#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkg h SER 3 N 0.00 0.00 -3.88 0.00 4.64 -2.11 -3.42 113.55 108.78 1jkg h SER 3 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1jkg h SER 3 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 1jkg h SER 3 CO 0.00 0.03 -0.77 -0.69 -0.87 0.00 0.00 176.83 174.53 1jkg s VAL 4 N -3.78 0.55 0.30 0.95 1.01 -1.26 -5.12 120.40 113.05 1jkg s VAL 4 Ca -0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1jkg s VAL 4 Cb 0.10 -0.48 -0.12 0.00 0.00 0.00 0.00 36.38 35.88 1jkg s VAL 4 CO 0.54 0.17 1.49 -0.67 0.00 0.00 0.00 175.10 176.62 1jkg n ASP 5 N 3.10 3.40 -0.32 3.32 2.03 -1.26 -4.90 116.55 121.92 1jkg n ASP 5 Ca -0.15 1.16 -0.02 0.00 0.52 0.00 0.00 54.79 56.30 1jkg n ASP 5 Cb 0.56 -1.54 0.10 0.00 -0.72 0.00 0.00 41.12 39.53 1jkg n ASP 5 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1jkg h PHE 6 N 4.09 1.08 -0.20 -0.67 3.57 -2.00 -1.61 116.94 121.20 1jkg h PHE 6 Ca -0.47 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.12 1jkg h PHE 6 Cb 1.25 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1jkg h PHE 6 CO 0.56 0.64 0.15 -0.22 -2.23 0.00 0.00 178.31 177.21 1jkg h LYS 7 N 1.13 0.01 -0.66 1.11 3.64 -1.99 -0.12 116.57 119.69 1jkg h LYS 7 Ca 0.34 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1jkg h LYS 7 Cb -0.05 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1jkg h LYS 7 CO -0.10 0.01 0.30 1.15 -2.27 0.00 0.00 179.45 178.53 1jkg h THR 8 N 0.01 1.23 -0.41 1.00 2.02 -1.66 0.24 112.91 115.34 1jkg h THR 8 Ca 0.10 -0.67 -0.13 0.00 0.77 0.00 0.00 66.41 66.47 1jkg h THR 8 Cb 0.38 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1jkg h THR 8 CO -0.00 0.27 -0.27 1.88 0.37 0.00 0.00 175.52 177.77 1jkg h TYR 9 N 0.91 1.00 -0.36 3.16 -1.99 -1.04 -1.60 116.97 117.05 1jkg h TYR 9 Ca 0.22 -0.25 -0.07 0.00 2.00 0.00 0.00 58.73 60.63 1jkg h TYR 9 Cb 0.15 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 1jkg h TYR 9 CO 0.01 1.03 -0.06 0.28 -0.00 0.00 0.00 178.16 179.41 1jkg h VAL 10 N 0.74 1.27 -0.22 -2.88 2.07 -0.97 -0.15 116.25 116.11 1jkg h VAL 10 Ca 0.09 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1jkg h VAL 10 Cb 0.82 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1jkg h VAL 10 CO 0.07 0.37 0.08 0.44 0.02 0.00 0.00 177.57 178.55 1jkg h ASP 11 N 0.48 0.32 -0.83 0.57 3.32 -0.92 -2.01 116.42 117.34 1jkg h ASP 11 Ca 0.09 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 56.99 1jkg h ASP 11 Cb 0.56 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 1jkg h ASP 11 CO 0.03 0.41 0.54 -0.61 -1.72 0.00 0.00 179.24 177.89 1jkg h GLN 12 N 0.20 1.03 -0.47 3.56 4.15 -1.22 -1.95 115.11 120.41 1jkg h GLN 12 Ca 0.07 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1jkg h GLN 12 Cb 0.20 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1jkg h GLN 12 CO -0.00 0.68 0.28 0.00 -1.93 0.00 0.00 178.83 177.86 1jkg h ALA 13 N 1.33 0.60 -0.42 3.38 0.00 -0.81 -0.73 119.26 122.61 1jkg h ALA 13 Ca 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1jkg h ALA 13 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1jkg h ALA 13 CO -0.10 0.08 0.16 0.00 0.00 0.00 0.00 179.25 179.39 1jkg h ARG 15 N 0.54 0.41 -0.77 0.00 2.43 -1.21 -0.35 114.38 115.42 1jkg h ARG 15 Ca 0.14 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1jkg h ARG 15 Cb 0.21 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1jkg h ARG 15 CO -0.01 0.49 0.39 0.00 -1.51 0.00 0.00 179.97 179.34 1jkg h ALA 16 N 0.90 1.00 -0.08 2.80 0.00 -1.06 -2.29 119.26 120.52 1jkg h ALA 16 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1jkg h ALA 16 Cb 0.26 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jkg h ALA 16 CO -0.00 0.54 -0.08 0.00 0.00 0.00 0.00 179.25 179.71 1jkg h ALA 17 N 1.20 0.11 -0.65 0.00 0.00 -0.95 -1.09 119.26 117.89 1jkg h ALA 17 Ca 0.27 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jkg h ALA 17 Cb 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1jkg h ALA 17 CO -0.04 -0.07 0.39 1.05 0.00 0.00 0.00 179.25 180.58 1jkg h GLU 18 N -0.24 0.88 -0.20 0.00 4.11 -1.03 -0.17 114.58 117.93 1jkg h GLU 18 Ca 0.01 -0.08 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 1jkg h GLU 18 Cb 0.59 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1jkg h GLU 18 CO 0.02 0.64 -0.23 0.93 0.07 0.00 0.00 179.01 180.44 1jkg h GLU 19 N 0.88 0.51 -0.69 1.06 5.08 -1.47 -2.72 114.58 117.24 1jkg h GLU 19 Ca 0.23 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1jkg h GLU 19 Cb -0.02 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1jkg h GLU 19 CO -0.04 0.87 0.36 0.35 -1.00 0.00 0.00 179.01 179.54 1jkg h PHE 20 N 0.19 0.96 -0.79 4.33 3.57 -1.02 -1.93 116.94 122.24 1jkg h PHE 20 Ca 