 1vrk n ASP 131 Cb 0.21 -0.14 0.07 0.00 -1.14 0.00 0.00 41.12 40.11 1vrk n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vrk n GLY 132 N -0.49 -0.31 1.09 6.12 0.00 -1.23 -4.94 105.19 105.42 1vrk n GLY 132 Ca 0.05 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1vrk n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vrk n ASP 133 N -2.49 3.86 0.00 1.61 5.75 -1.26 -4.96 116.55 119.06 1vrk n ASP 133 Ca -0.06 -2.36 0.00 0.00 -0.01 0.00 0.00 54.79 52.35 1vrk n ASP 133 Cb 0.58 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1vrk n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vrk n GLY 134 N 0.63 2.99 3.37 6.12 0.00 -1.26 -4.97 105.19 112.07 1vrk n GLY 134 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1vrk n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vrk n GLN 135 N -2.00 0.84 -4.02 1.61 6.02 -1.26 -4.74 117.38 113.83 1vrk n GLN 135 Ca 0.00 -3.44 -0.29 0.00 -0.01 0.00 0.00 57.00 53.26 1vrk n GLN 135 Cb 0.00 0.98 -0.17 0.00 1.02 0.00 0.00 30.24 32.07 1vrk n GLN 135 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1vrk s VAL 136 N -2.73 1.41 0.37 5.09 1.01 -0.40 -4.62 120.40 120.52 1vrk s VAL 136 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1vrk s VAL 136 Cb 0.00 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 35.11 1vrk s VAL 136 CO 0.01 0.43 0.50 -0.46 0.00 0.00 0.00 175.10 175.58 1vrk n ASN 137 N 4.77 0.73 -0.12 3.32 0.23 -1.26 -0.03 115.26 122.91 1vrk n ASN 137 Ca -0.16 -1.60 -0.06 0.00 -0.53 0.00 0.00 54.58 52.22 1vrk n ASN 137 Cb 0.50 -0.32 0.02 0.00 -2.08 0.00 0.00 39.78 37.90 1vrk n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1vrk h TYR 138 N -0.44 0.31 -0.86 -2.53 3.20 -1.99 -0.45 116.97 114.21 1vrk h TYR 138 Ca -0.17 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1vrk h TYR 138 Cb 0.63 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 1vrk h TYR 138 CO 0.00 0.15 0.51 1.49 -1.64 0.00 0.00 178.16 178.66 1vrk h GLU 139 N 0.35 1.17 -0.03 1.82 4.81 -1.98 0.28 114.58 121.00 1vrk h GLU 139 Ca 0.17 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 1vrk h GLU 139 Cb 0.11 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1vrk h GLU 139 CO -0.14 0.83 -0.65 0.93 -0.73 0.00 0.00 179.01 179.25 1vrk h GLU 140 N 1.18 0.11 -0.10 1.92 5.08 -1.83 -2.83 114.58 118.11 1vrk h GLU 140 Ca 0.31 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1vrk h GLU 140 Cb -0.03 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1vrk h GLU 140 CO -0.06 0.72 0.01 0.35 -1.00 0.00 0.00 179.01 179.03 1vrk h PHE 141 N 0.08 0.19 -0.75 4.33 3.57 -0.41 -2.53 116.94 121.41 1vrk h PHE 141 Ca -0.01 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1vrk h PHE 141 Cb 1.16 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 1vrk h PHE 141 CO 0.01 0.40 0.46 0.28 -2.23 0.00 0.00 178.31 177.23 1vrk h VAL 142 N -0.08 1.21 -0.52 1.41 2.07 -0.95 -1.42 116.25 117.97 1vrk h VAL 142 Ca 0.03 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 66.99 1vrk h VAL 142 Cb 0.32 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1vrk h VAL 142 CO 0.00 0.21 -0.13 1.56 0.02 0.00 0.00 177.57 179.24 1vrk h GLN 143 N 1.03 1.01 0.06 1.57 4.20 -1.41 -2.37 115.11 119.21 1vrk h GLN 143 Ca 0.27 -0.39 -0.22 0.00 0.06 0.00 0.00 58.65 58.38 1vrk h GLN 143 Cb -0.05 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 27.69 1vrk h GLN 143 CO -0.05 1.07 -0.89 -0.24 -0.67 0.00 0.00 178.83 178.04 1vrk h VAL 144 N 0.88 1.38 -0.09 -0.54 3.04 -1.26 -3.08 116.25 116.58 1vrk h VAL 144 Ca 0.13 -2.30 -0.01 0.00 -1.01 0.00 0.00 66.70 63.52 1vrk h VAL 144 Cb 0.70 2.71 -0.00 0.00 -2.01 0.00 0.00 31.29 32.68 1vrk h VAL 144 CO 0.05 0.68 0.03 0.24 -1.01 0.00 0.00 177.57 177.56 1vrk h MET 145 N 0.03 0.13 -0.14 4.17 2.86 -1.32 -3.11 114.93 117.56 1vrk h MET 145 Ca -0.13 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1vrk h MET 145 Cb 1.61 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.25 1vrk h MET 145 CO 0.17 0.28 0.00 -1.33 1.06 0.00 0.00 176.91 177.09 1vrk n MET 146 N -4.92 1.48 -1.76 1.72 2.81 -0.89 -4.91 117.12 110.64 1vrk n MET 146 Ca -0.06 -0.72 -0.42 0.00 -1.81 0.00 0.00 57.70 54.69 1vrk n MET 146 Cb 0.13 -1.30 -0.03 0.00 -0.71 0.00 0.00 33.22 31.31 1vrk n MET 146 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vrk s ALA 147 N -1.82 3.68 0.00 3.04 0.00 -1.16 -5.05 121.76 120.45 1vrk s ALA 147 Ca 0.25 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1vrk s ALA 147 Cb 0.13 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1vrk s ALA 147 CO 0.20 -1.34 0.00 1.17 0.00 0.00 0.00 175.76 175.79