#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwp s ASN 2 N 0.00 5.84 0.47 7.83 0.01 0.14 -4.91 114.94 124.32 2kwp s ASN 2 Ca 0.00 -1.72 0.24 0.00 -0.71 0.00 0.00 52.86 50.67 2kwp s ASN 2 Cb 0.00 -2.07 1.15 0.00 0.41 0.00 0.00 41.25 40.74 2kwp s ASN 2 CO 0.00 -0.69 1.94 0.11 -1.51 0.00 0.00 177.10 176.95 2kwp h LYS 3 N 8.57 0.00 -0.66 -0.60 1.57 -1.86 -2.67 116.57 120.92 2kwp h LYS 3 Ca -0.24 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 2kwp h LYS 3 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2kwp h LYS 3 CO 0.88 0.20 0.24 0.93 -0.57 0.00 0.00 179.45 181.13 2kwp h GLU 4 N 0.00 0.98 -0.40 3.15 5.08 -1.92 -1.69 114.58 119.78 2kwp h GLU 4 Ca -0.00 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2kwp h GLU 4 Cb 0.54 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2kwp h GLU 4 CO 0.03 0.82 0.15 0.82 -1.00 0.00 0.00 179.01 179.82 2kwp h ILE 5 N 0.96 1.20 -0.55 3.13 2.04 -1.80 0.45 117.51 122.94 2kwp h ILE 5 Ca 0.22 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2kwp h ILE 5 Cb 0.22 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2kwp h ILE 5 CO -0.02 0.23 0.19 -0.07 0.00 0.00 0.00 178.15 178.48 2kwp h LEU 6 N 0.50 0.74 -0.42 1.44 3.38 -1.51 -2.00 115.31 117.44 2kwp h LEU 6 Ca 0.13 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 2kwp h LEU 6 Cb 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kwp h LEU 6 CO -0.01 0.69 -0.60 0.00 0.09 0.00 0.00 178.44 178.61 2kwp h ALA 7 N 1.42 0.60 -0.60 1.53 0.00 -0.89 -2.62 119.26 118.70 2kwp h ALA 7 Ca 0.18 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2kwp h ALA 7 Cb 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2kwp h ALA 7 CO -0.01 0.70 0.14 0.28 0.00 0.00 0.00 179.25 180.35 2kwp h VAL 8 N 0.46 1.24 -0.17 0.00 2.07 -0.44 -2.10 116.25 117.31 2kwp h VAL 8 Ca -0.00 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.50 2kwp h VAL 8 Cb 1.17 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2kwp h VAL 8 CO 0.12 0.33 -0.43 0.58 0.02 0.00 0.00 177.57 178.19 2kwp h VAL 9 N 0.90 1.31 -0.09 2.57 2.07 -1.30 -2.78 116.25 118.93 2kwp h VAL 9 Ca 0.19 -1.60 -0.10 0.00 0.82 0.00 0.00 66.70 66.01 2kwp h VAL 9 Cb 0.33 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2kwp h VAL 9 CO 0.00 0.49 -0.37 -0.33 0.02 0.00 0.00 177.57 177.38 2kwp h GLU 10 N 0.34 0.19 -0.02 1.57 5.08 -1.06 -1.97 114.58 118.71 2kwp h GLU 10 Ca 0.03 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 2kwp h GLU 10 Cb 0.90 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2kwp h GLU 10 CO 0.08 0.54 -0.57 0.00 -1.00 0.00 0.00 179.01 178.06 2kwp h ALA 11 N 1.45 1.02 0.00 3.43 0.00 -1.13 -2.38 119.26 121.66 2kwp h ALA 11 Ca 0.02 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 2kwp h ALA 11 Cb 0.74 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2kwp h ALA 11 CO 0.06 0.71 -0.77 0.28 0.00 0.00 0.00 179.25 179.52 2kwp h VAL 12 N 0.05 1.34 0.00 0.00 2.07 -1.24 -3.16 116.25 115.30 2kwp h VAL 12 Ca -0.00 -2.87 -0.17 0.00 0.82 0.00 0.00 66.70 64.48 2kwp h VAL 12 Cb 1.02 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 2kwp h VAL 12 CO 0.08 0.76 -0.79 0.77 0.02 0.00 0.00 177.57 178.40 2kwp h SER 13 N 0.00 0.00 -0.01 0.57 4.64 -1.20 -2.90 113.55 114.65 2kwp h SER 13 Ca -0.01 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2kwp h SER 13 Cb 1.