0.03 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1jkg h PHE 20 Cb 0.78 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1jkg h PHE 20 CO 0.08 0.69 0.52 0.28 -2.23 0.00 0.00 178.31 177.65 1jkg h VAL 21 N 0.94 1.20 -0.05 1.41 2.07 -1.03 0.40 116.25 121.20 1jkg h VAL 21 Ca 0.24 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1jkg h VAL 21 Cb 0.07 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1jkg h VAL 21 CO -0.04 0.20 -0.04 -1.13 0.02 0.00 0.00 177.57 176.58 1jkg h ASN 22 N 1.07 -0.13 -0.39 0.57 -0.00 -1.13 -2.32 115.58 113.25 1jkg h ASN 22 Ca 0.29 0.03 -0.02 0.00 -0.00 0.00 0.00 56.30 56.59 1jkg h ASN 22 Cb -0.12 0.07 -0.02 0.00 -0.00 0.00 0.00 38.32 38.25 1jkg h ASN 22 CO -0.06 -0.06 0.15 0.58 -0.00 0.00 0.00 177.43 178.04 1jkg h VAL 23 N -0.05 1.19 0.32 2.57 2.07 -0.87 -2.46 116.25 119.03 1jkg h VAL 23 Ca 0.04 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1jkg h VAL 23 Cb 0.10 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1jkg h VAL 23 CO -0.08 0.22 -0.35 0.22 0.02 0.00 0.00 177.57 177.59 1jkg h TYR 24 N 0.48 -0.96 0.00 1.57 3.20 -0.00 -0.62 116.97 120.64 1jkg h TYR 24 Ca 0.13 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 1jkg h TYR 24 Cb 0.19 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1jkg h TYR 24 CO -0.00 -0.49 -0.56 1.88 -1.64 0.00 0.00 178.16 177.34 1jkg h TYR 25 N -0.71 0.00 -0.27 -3.82 -1.99 -1.50 0.53 116.97 109.21 1jkg h TYR 25 Ca -0.02 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 1jkg h TYR 25 Cb 0.65 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 1jkg h TYR 25 CO -0.22 0.56 0.07 1.15 -0.00 0.00 0.00 178.16 179.72 1jkg h THR 26 N 0.00 1.21 -0.45 -2.88 2.02 -1.34 -1.51 112.91 109.96 1jkg h THR 26 Ca -0.01 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 1jkg h THR 26 Cb 1.12 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1jkg h THR 26 CO 0.07 0.22 0.08 0.74 0.37 0.00 0.00 175.52 177.01 1jkg h THR 27 N 0.26 1.24 -0.69 3.16 2.02 -0.95 0.15 112.91 118.10 1jkg h THR 27 Ca 0.08 -0.88 0.08 0.00 0.77 0.00 0.00 66.41 66.46 1jkg h THR 27 Cb 0.28 0.95 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 1jkg h THR 27 CO 0.00 0.31 0.37 -0.03 0.37 0.00 0.00 175.52 176.53 1jkg h MET 28 N 0.60 0.63 0.16 6.66 -1.53 -0.71 0.30 114.93 121.04 1jkg h MET 28 Ca 0.14 -0.04 -0.32 0.00 -3.44 0.00 0.00 59.70 56.04 1jkg h MET 28 Cb 0.37 -0.14 0.01 0.00 -0.55 0.00 0.00 31.60 31.28 1jkg h MET 28 CO 0.01 0.42 -1.53 -0.44 0.14 0.00 0.00 176.91 175.51 1jkg h ASP 29 N 0.65 0.53 -0.00 1.39 3.32 -1.10 -3.37 116.42 117.84 1jkg h ASP 29 Ca 0.33 -0.68 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1jkg h ASP 29 Cb 0.28 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1jkg h ASP 29 CO -0.23 1.56 -0.10 0.29 -1.72 0.00 0.00 179.24 179.04 1jkg n LYS 30 N -3.54 2.56 -2.71 3.56 5.02 0.51 -4.68 118.16 118.87 1jkg n LYS 30 Ca -0.17 -0.40 -0.08 0.00 -2.02 0.00 0.00 58.31 55.63 1jkg n LYS 30 Cb 1.06 -0.90 0.08 0.00 -0.02 0.00 0.00 35.03 35.25 1jkg n LYS 30 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1jkg n ARG 31 N -0.40 1.16 -0.32 1.97 3.00 0.90 -4.99 116.66 117.98 1jkg n ARG 31 Ca 0.02 -2.43 0.17 0.00 -0.00 0.00 0.00 57.85 55.61 1jkg n ARG 31 Cb 0.09 -0.63 0.36 0.00 0.00 0.00 0.00 32.46 32.28 1jkg n ARG 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1jkg h ARG 32 N 2.48 0.14 0.00 -0.14 9.65 -1.30 -0.17 114.38 125.05 1jkg h ARG 32 Ca -0.18 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1jkg h ARG 32 Cb 1.23 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1jkg h ARG 32 CO 0.18 0.09 0.00 0.54 2.80 0.00 0.00 179.97 183.58 1jkg n ARG 33 N -5.27 0.14 0.00 0.20 1.74 -1.26 -1.70 116.66 110.51 1jkg n ARG 33 Ca 0.25 0.55 0.11 0.00 -0.77 0.00 0.00 57.85 57.99 1jkg n ARG 33 Cb 0.83 -1.89 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 1jkg n ARG 33 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1jkg n LEU 34 N -2.18 0.75 -0.27 0.55 7.94 -0.08 -4.54 117.00 119.17 1jkg n LEU 34 Ca -0.00 -0.28 0.03 0.00 -1.11 0.00 0.00 56.01 54.65 1jkg n LEU 34 Cb 0.10 -0.06 0.16 0.00 0.53 0.00 0.00 43.42 44.16 1jkg n LEU 34 CO 0.12 0.17 1.10 0.25 -1.11 0.00 0.00 177.39 177.93 1jkg h LEU 35 N 0.00 0.56 -2.60 -1.96 5.85 -1.37 -1.93 115.31 113.86 1jkg h LEU 35 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1jkg h LEU 35 Cb 0.59 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1jkg h LEU 35 CO 0.00 0.31 0.00 0.77 -0.34 0.00 0.00 178.44 179.18 1jkg h SER 36 N 0.69 0.00 0.90 1.25 4.64 -1.80 -0.63 113.55 118.60 1jkg h SER 36 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1jkg h SER 36 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1jkg h SER 36 CO -0.27 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.23 1jkg n ARG 37 N -2.99 0.13 0.00 4.77 1.74 -0.73 -2.03 116.66 117.55 1jkg n ARG 37 Ca -0.02 0.25 0.14 0.00 -0.77 0.00 0.00 57.85 57.46 1jkg n ARG 37 Cb 0.10 -1.70 0.64 0.00 -1.02 0.00 0.00 32.46 30.48 1jkg n ARG 37 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jkg n LEU 38 N -1.92 0.78 -4.72 0.55 4.77 -0.24 -4.86 117.00 111.36 1jkg n LEU 38 Ca 0.04 -0.20 -0.27 0.00 -0.03 0.00 0.00 56.01 55.55 1jkg n LEU 38 Cb 0.28 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1jkg n LEU 38 CO 0.22 0.14 -0.29 -0.31 -1.33 0.00 0.00 177.39 175.82 1jkg s TYR 39 N -2.20 3.00 0.61 -1.77 1.51 -0.86 -1.17 117.35 116.47 1jkg s TYR 39 Ca 0.36 -0.06 -0.15 0.00 -1.01 0.00 0.00 57.07 56.21 1jkg s TYR 39 Cb 0.21 -1.47 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1jkg s TYR 39 CO 0.40 0.51 1.05 -1.64 -1.11 0.00 0.00 175.55 174.77 1jkg s MET 40 N -2.88 3.26 0.35 -0.62 -1.94 -0.11 -4.82 119.30 112.55 1jkg s MET 40 Ca 0.29 1.13 0.06 0.00 -1.71 0.00 0.00 55.69 55.46 1jkg s MET 40 Cb -0.10 -2.03 0.74 0.00 2.01 0.00 0.00 34.83 35.45 1jkg s MET 40 CO 0.21 -0.85 1.93 0.78 -0.01 0.00 0.00 175.02 177.07 1jkg h GLY 41 N 0.19 1.05 -1.17 -0.03 0.00 -1.94 -1.77 103.07 99.40 1jkg h GLY 41 Ca -0.46 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1jkg h GLY 41 CO 0.57 0.20 0.00 -1.30 0.00 0.00 0.00 176.54 176.01 1jkg n THR 42 N -4.50 0.15 -1.63 4.70 -2.24 -1.26 -2.09 114.28 107.42 1jkg n THR 42 Ca 0.13 -0.41 -0.37 0.00 -2.27 0.00 0.00 64.05 61.12 1jkg n THR 42 Cb 0.29 0.73 0.07 0.00 -2.10 0.00 0.00 70.33 69.31 1jkg n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jkg n ALA 43 N 0.67 0.59 -2.33 6.98 0.00 -0.67 -4.47 120.51 121.28 1jkg n ALA 43 Ca 0.17 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.41 1jkg n ALA 43 Cb 0.44 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 1jkg n ALA 43 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jkg s THR 44 N -1.50 1.40 -0.03 0.00 -4.23 -1.24 -1.23 115.64 108.82 1jkg s THR 44 Ca 0.79 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1jkg s THR 44 Cb -0.39 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1jkg s THR 44 CO 0.44 -0.53 0.02 -0.22 -0.54 0.00 0.00 174.62 173.79 1jkg s LEU 45 N -3.29 1.07 -0.45 4.79 2.96 0.31 -1.32 118.68 122.76 1jkg s LEU 45 Ca 0.23 0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 54.05 1jkg s LEU 45 Cb 0.02 -0.15 0.09 0.00 0.50 0.00 0.00 46.19 46.65 1jkg s LEU 45 CO 0.06 -0.12 0.31 -0.69 -1.32 0.00 0.00 176.35 174.59 1jkg s VAL 46 N 1.11 4.37 -0.41 1.68 1.01 -0.54 0.06 120.40 127.68 1jkg s VAL 46 Ca -0.09 -1.49 -0.12 0.00 0.00 0.00 0.00 61.98 60.28 1jkg s VAL 46 Cb -0.13 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.56 1jkg s VAL 46 CO -0.02 -0.61 0.27 0.86 0.00 0.00 0.00 175.10 175.59 1jkg s TRP 47 N 1.43 3.26 -1.46 5.22 -0.00 0.98 -1.00 118.94 127.38 1jkg s TRP 47 Ca 0.04 -1.02 -0.03 0.00 -0.00 0.00 0.00 56.10 55.09 1jkg s TRP 47 Cb -0.24 -2.70 0.02 0.00 -0.00 0.00 0.00 33.47 30.54 1jkg s TRP 47 CO 0.02 -0.71 0.43 0.09 -0.00 0.00 0.00 176.95 176.78 1jkg n ASN 48 N 5.04 -0.61 0.00 5.86 3.02 0.13 -0.63 115.26 128.08 1jkg n ASN 48 Ca -0.11 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 1jkg n ASN 48 Cb 0.45 -2.89 0.00 0.00 -0.61 0.00 0.00 39.78 36.73 1jkg n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jkg n GLY 49 N -1.96 0.89 3.40 7.41 0.00 -1.26 -5.02 105.19 108.64 1jkg n GLY 49 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1jkg n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jkg s ASN 50 N -2.83 4.86 -0.05 1.61 0.01 0.20 -5.09 114.94 113.65 1jkg s ASN 50 Ca 0.00 -0.27 -0.25 0.00 -0.71 0.00 0.00 52.86 51.64 1jkg s ASN 50 Cb 0.00 -1.86 -0.04 0.00 0.41 0.00 0.00 41.25 39.76 1jkg s ASN 50 CO 0.00 -0.03 0.76 0.00 -1.51 0.00 0.00 177.10 176.32 1jkg s ALA 51 N 1.57 3.30 -0.15 0.60 0.00 -1.26 -0.01 121.76 125.81 1jkg s ALA 51 Ca 0.06 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1jkg s ALA 51 Cb -0.15 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 19.96 1jkg s ALA 51 CO 0.01 -0.12 -0.17 0.08 0.00 0.00 0.00 175.76 175.56 1jkg s VAL 52 N 0.80 1.76 -0.09 0.00 1.01 0.11 -4.98 120.40 119.02 1jkg s VAL 52 Ca 0.40 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1jkg s VAL 52 Cb -0.18 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1jkg s VAL 52 CO 0.20 0.49 -0.18 -0.44 0.00 0.00 0.00 175.10 175.17 1jkg s SER 53 N 1.24 3.64 0.00 3.32 0.01 -1.26 -0.53 113.70 120.12 1jkg s SER 53 Ca 0.01 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1jkg s SER 53 Cb -0.14 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.91 1jkg s SER 53 CO -0.08 