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2kwp h SER 13 CO 0.10 0.79 -0.56 -1.13 -0.87 0.00 0.00 176.83 175.16 2kwp h ASN 14 N 0.00 0.67 -0.03 4.97 -1.24 -1.45 1.71 115.58 120.21 2kwp h ASN 14 Ca -0.01 -0.36 -0.01 0.00 0.71 0.00 0.00 56.30 56.63 2kwp h ASN 14 Cb 1.45 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 40.31 2kwp h ASN 14 CO 0.10 1.09 -0.03 -0.08 -1.29 0.00 0.00 177.43 177.22 2kwp h GLU 15 N 0.46 0.07 -0.74 6.67 4.81 -1.55 -3.22 114.58 121.08 2kwp h GLU 15 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2kwp h GLU 15 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2kwp h GLU 15 CO 0.11 0.56 0.00 1.63 -0.73 0.00 0.00 179.01 180.57 2kwp n LYS 16 N -4.79 2.81 -2.03 1.92 4.76 -1.10 -4.91 118.16 114.82 2kwp n LYS 16 Ca -0.08 -2.69 -0.04 0.00 -2.87 0.00 0.00 58.31 52.62 2kwp n LYS 16 Cb 0.28 -1.60 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 2kwp n LYS 16 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kwp n ALA 17 N 1.63 -0.64 -2.11 7.82 0.00 0.58 -4.88 120.51 122.91 2kwp n ALA 17 Ca 0.25 0.04 -0.28 0.00 0.00 0.00 0.00 53.44 53.46 2kwp n ALA 17 Cb 0.65 -0.76 0.02 0.00 0.00 0.00 0.00 19.45 19.35 2kwp n ALA 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kwp s LEU 18 N -4.33 3.35 0.24 0.00 1.43 -0.96 -4.97 118.68 113.44 2kwp s LEU 18 Ca 0.00 0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 53.71 2kwp s LEU 18 Cb 0.00 -3.81 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 2kwp s LEU 18 CO 0.00 -0.88 1.28 -2.16 0.23 0.00 0.00 176.35 174.81 2kwp s PRO 19 N -4.95 4.42 0.37 1.29 0.04 -1.26 -4.59 135.00 130.31 2kwp s PRO 19 Ca 0.52 2.06 0.10 0.00 0.04 0.00 0.00 61.00 63.72 2kwp s PRO 19 Cb -0.11 -3.16 0.87 0.00 0.04 0.00 0.00 34.50 32.14 2kwp s PRO 19 CO 0.47 -0.17 1.86 0.00 0.04 0.00 0.00 177.00 179.20 2kwp h ARG 20 N 4.66 0.62 -0.07 4.56 3.08 -1.96 -1.20 114.38 124.07 2kwp h ARG 20 Ca -0.46 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 59.58 2kwp h ARG 20 Cb 1.22 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.09 2kwp h ARG 20 CO 0.73 0.41 -0.13 0.93 -1.07 0.00 0.00 179.97 180.84 2kwp h GLU 21 N 0.63 -0.17 -0.41 0.04 4.39 -1.99 -0.38 114.58 116.69 2kwp h GLU 21 Ca 0.46 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.22 2kwp h GLU 21 Cb 0.81 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.45 2kwp h GLU 21 CO -0.21 -0.12 0.13 -0.22 -1.16 0.00 0.00 179.01 177.44 2kwp h LYS 22 N -0.18 0.27 -0.10 2.33 3.64 -1.61 -2.00 116.57 118.92 2kwp h LYS 22 Ca 0.07 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2kwp h LYS 22 Cb 0.27 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 2kwp h LYS 22 CO -0.18 0.18 -0.11 0.82 -2.27 0.00 0.00 179.45 177.90 2kwp h ILE 23 N 0.28 0.69 -0.81 2.00 2.04 -1.01 -0.16 