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1jkg n GLY 54 N 3.07 -0.31 0.38 3.44 0.00 -0.36 -4.22 105.19 107.18 1jkg n GLY 54 Ca -0.18 -1.35 0.15 0.00 0.00 0.00 0.00 46.02 44.64 1jkg n GLY 54 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jkg h GLN 55 N 0.00 0.55 -0.18 1.61 4.15 -1.60 0.11 115.11 119.74 1jkg h GLN 55 Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1jkg h GLN 55 Cb 0.00 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1jkg h GLN 55 CO 0.00 0.36 -0.00 0.93 -1.93 0.00 0.00 178.83 178.19 1jkg h GLU 56 N 0.56 0.32 -0.18 1.69 4.39 -1.86 -0.50 114.58 119.01 1jkg h GLU 56 Ca 0.45 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.95 1jkg h GLU 56 Cb 0.89 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1jkg h GLU 56 CO -0.19 0.53 -0.28 0.77 -1.16 0.00 0.00 179.01 178.68 1jkg h SER 57 N 0.08 0.34 -0.45 1.42 0.02 -1.49 -2.55 113.55 110.92 1jkg h SER 57 Ca 0.05 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1jkg h SER 57 Cb 0.39 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1jkg h SER 57 CO 0.01 0.62 0.05 -0.07 -1.14 0.00 0.00 176.83 176.30 1jkg h LEU 58 N 0.30 0.73 -0.41 5.07 3.38 -0.60 -0.74 115.31 123.04 1jkg h LEU 58 Ca 0.04 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1jkg h LEU 58 Cb 0.66 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1jkg h LEU 58 CO 0.05 0.82 0.22 -1.28 0.09 0.00 0.00 178.44 178.35 1jkg h SER 59 N 0.61 0.35 -0.51 -0.43 0.87 -0.84 -0.32 113.55 113.28 1jkg h SER 59 Ca 0.13 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 1jkg h SER 59 Cb 0.42 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1jkg h SER 59 CO 0.01 0.25 0.06 -0.33 -0.53 0.00 0.00 176.83 176.30 1jkg h GLU 60 N 0.45 0.90 -0.30 2.24 5.08 -1.30 -1.77 114.58 119.89 1jkg h GLU 60 Ca 0.17 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1jkg h GLU 60 Cb 0.05 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1jkg h GLU 60 CO -0.10 0.86 0.12 0.35 -1.00 0.00 0.00 179.01 179.24 1jkg h PHE 61 N 0.85 0.46 -0.60 4.33 3.57 -0.55 -0.91 116.94 124.08 1jkg h PHE 61 Ca 0.17 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1jkg h PHE 61 Cb 0.41 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1jkg h PHE 61 CO 0.03 0.45 0.09 0.74 -2.23 0.00 0.00 178.31 177.39 1jkg h PHE 62 N 0.33 1.04 0.00 0.41 0.05 -0.89 -1.78 116.94 116.10 1jkg h PHE 62 Ca 0.10 -0.13 -0.07 0.00 3.82 0.00 0.00 57.97 61.69 1jkg h PHE 62 Cb 0.19 -0.29 -0.01 0.00 2.00 0.00 0.00 35.95 37.84 1jkg h PHE 62 CO -0.00 0.88 -0.33 1.05 -0.18 0.00 0.00 178.31 179.72 1jkg h GLU 63 N 0.92 0.00 -0.37 1.51 4.11 -1.20 -3.08 114.58 116.47 1jkg h GLU 63 Ca 0.19 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.46 1jkg h GLU 63 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1jkg h GLU 63 CO 0.01 0.33 -0.39 1.98 0.07 0.00 0.00 179.01 181.02 1jkg h MET 64 N 0.00 0.92 -7.04 1.06 4.05 -0.59 -3.45 114.93 109.88 1jkg h MET 64 Ca -0.00 -0.49 -0.53 0.00 -0.28 0.00 0.00 59.70 58.39 1jkg h MET 64 Cb 0.95 0.02 0.11 0.00 -0.80 0.00 0.00 31.60 31.87 1jkg h MET 64 CO 0.04 1.14 0.54 -0.51 0.23 0.00 0.00 176.91 178.35 1jkg s LEU 65 N -8.88 3.87 1.02 3.39 1.43 -0.72 -5.01 118.68 113.77 1jkg s LEU 65 Ca -0.11 2.53 -0.12 0.00 -1.03 0.00 0.00 54.13 55.40 1jkg s LEU 65 Cb 0.11 -4.33 0.20 0.00 0.03 0.00 0.00 46.19 42.19 1jkg s LEU 65 CO 0.88 -1.36 1.08 -2.84 0.23 0.00 0.00 176.35 174.34 1jkg s PRO 66 N -2.93 0.26 0.68 1.29 0.02 -1.26 -4.96 135.00 128.10 1jkg s PRO 66 Ca 0.70 1.03 -0.17 0.00 0.02 0.00 0.00 61.00 62.58 1jkg s PRO 66 Cb -0.34 -1.68 0.01 0.00 0.02 0.00 0.00 34.50 32.51 1jkg s PRO 66 CO 0.40 -2.98 1.28 -1.12 -0.33 0.00 0.00 177.00 174.24 1jkg s SER 67 N -2.84 4.38 0.18 2.53 0.01 -1.26 -4.71 113.70 111.98 1jkg s SER 67 Ca 0.66 2.58 0.03 0.00 1.31 0.00 0.00 55.95 60.54 1jkg s SER 67 Cb -0.22 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.35 1jkg s SER 67 CO 0.60 -2.16 -0.05 -0.94 0.41 0.00 0.00 173.24 171.11 1jkg s SER 68 N -1.54 1.65 -0.26 2.44 1.04 -1.26 -1.17 113.70 114.59 1jkg s SER 68 Ca 0.81 -1.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 1jkg s SER 68 Cb -0.36 0.03 0.10 0.00 0.10 0.00 0.00 66.02 65.89 1jkg s SER 68 CO 0.42 -0.45 0.16 -0.70 0.98 0.00 0.00 173.24 173.65 1jkg s GLU 69 N -3.82 0.19 -0.04 4.02 2.12 -0.93 -4.60 118.70 115.63 1jkg s GLU 69 Ca 0.22 -0.33 -0.07 0.00 0.36 0.00 0.00 54.97 55.14 1jkg s GLU 69 Cb 0.04 -1.19 -0.04 0.00 0.26 0.00 0.00 34.13 33.20 1jkg s GLU 69 CO 0.04 -0.93 0.22 -0.06 -0.54 0.00 0.00 175.26 173.99 1jkg s PHE 70 N 2.17 3.60 -0.25 5.30 0.40 -1.26 -1.61 117.98 126.32 1jkg s PHE 70 Ca 0.08 0.58 0.00 0.00 -0.60 0.00 0.00 56.93 56.99 1jkg s PHE 70 Cb -0.16 -1.98 0.07 0.00 0.51 0.00 0.00 43.02 41.46 1jkg s PHE 70 CO -0.30 0.67 -0.01 -1.14 0.70 0.00 0.00 175.22 175.14 1jkg s GLN 71 N -1.43 1.39 -0.18 0.44 -0.44 -0.20 -5.01 119.66 114.22 1jkg s GLN 71 Ca 0.22 -1.03 -0.15 0.00 -2.50 0.00 0.00 55.36 51.91 1jkg s GLN 71 Cb -0.13 -2.52 -0.04 0.00 -1.64 0.00 0.00 33.01 28.68 1jkg s GLN 71 CO 0.12 -0.69 0.36 0.42 0.50 0.00 0.00 175.29 176.00 1jkg s ILE 72 N 1.43 5.24 0.00 -2.34 -1.09 -1.26 -1.26 121.20 121.91 1jkg s ILE 72 Ca -0.02 0.65 0.00 0.00 -2.23 0.00 0.00 60.65 59.05 1jkg s ILE 72 Cb -0.18 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1jkg s ILE 72 CO -0.09 0.31 0.00 -1.54 -1.23 0.00 0.00 174.94 172.39 1jkg n SER 73 N 4.09 4.91 -3.91 3.58 3.41 -0.94 -5.01 113.62 119.76 1jkg n SER 73 Ca -0.10 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.30 1jkg n SER 73 Cb 0.51 0.87 -0.16 0.00 -0.26 0.00 0.00 64.21 65.17 1jkg n SER 73 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jkg s VAL 74 N -1.97 0.64 -0.02 -3.33 1.01 -0.77 -5.01 120.40 110.94 1jkg s VAL 74 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1jkg s VAL 74 Cb 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.76 1jkg s VAL 74 CO 0.00 0.25 0.02 -0.69 0.00 0.00 0.00 175.10 174.67 1jkg s VAL 75 N 0.90 0.05 0.07 2.92 1.01 -1.26 -1.29 120.40 122.79 1jkg s VAL 75 Ca -0.11 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1jkg s VAL 75 Cb -0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1jkg s VAL 75 CO 0.01 0.11 -0.06 -0.62 0.00 0.00 0.00 175.10 174.53 1jkg s ASP 76 N 1.01 0.89 0.16 3.32 2.15 -0.51 -5.00 116.67 118.69 1jkg s ASP 76 Ca -0.09 -0.83 -0.19 0.00 0.43 0.00 0.00 52.55 51.87 1jkg s ASP 76 Cb -0.13 0.09 0.05 0.00 -0.30 0.00 0.00 42.92 42.63 1jkg s ASP 76 CO -0.02 -0.39 0.51 0.00 -0.17 0.00 0.00 175.17 175.09 1jkg s GLN 78 N -3.80 0.57 0.17 0.00 -0.21 -0.36 -4.93 119.66 111.10 1jkg s GLN 78 Ca 0.04 0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.29 1jkg s GLN 78 Cb -0.00 0.26 -0.08 0.00 1.00 0.00 0.00 33.01 34.20 1jkg s GLN 78 CO -0.10 -0.12 1.13 -1.25 -2.12 0.00 0.00 175.29 172.83 1jkg s PRO 79 N -0.57 4.55 0.06 2.91 0.04 -1.26 -0.86 135.00 139.87 1jkg s PRO 79 Ca -0.07 1.77 -0.28 0.00 0.04 0.00 0.00 61.00 62.46 1jkg s PRO 79 Cb -0.04 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 1jkg s PRO 79 CO 0.03 0.00 0.88 0.08 0.04 0.00 0.00 177.00 178.03 1jkg s VAL 80 N -0.10 4.67 0.34 -0.36 1.01 -0.36 -4.87 120.40 120.73 1jkg s VAL 80 Ca 0.51 1.88 -0.28 0.00 0.00 0.00 0.00 61.98 64.08 1jkg s VAL 80 Cb -0.30 -4.23 -0.12 0.00 0.00 0.00 0.00 36.38 31.72 1jkg s VAL 80 CO 0.35 0.31 1.36 1.57 0.00 0.00 0.00 175.10 178.69 1jkg n HIS 81 N 3.02 2.49 -0.18 5.22 -0.00 -1.26 -4.68 115.22 119.82 1jkg n HIS 81 Ca 0.01 0.50 0.21 0.00 0.46 0.00 0.00 57.72 58.90 1jkg n HIS 81 Cb 0.50 -2.46 0.59 0.00 -0.12 0.00 0.00 29.99 28.50 1jkg n HIS 81 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1jkg h ASP 82 N 2.88 0.24 0.29 0.26 3.32 -1.93 -1.47 116.42 120.01 1jkg h ASP 82 Ca -0.47 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 1jkg h ASP 82 Cb 1.27 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1jkg h ASP 82 CO 0.65 0.11 -0.24 -0.08 -1.72 0.00 0.00 179.24 177.95 1jkg h GLU 83 N 0.25 0.00 0.14 3.56 4.81 -1.99 -1.47 114.58 119.88 1jkg h GLU 83 Ca 0.41 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.35 1jkg h GLU 83 Cb 1.22 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.60 1jkg h GLU 83 CO -0.10 0.24 -1.30 0.00 -0.73 0.00 0.00 179.01 177.12 1jkg h ALA 84 N 1.76 0.08 -2.28 2.92 0.00 -1.63 -3.39 119.26 116.71 1jkg h ALA 84 Ca -0.00 -0.90 -0.59 0.00 0.00 0.00 0.00 54.91 53.42 1jkg h ALA 84 Cb 0.45 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.90 1jkg h ALA 84 CO 0.03 0.95 -0.87 0.25 0.00 0.00 0.00 179.25 179.61 1jkg n THR 85 N -3.55 0.30 -1.65 0.00 -2.24 -1.07 -5.10 114.28 100.97 1jkg n THR 85 Ca -0.10 -4.31 -0.45 0.00 -2.27 0.00 0.00 64.05 56.91 1jkg n THR 85 Cb 1.04 -1.96 -0.02 0.00 -2.10 0.00 0.00 70.33 67.28 1jkg n THR 85 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1jkg n PRO 86 N 1.66 1.85 -2.03 -0.78 -0.02 -0.58 -1.89 135.00 133.21 1jkg n PRO 86 Ca 0.25 0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 62.23 1jkg n PRO 86 Cb 0.46 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1jkg n PRO 86 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jkg n SER 87 N 1.80 -4.53 -3.65 2.55 7.64 -1.26 -4.94 113.62 111.23 1jkg n SER 87 Ca 0.11 0.22 -0.16 0.00 1.01 0.00 0.00 58.87 60.05 1jkg n SER 87 Cb 0.31 -3.93 -0.15 0.00 -1.01 0.00 0.00 64.21 59.44 1jkg n SER 87 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1jkg s GLN 88 N -4.35 0.08 -0.33 1.43 0.74 -0.79 -5.12 119.66 111.32 1jkg s GLN 88 