117.51 120.55 2kwp h ILE 23 Ca 0.20 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.25 2kwp h ILE 23 Cb 0.20 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2kwp h ILE 23 CO -0.22 0.00 0.56 -0.26 0.00 0.00 0.00 178.15 178.23 2kwp h PHE 24 N -0.14 0.31 -0.37 1.37 0.04 -0.50 0.97 116.94 118.62 2kwp h PHE 24 Ca 0.08 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2kwp h PHE 24 Cb 0.25 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 2kwp h PHE 24 CO -0.22 0.09 0.20 1.49 -0.60 0.00 0.00 178.31 179.27 2kwp h GLU 25 N 0.24 0.52 -0.29 1.51 4.57 -0.32 -0.14 114.58 120.67 2kwp h GLU 25 Ca 0.41 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.45 2kwp h GLU 25 Cb 1.21 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2kwp h GLU 25 CO -0.10 0.43 -0.09 0.00 -1.18 0.00 0.00 179.01 178.07 2kwp h ALA 26 N 1.06 0.40 -0.50 2.92 0.00 -0.61 -2.15 119.26 120.37 2kwp h ALA 26 Ca 0.13 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2kwp h ALA 26 Cb 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2kwp h ALA 26 CO -0.02 0.24 0.21 -0.07 0.00 0.00 0.00 179.25 179.61 2kwp h LEU 27 N 0.32 0.26 -0.61 0.00 3.38 -0.94 -0.67 115.31 117.05 2kwp h LEU 27 Ca 0.07 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kwp h LEU 27 Cb 0.59 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2kwp h LEU 27 CO 0.03 0.18 0.37 -0.33 0.09 0.00 0.00 178.44 178.79 2kwp h GLU 28 N 0.42 0.82 -0.60 1.13 5.08 -0.91 -1.11 114.58 119.41 2kwp h GLU 28 Ca 0.23 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2kwp h GLU 28 Cb 0.21 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2kwp h GLU 28 CO -0.21 0.58 0.37 1.03 -1.00 0.00 0.00 179.01 179.79 2kwp h SER 29 N 0.82 0.70 -0.21 1.42 0.87 -0.64 0.12 113.55 116.64 2kwp h SER 29 Ca 0.22 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.67 2kwp h SER 29 Cb -0.03 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.75 2kwp h SER 29 CO -0.04 0.53 -0.17 0.00 -0.53 0.00 0.00 176.83 176.62 2kwp h ALA 30 N 1.59 0.30 -0.10 6.23 0.00 -0.34 0.03 119.26 126.97 2kwp h ALA 30 Ca 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kwp h ALA 30 Cb -0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2kwp h ALA 30 CO -0.04 0.21 0.01 -0.07 0.00 0.00 0.00 179.25 179.35 2kwp h LEU 31 N 0.16 0.16 -0.17 0.00 3.38 -0.75 -1.32 115.31 116.77 2kwp h LEU 31 Ca 0.04 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2kwp h LEU 31 Cb 0.70 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2kwp h LEU 31 CO 0.04 0.40 0.11 0.00 0.09 0.00 0.00 178.44 179.08 2kwp h ALA 32 N 0.77 0.21 -0.38 1.53 0.00 -0.79 1.52 119.26 122.12 2kwp h ALA 32 Ca 0.03 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2kwp h ALA 32 Cb 0.31 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2kwp h ALA 32 CO 0.00 -0.31 0.01 1.15 0.00 0.00 0.00 179.25 180.10 2kwp h THR 33 N 0.22 0.73 -0.00 0.00 2.02 -0.90 -0.03 112.91 114.95 2kwp h THR 33 Ca 0.06 -0.04 -0.14 0.00 0.77 0.00 0.00 66.41 67.06 2kwp h THR 33 Cb -0.02 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2kwp h THR 33 CO -0.02 0.02 -0.69 0.00 0.37 0.00 0.00 175.52 175.21 2kwp h ALA 34 N 1.33 0.87 -0.05 6.16 0.00 -0.81 -3.14 119.26 123.61 2kwp h ALA 34 Ca 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kwp h ALA 34 Cb 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kwp h ALA 34 CO -0.30 0.86 0.02 1.15 0.00 0.00 0.00 179.25 180.98 2kwp h THR 35 N 0.00 1.00 -0.05 0.00 2.02 0.37 -1.25 112.91 114.99 2kwp h THR 35 Ca -0.01 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.17 2kwp h THR 35 Cb 1.21 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2kwp h THR 35 CO 0.09 0.01 0.04 0.11 0.37 0.00 0.00 175.52 176.14 2kwp h LYS 36 N 0.05 0.00 -0.31 6.66 1.57 -1.06 -0.45 116.57 123.03 2kwp h LYS 36 Ca 0.02 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2kwp h LYS 36 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2kwp h LYS 36 CO -0.02 0.00 0.21 0.87 -0.57 0.00 0.00 179.45 179.95 2kwp h LYS 37 N 0.00 0.19 -0.50 3.15 1.57 -1.18 0.99 116.57 120.79 2kwp h LYS 37 Ca 0.02 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2kwp h LYS 37 Cb 0.10 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2kwp h LYS 37 CO -0.00 0.13 0.33 0.87 -0.57 0.00 0.00 179.45 180.21 2kwp h LYS 38 N 0.20 0.44 0.01 3.15 1.57 -1.00 -2.41 116.57 118.53 2kwp h LYS 38 Ca 0.14 -0.03 -0.33 0.00 -1.87 0.00 0.00 60.65 58.56 2kwp h LYS 38 Cb 0.30 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 2kwp h LYS 38 CO -0.02 0.29 -2.00 0.66 -0.57 0.00 0.00 179.45 177.81 2kwp n TYR 39 N -4.47 0.63 -1.32 -1.35 4.01 -0.10 -4.96 117.16 109.60 2kwp n TYR 39 Ca 0.07 0.21 -0.11 0.00 -0.16 0.00 0.00 57.90 57.91 2kwp n TYR 39 Cb 0.23 -1.11 -0.05 0.00 -0.31 0.00 0.00 39.34 38.10 2kwp n TYR 39 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2kwp n GLU 40 N -2.99 -1.00 -0.61 -0.72 2.13 0.15 -4.84 120.64 112.76 2kwp n GLU 40 Ca -0.25 0.86 0.08 0.00 0.66 0.00 0.00 57.16 58.50 2kwp n GLU 40 Cb 1.09 -4.90 0.32 0.00 0.27 0.00 0.00 31.44 28.21 2kwp n GLU 40 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2kwp n GLN 41 N -2.22 3.74 -3.99 5.31 6.02 -1.26 -4.95 117.38 120.03 2kwp n GLN 41 Ca -0.11 -2.91 -0.29 0.00 -0.01 0.00 0.00 57.00 53.68 2kwp n GLN 41 Cb 0.42 -1.96 -0.02 0.00 1.02 0.00 0.00 30.24 29.69 2kwp n GLN 41 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2kwp n GLU 42 N 0.19 -2.31 -3.11 -1.09 1.02 -1.26 -4.76 120.64 109.32 2kwp n GLU 42 Ca 0.24 0.33 -0.27 0.00 -0.02 0.00 0.00 57.16 57.43 2kwp n GLU 42 Cb 0.97 -4.12 -0.02 0.00 -0.02 0.00 0.00 31.44 28.25 2kwp n GLU 42 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2kwp s ILE 43 N -3.93 4.98 -0.40 -3.67 -4.36 -1.26 -4.57 121.20 108.00 2kwp s ILE 43 Ca 0.11 0.04 -0.22 0.00 -0.26 0.00 0.00 60.65 60.32 2kwp s ILE 43 Cb -0.05 -3.80 0.01 0.00 1.25 0.00 0.00 42.46 39.88 2kwp s ILE 43 CO 0.91 -0.54 0.75 -0.62 0.24 0.00 0.00 174.94 175.68 2kwp s ASP 44 N -3.60 6.46 -0.05 4.36 2.15 -1.26 -4.82 116.67 119.92 2kwp s ASP 44 Ca 0.45 0.11 0.05 0.00 0.43 0.00 0.00 52.55 53.59 2kwp s ASP 44 Cb -0.10 -2.37 