Ca 0.00 0.59 -0.28 0.00 0.05 0.00 0.00 55.36 55.72 1jkg s GLN 88 Cb 0.00 -0.28 0.02 0.00 1.10 0.00 0.00 33.01 33.85 1jkg s GLN 88 CO 0.00 -0.33 1.02 0.99 -0.55 0.00 0.00 175.29 176.42 1jkg s THR 89 N 2.33 4.54 0.14 -0.34 2.01 -1.26 -4.75 115.64 118.31 1jkg s THR 89 Ca 0.03 1.55 0.06 0.00 0.31 0.00 0.00 61.69 63.63 1jkg s THR 89 Cb -0.12 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 1jkg s THR 89 CO -0.07 -0.49 -0.13 0.42 -0.69 0.00 0.00 174.62 173.66 1jkg s THR 90 N 3.58 1.35 -0.03 -0.82 -4.23 -1.26 -0.90 115.64 113.33 1jkg s THR 90 Ca 0.43 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1jkg s THR 90 Cb -0.12 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 72.04 1jkg s THR 90 CO 0.16 -0.54 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.00 1jkg s VAL 91 N -2.60 0.28 -0.06 2.29 1.01 -0.09 -1.23 120.40 120.01 1jkg s VAL 91 Ca 0.13 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 1jkg s VAL 91 Cb -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1jkg s VAL 91 CO 0.03 0.16 0.63 -0.22 0.00 0.00 0.00 175.10 175.70 1jkg s LEU 92 N 0.91 4.33 -0.06 3.92 2.96 -0.04 -0.59 118.68 130.11 1jkg s LEU 92 Ca -0.10 1.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.95 1jkg s LEU 92 Cb -0.13 -2.96 0.00 0.00 0.50 0.00 0.00 46.19 43.60 1jkg s LEU 92 CO -0.01 -0.04 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.11 1jkg s VAL 93 N 0.54 1.53 -0.07 1.68 1.01 -0.13 -1.23 120.40 123.73 1jkg s VAL 93 Ca 0.33 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.61 1jkg s VAL 93 Cb -0.17 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1jkg s VAL 93 CO 0.16 0.44 -0.19 0.68 0.00 0.00 0.00 175.10 176.20 1jkg s VAL 94 N 0.26 1.62 0.05 2.92 -7.23 -0.09 -1.37 120.40 116.55 1jkg s VAL 94 Ca -0.10 -0.78 0.06 0.00 -1.81 0.00 0.00 61.98 59.35 1jkg s VAL 94 Cb -0.14 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 1jkg s VAL 94 CO 0.04 0.46 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.49 1jkg s ILE 95 N 0.31 1.37 -0.00 -0.62 1.09 0.15 -1.43 121.20 122.06 1jkg s ILE 95 Ca -0.12 -1.18 0.01 0.00 -1.10 0.00 0.00 60.65 58.26 1jkg s ILE 95 Cb -0.15 -1.23 -0.00 0.00 -1.06 0.00 0.00 42.46 40.02 1jkg s ILE 95 CO 0.05 0.03 -0.03 0.00 -0.10 0.00 0.00 174.94 174.89 1jkg n GLY 97 N 2.96 0.83 3.32 0.00 0.00 -1.09 -1.84 105.19 109.37 1jkg n GLY 97 Ca -0.13 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 1jkg n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jkg s SER 98 N 2.00 2.43 -0.10 1.61 1.04 -0.39 -1.13 113.70 119.16 1jkg s SER 98 Ca 0.00 -1.00 -0.13 0.00 0.48 0.00 0.00 55.95 55.30 1jkg s SER 98 Cb 0.00 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.04 1jkg s SER 98 CO 0.00 -0.18 0.34 0.54 0.98 0.00 0.00 173.24 174.92 1jkg s VAL 99 N -2.91 0.01 -0.24 5.02 0.11 0.27 -1.03 120.40 121.64 1jkg s VAL 99 Ca 0.20 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1jkg s VAL 99 Cb -0.01 -0.53 0.05 0.00 -1.53 0.00 0.00 36.38 34.37 1jkg s VAL 99 CO 0.06 -0.06 -0.10 -0.75 -3.33 0.00 0.00 175.10 170.91 1jkg s LYS 100 N -0.18 2.12 -0.02 1.54 2.20 -0.63 -1.58 119.74 123.19 1jkg s LYS 100 Ca -0.03 -1.13 -0.17 0.00 -0.36 0.00 0.00 55.97 54.28 1jkg s LYS 100 Cb -0.03 -2.70 -0.05 0.00 -1.51 0.00 0.00 37.83 33.53 1jkg s LYS 100 CO 0.01 -0.52 0.46 -0.06 -0.36 0.00 0.00 175.35 174.89 1jkg s PHE 101 N 1.24 3.69 0.04 4.03 0.40 -1.26 -2.20 117.98 123.92 1jkg s PHE 101 Ca -0.06 1.03 -0.35 0.00 -0.60 0.00 0.00 56.93 56.95 1jkg s PHE 101 Cb -0.18 -2.41 -0.14 0.00 0.51 0.00 0.00 43.02 40.80 1jkg s PHE 101 CO -0.07 0.50 1.60 -1.91 0.70 0.00 0.00 175.22 176.04 1jkg n GLU 102 N 2.31 1.79 0.00 0.44 4.07 -0.32 -1.68 120.64 127.26 1jkg n GLU 102 Ca -0.11 0.65 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 1jkg n GLU 102 Cb 0.52 -2.39 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 1jkg n GLU 102 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jkg n GLY 103 N 3.48 0.63 3.37 8.31 0.00 -1.26 -4.78 105.19 114.93 1jkg n GLY 103 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1jkg n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jkg s ASN 104 N -2.64 -0.16 0.76 1.61 2.20 -0.67 -5.17 114.94 110.88 1jkg s ASN 104 Ca 0.00 -0.50 -0.11 0.00 -0.94 0.00 0.00 52.86 51.31 1jkg s ASN 104 Cb 0.00 0.48 0.05 0.00 -2.00 0.00 0.00 41.25 39.78 1jkg s ASN 104 CO 0.00 -0.91 1.08 -1.59 -2.94 0.00 0.00 177.10 172.75 1jkg s LYS 105 N -3.86 2.40 0.30 3.55 -2.85 -1.26 -4.37 119.74 113.65 1jkg s LYS 105 Ca 0.07 0.84 -0.29 0.00 -1.00 0.00 0.00 55.97 55.59 1jkg s LYS 105 Cb 0.02 -1.94 -0.10 0.00 -2.06 0.00 0.00 37.83 33.75 1jkg s LYS 105 CO -0.07 -1.45 1.34 -1.14 0.10 0.00 0.00 175.35 174.13 1jkg s GLN 106 N -5.07 4.33 0.04 1.78 