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 2kwp s ASP 44 CO 0.35 -0.77 -0.21 -0.69 -0.17 0.00 0.00 175.17 173.68 2kwp s VAL 45 N 3.07 1.75 -0.11 1.11 1.01 -1.26 -1.96 120.40 124.02 2kwp s VAL 45 Ca 0.29 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2kwp s VAL 45 Cb -0.13 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2kwp s VAL 45 CO 0.19 0.49 -0.18 -0.60 0.00 0.00 0.00 175.10 175.01 2kwp s ARG 46 N -0.08 3.12 -0.08 2.72 3.52 0.50 -4.75 118.95 123.90 2kwp s ARG 46 Ca -0.03 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.83 2kwp s ARG 46 Cb -0.13 -2.46 -0.02 0.00 -1.56 0.00 0.00 34.95 30.78 2kwp s ARG 46 CO 0.03 0.26 -0.16 0.14 -0.81 0.00 0.00 175.30 174.76 2kwp s VAL 47 N 0.18 2.86 -0.05 7.11 -7.23 -1.26 0.59 120.40 122.61 2kwp s VAL 47 Ca -0.10 -0.77 0.05 0.00 -1.81 0.00 0.00 61.98 59.35 2kwp s VAL 47 Cb -0.16 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 2kwp s VAL 47 CO 0.06 0.57 -0.19 -1.58 -0.31 0.00 0.00 175.10 173.64 2kwp s GLN 48 N -0.27 2.50 0.03 4.82 0.74 -0.81 -4.74 119.66 121.92 2kwp s GLN 48 Ca 0.01 -0.80 0.03 0.00 0.05 0.00 0.00 55.36 54.66 2kwp s GLN 48 Cb -0.13 -2.27 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 2kwp s GLN 48 CO 0.03 0.52 -0.01 0.42 -0.55 0.00 0.00 175.29 175.69 2kwp s ILE 49 N -0.48 4.01 -0.44 -2.34 1.01 -1.26 -0.70 121.20 121.00 2kwp s ILE 49 Ca 0.06 -0.75 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 2kwp s ILE 49 Cb -0.12 -2.82 0.05 0.00 0.01 0.00 0.00 42.46 39.58 2kwp s ILE 49 CO 0.01 0.30 0.35 -0.62 0.00 0.00 0.00 174.94 174.98 2kwp s ASP 50 N -1.76 6.12 0.11 3.58 -1.08 0.73 -4.88 116.67 119.48 2kwp s ASP 50 Ca 0.21 -1.14 -0.17 0.00 -0.52 0.00 0.00 52.55 50.92 2kwp s ASP 50 Cb -0.11 -2.17 -0.05 0.00 -1.46 0.00 0.00 42.92 39.13 2kwp s ASP 50 CO 0.12 -0.56 1.60 -0.09 0.52 0.00 0.00 175.17 176.76 2kwp h ARG 51 N 8.69 0.51 0.41 4.34 2.43 -1.95 2.26 114.38 131.08 2kwp h ARG 51 Ca -0.28 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 2kwp h ARG 51 Cb 1.11 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2kwp h ARG 51 CO 0.81 0.59 -0.21 0.87 -1.51 0.00 0.00 179.97 180.51 2kwp h LYS 52 N 0.35 -0.55 -0.36 0.20 6.56 -1.97 -3.21 116.57 117.59 2kwp h LYS 52 Ca 0.10 0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.66 2kwp h LYS 52 Cb 0.31 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 2kwp h LYS 52 CO 0.00 -0.37 -0.03 0.77 -2.06 0.00 0.00 179.45 177.77 2kwp h SER 53 N -0.57 0.65 -0.26 0.86 0.02 -1.99 -3.47 113.55 108.79 2kwp h SER 53 Ca -0.06 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2kwp h SER 53 Cb 0.44 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2kwp h SER 53 CO 0.08 0.82 0.00 0.61 -1.14 0.00 0.00 176.83 177.21 2kwp n GLY 54 N -0.29 0.85 3.14 -3.77 0.00 0.76 -4.27 105.19 101.60 2kwp n GLY 54 Ca -0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 2kwp n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kwp s ASP 55 N -1.97 -0.13 0.03 1.61 2.15 -0.85 0.23 116.67 117.74 2kwp s ASP 55 Ca 0.00 0.15 0.07 0.00 0.43 0.00 0.00 52.55 