0.74 -1.26 -4.61 119.66 115.61 1jkg s GLN 106 Ca 0.60 2.23 -0.05 0.00 0.05 0.00 0.00 55.36 58.18 1jkg s GLN 106 Cb -0.15 -3.09 -0.01 0.00 1.10 0.00 0.00 33.01 30.86 1jkg s GLN 106 CO 0.55 -0.26 0.08 -0.98 -0.55 0.00 0.00 175.29 174.13 1jkg s ARG 107 N -1.26 0.58 0.47 1.67 1.70 -0.61 -4.96 118.95 116.55 1jkg s ARG 107 Ca 0.52 -0.78 -0.10 0.00 -0.47 0.00 0.00 55.73 54.91 1jkg s ARG 107 Cb -0.40 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.15 1jkg s ARG 107 CO 0.49 -0.14 0.84 -0.51 -1.08 0.00 0.00 175.30 174.90 1jkg s ASP 108 N -2.17 6.41 0.22 -2.89 1.01 -1.26 -0.56 116.67 117.43 1jkg s ASP 108 Ca -0.04 1.16 -0.12 0.00 0.71 0.00 0.00 52.55 54.26 1jkg s ASP 108 Cb -0.01 -2.34 -0.00 0.00 1.01 0.00 0.00 42.92 41.58 1jkg s ASP 108 CO -0.05 -0.55 0.42 0.72 0.21 0.00 0.00 175.17 175.92 1jkg s PHE 109 N -2.64 0.37 -0.01 4.23 -0.12 -0.28 -1.48 117.98 118.05 1jkg s PHE 109 Ca 0.51 -0.72 0.02 0.00 -0.05 0.00 0.00 56.93 56.69 1jkg s PHE 109 Cb -0.10 0.11 -0.00 0.00 -0.63 0.00 0.00 43.02 42.39 1jkg s PHE 109 CO 0.39 -0.90 -0.05 -0.80 -0.05 0.00 0.00 175.22 173.81 1jkg s ASN 110 N -3.00 0.64 0.00 1.98 -0.87 -0.72 -2.66 114.94 110.31 1jkg s ASN 110 Ca 0.21 -0.10 -0.02 0.00 -1.57 0.00 0.00 52.86 51.39 1jkg s ASN 110 Cb 0.01 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.25 41.14 1jkg s ASN 110 CO 0.06 0.06 0.02 -1.58 -2.57 0.00 0.00 177.10 173.09 1jkg s GLN 111 N -0.05 0.21 -0.07 -0.60 0.74 -0.18 -1.84 119.66 117.87 1jkg s GLN 111 Ca 0.01 -0.28 -0.06 0.00 0.05 0.00 0.00 55.36 55.09 1jkg s GLN 111 Cb -0.03 0.08 0.02 0.00 1.10 0.00 0.00 33.01 34.18 1jkg s GLN 111 CO -0.00 -0.04 0.18 0.54 -0.55 0.00 0.00 175.29 175.42 1jkg s ASN 112 N -0.77 -0.19 0.10 6.67 2.20 -0.01 0.31 114.94 123.25 1jkg s ASN 112 Ca -0.08 0.37 -0.09 0.00 -0.94 0.00 0.00 52.86 52.12 1jkg s ASN 112 Cb -0.05 0.36 -0.00 0.00 -2.00 0.00 0.00 41.25 39.56 1jkg s ASN 112 CO -0.00 -0.08 0.21 0.72 -2.94 0.00 0.00 177.10 175.01 1jkg s PHE 113 N 0.24 0.18 -0.22 1.54 -0.12 -0.47 -0.75 117.98 118.37 1jkg s PHE 113 Ca -0.01 -0.59 -0.05 0.00 -0.05 0.00 0.00 56.93 56.22 1jkg s PHE 113 Cb -0.03 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 1jkg s PHE 113 CO -0.01 -0.58 -0.00 0.42 -0.05 0.00 0.00 175.22 175.01 1jkg s ILE 114 N -3.88 3.77 0.08 -4.49 1.01 -0.21 -0.96 121.20 116.53 1jkg s ILE 114 Ca 0.07 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1jkg s ILE 114 Cb 0.05 -2.73 -0.06 0.00 0.01 0.00 0.00 42.46 39.73 1jkg s ILE 114 CO -0.09 0.40 0.38 -0.76 0.00 0.00 0.00 174.94 174.86 1jkg s LEU 115 N 1.39 4.34 -0.04 2.97 1.43 0.24 -0.50 118.68 128.51 1jkg s LEU 115 Ca 0.05 0.73 0.05 0.00 -1.03 0.00 0.00 54.13 53.92 1jkg s LEU 115 Cb -0.15 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 1jkg s LEU 115 CO 0.00 0.17 -0.18 0.28 0.23 0.00 0.00 176.35 176.85 1jkg s THR 116 N -1.41 1.50 -0.08 5.49 -1.32 0.50 -0.91 115.64 119.40 1jkg s THR 116 Ca 0.33 -0.77 -0.28 0.00 -1.21 0.00 0.00 61.69 59.76 1jkg s THR 116 Cb -0.14 -1.27 -0.02 0.00 -1.51 0.00 0.00 72.50 69.56 1jkg s THR 116 CO 0.19 0.43 0.91 0.00 -2.21 0.00 0.00 174.62 173.93 1jkg s ALA 117 N -0.13 3.34 -0.32 11.08 0.00 -0.08 -1.85 121.76 133.80 1jkg s ALA 117 Ca -0.00 0.31 -0.00 0.00 0.00 0.00 0.00 51.96 52.27 1jkg s ALA 117 Cb -0.10 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.81 1jkg s ALA 117 CO 0.01 -0.40 0.03 -1.14 0.00 0.00 0.00 175.76 174.26 1jkg s GLN 118 N 1.50 2.16 0.69 0.00 -0.44 0.56 -4.71 119.66 119.43 1jkg s GLN 118 Ca 0.45 -1.49 -0.14 0.00 -2.50 0.00 0.00 55.36 51.69 1jkg s GLN 118 Cb -0.19 -3.21 0.02 0.00 -1.64 0.00 0.00 33.01 27.99 1jkg s GLN 118 CO 0.20 -0.75 1.12 0.00 0.50 0.00 0.00 175.29 176.36 1jkg s ALA 119 N 1.15 2.35 0.14 1.58 0.00 -1.26 -1.20 121.76 124.50 1jkg s ALA 119 Ca -0.01 0.56 -0.24 0.00 0.00 0.00 0.00 51.96 52.27 1jkg s ALA 119 Cb -0.20 -3.34 0.08 0.00 0.00 0.00 0.00 23.12 19.66 1jkg s ALA 119 CO -0.04 -1.49 1.08 -1.54 0.00 0.00 0.00 175.76 173.77 1jkg s SER 120 N -2.61 -0.04 0.13 0.00 1.04 -1.26 -4.89 113.70 106.07 1jkg s SER 120 Ca 0.67 -0.51 -0.28 0.00 0.48 0.00 0.00 55.95 56.31 1jkg s SER 120 Cb -0.21 0.42 -0.08 0.00 0.10 0.00 0.00 66.02 66.25 1jkg s SER 120 CO 0.45 -0.83 1.47 -0.65 0.98 0.00 0.00 173.24 174.66 1jkg h PRO 121 N 2.00 -0.14 0.00 4.02 0.11 -2.04 -3.41 132.00 132.54 1jkg h PRO 121 Ca -0.27 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1jkg h PRO 121 Cb 1.21 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1jkg h PRO 121 CO 0.33 -0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 176.89 1jkg n SER 122 N -4.97 0.00 -4.84 -2.05 3.41 -1.26 -5.04 113.62 98.87 1jkg n SER 122 Ca -0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1jkg n SER 122 Cb 0.25 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.29 1jkg n SER 122 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1jkg s ASN 123 N -1.00 4.56 0.29 4.04 0.02 -1.26 -5.01 114.94 116.58 1jkg s ASN 123 Ca 0.00 1.12 -0.29 0.00 -1.02 0.00 0.00 52.86 52.67 1jkg s ASN 123 Cb 0.00 -1.81 -0.10 0.00 0.02 0.00 0.00 41.25 39.36 1jkg s ASN 123 CO 0.00 -1.90 1.26 -0.89 0.02 0.00 0.00 177.10 175.59 1jkg s THR 124 N -3.29 3.01 -0.18 1.60 2.01 -1.26 -4.37 115.64 113.16 1jkg s THR 124 Ca 0.61 0.97 -0.03 0.00 0.31 0.00 0.00 61.69 63.54 1jkg s THR 124 Cb -0.13 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1jkg s THR 124 CO 0.53 0.21 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.93 1jkg s VAL 125 N -0.83 3.58 -0.19 3.82 1.01 -0.34 -4.92 120.40 122.52 1jkg s VAL 125 Ca 0.50 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 1jkg s VAL 125 Cb -0.37 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1jkg s VAL 125 CO 0.46 0.46 0.16 0.26 0.00 0.00 0.00 175.10 176.45 1jkg s TRP 126 N 0.85 3.42 0.11 5.22 0.52 -1.26 -0.32 118.94 127.47 1jkg s TRP 126 Ca -0.01 0.38 0.05 0.00 0.02 0.00 0.00 56.10 56.54 1jkg s TRP 126 Cb -0.15 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.95 1jkg s TRP 126 CO 0.01 0.28 -0.13 0.15 0.02 0.00 0.00 176.95 177.28 1jkg s LYS 127 N 0.37 0.95 -0.06 4.98 1.02 -0.77 -4.91 119.74 121.32 1jkg s LYS 127 Ca 0.10 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 1jkg s LYS 127 Cb -0.11 -0.83 -0.03 0.00 -0.52 0.00 0.00 37.83 36.34 1jkg s LYS 127 CO -0.01 0.16 1.16 0.42 -0.92 0.00 0.00 175.35 176.16 1jkg s ILE 128 N -2.00 4.36 -0.18 2.17 1.01 -0.32 -0.37 121.20 125.87 1jkg s ILE 128 Ca 0.06 1.68 0.18 0.00 0.00 0.00 0.00 60.65 62.56 1jkg s ILE 128 Cb -0.06 -4.08 -0.25 0.00 0.01 0.00 0.00 42.46 38.09 1jkg s ILE 128 CO 0.02 0.01 0.13 0.00 0.00 0.00 0.00 174.94 175.10 1jkg n ALA 129 N 5.09 1.53 -3.24 9.38 0.00 0.35 -0.93 120.51 132.69 1jkg n ALA 129 Ca 0.10 -1.27 -0.13 0.00 0.00 0.00 0.00 53.44 52.14 1jkg n ALA 129 Cb 0.47 -0.25 -0.11 0.00 0.00 0.00 0.00 19.45 19.56 1jkg n ALA 129 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jkg s SER 130 N -5.52 -0.36 0.03 0.00 0.15 -1.21 -3.62 113.70 103.17 1jkg s SER 130 Ca -0.09 0.68 0.01 0.00 0.70 0.00 0.00 55.95 57.24 1jkg s SER 130 Cb 0.06 0.70 -0.02 0.00 -1.71 0.00 0.00 66.02 65.05 1jkg s SER 130 CO 0.83 -0.13 -0.05 -0.62 1.20 0.00 0.00 173.24 174.46 1jkg s ASP 131 N 0.13 0.55 -0.12 5.45 2.15 -0.43 -1.04 116.67 123.35 1jkg s ASP 131 Ca -0.01 -0.51 -0.05 0.00 0.43 0.00 0.00 52.55 52.41 1jkg s ASP 131 Cb -0.03 0.07 0.06 0.00 -0.30 0.00 0.00 42.92 42.72 1jkg s ASP 131 CO 0.01 -0.24 0.27 0.00 -0.17 0.00 0.00 175.17 175.03 1jkg s PHE 133 N 1.75 0.78 -0.21 0.00 5.36 -0.17 -0.83 117.98 124.66 1jkg s PHE 133 Ca -0.05 -0.17 -0.13 0.00 -0.96 0.00 0.00 56.93 55.61 1jkg s PHE 133 Cb -0.11 -0.54 0.06 0.00 -0.34 0.00 0.00 43.02 42.09 1jkg s PHE 133 CO -0.09 -0.06 0.52 0.50 -1.46 0.00 0.00 175.22 174.63 1jkg s ARG 134 N 0.05 0.54 0.33 10.12 3.52 -0.77 0.21 118.95 132.95 1jkg s ARG 134 Ca -0.00 0.91 -0.28 0.00 -0.13 0.00 0.00 55.73 56.23 1jkg s ARG 134 Cb -0.06 0.10 -0.09 0.00 -1.56 0.00 0.00 34.95 33.34 1jkg s ARG 134 CO -0.00 -0.14 1.15 -0.06 -0.81 0.00 0.00 175.30 175.44 1jkg s PHE 135 N 1.20 3.32 0.42 5.12 2.99 -1.26 -1.76 117.98 128.00 1jkg s PHE 135 Ca -0.07 1.61 0.26 0.00 0.00 0.00 0.00 56.93 58.72 1jkg s PHE 135 Cb -0.06 -3.37 1.41 0.00 0.00 0.00 0.00 43.02 41.00 1jkg s PHE 135 CO -0.12 -0.99 2.06 1.96 -0.00 0.00 0.00 175.22 178.13 1jkg h GLN 136 N 3.29 0.00 -0.78 0.44 4.20 -1.59 -2.54 115.11 118.13 1jkg h GLN 136 Ca -0.48 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.67 1jkg h GLN 136 Cb 1.22 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.61 1jkg h GLN 136 CO 0.65 0.13 -0.50 -0.40 -0.67 0.00 0.00 178.83 178.03 1jkg n ASP 137 N -3.70 5.34 0.04 1.46 5.75 -1.26 -4.82 116.55 119.36 1jkg n ASP 137 Ca -0.02 -3.76 0.13 0.00 -0.01 0.00 0.00 54.79 51.13 1jkg n ASP 137 Cb 0.24 -0.46 0.59 0.00 -1.03 0.00 0.00 41.12 40.46 1jkg n ASP 137 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 1jkg h TRP 138 N 2.11 0.20 0.00 2.11 5.08 -1.83 -1.97 115.95 121.66 1jkg h TRP 138 Ca 0.40 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.38 1jkg h TRP 138 Cb 1.41 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 27.50 1jkg h TRP 138 CO 0.96 0.10 0.00 0.00 -1.28 0.00 0.00 178.44 178.22 1jkg h ALA 139 N 1.79 1.00 -0.00 0.11 0.00 -1.87 -3.50 119.26 116.79 1jkg h ALA 139 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jkg h ALA 139 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jkg h ALA 139 CO -0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.09