53.20 2kwp s ASP 55 Cb 0.00 0.34 -0.02 0.00 -0.30 0.00 0.00 42.92 42.94 2kwp s ASP 55 CO 0.00 -0.26 -0.21 0.72 -0.17 0.00 0.00 175.17 175.25 2kwp s PHE 56 N -0.71 1.84 -0.05 -5.34 -0.12 -1.26 0.26 117.98 112.60 2kwp s PHE 56 Ca -0.08 -0.37 0.06 0.00 -0.05 0.00 0.00 56.93 56.48 2kwp s PHE 56 Cb -0.04 -1.11 -0.02 0.00 -0.63 0.00 0.00 43.02 41.21 2kwp s PHE 56 CO 0.02 0.07 -0.22 0.34 -0.05 0.00 0.00 175.22 175.38 2kwp s ASP 57 N -1.04 3.38 0.04 1.98 -1.08 0.13 -4.91 116.67 115.17 2kwp s ASP 57 Ca 0.08 -0.40 -0.21 0.00 -0.52 0.00 0.00 52.55 51.50 2kwp s ASP 57 Cb -0.09 -0.75 -0.06 0.00 -1.46 0.00 0.00 42.92 40.56 2kwp s ASP 57 CO 0.01 0.29 0.61 -0.89 0.52 0.00 0.00 175.17 175.71 2kwp s THR 58 N -0.40 4.79 0.05 1.71 2.01 -1.26 -1.93 115.64 120.60 2kwp s THR 58 Ca 0.04 1.29 0.03 0.00 0.31 0.00 0.00 61.69 63.37 2kwp s THR 58 Cb -0.12 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 2kwp s THR 58 CO 0.02 0.48 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.96 2kwp s PHE 59 N -0.63 0.90 0.06 4.92 0.08 0.20 -1.87 117.98 121.65 2kwp s PHE 59 Ca 0.31 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.94 2kwp s PHE 59 Cb -0.19 -0.53 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 2kwp s PHE 59 CO 0.19 -0.02 0.09 0.50 -0.10 0.00 0.00 175.22 175.88 2kwp s ARG 60 N -1.48 2.96 0.06 0.44 3.52 0.25 0.19 118.95 124.89 2kwp s ARG 60 Ca -0.05 -0.63 0.06 0.00 -0.13 0.00 0.00 55.73 54.98 2kwp s ARG 60 Cb -0.09 -2.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.49 2kwp s ARG 60 CO 0.01 0.58 -0.17 -0.98 -0.81 0.00 0.00 175.30 173.93 2kwp s ARG 61 N -2.27 1.06 0.12 5.12 1.70 -0.83 -0.76 118.95 123.09 2kwp s ARG 61 Ca 0.29 -0.93 0.06 0.00 -0.47 0.00 0.00 55.73 54.68 2kwp s ARG 61 Cb -0.12 -1.15 -0.04 0.00 -0.57 0.00 0.00 34.95 33.07 2kwp s ARG 61 CO 0.21 0.28 -0.14 -1.58 -1.08 0.00 0.00 175.30 172.99 2kwp s TRP 62 N -0.99 1.40 -0.16 5.89 0.51 -0.02 -4.59 118.94 120.97 2kwp s TRP 62 Ca 0.03 -0.56 -0.05 0.00 -2.12 0.00 0.00 56.10 53.40 2kwp s TRP 62 Cb -0.09 -0.73 -0.03 0.00 -0.81 0.00 0.00 33.47 31.81 2kwp s TRP 62 CO 0.02 0.14 0.01 -1.17 -0.51 0.00 0.00 176.95 175.45 2kwp s LEU 63 N -2.50 3.53 -0.19 2.99 1.98 -1.24 0.58 118.68 123.83 2kwp s LEU 63 Ca 0.09 -0.01 -0.29 0.00 -2.89 0.00 0.00 54.13 51.03 2kwp s LEU 63 Cb -0.04 -1.87 -0.04 0.00 0.66 0.00 0.00 46.19 44.90 2kwp s LEU 63 CO 0.03 0.19 1.72 -0.69 -1.89 0.00 0.00 176.35 175.71 2kwp s VAL 64 N 0.27 3.54 -0.03 1.68 1.01 -0.63 -1.45 120.40 124.79 2kwp s VAL 64 Ca 0.00 0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.65 2kwp s VAL 64 Cb -0.13 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2kwp s VAL 64 CO 0.02 -0.22 -0.19 -0.69 0.00 0.00 0.00 175.10 174.01 2kwp s VAL 65 N 5.45 1.54 -0.18 2.92 1.01 0.16 -3.25 120.40 128.07 2kwp s VAL 65 Ca 0.77 -0.81 0.26 0.00 0.00 0.00 0.00 61.98 62.20 2kwp s VAL 65 Cb -0.28 -1.30 0.27 0.00 0.00 0.00 0.00 36.38 35.07 2kwp s VAL 65 CO 0.31 0.44 1.79 -0.78 0.00 0.00 0.00 175.10 176.86 2kwp h ASP 66 N 5.93 0.00 -0.40 3.32 3.58 -1.92 1.86 116.42 128.79 2kwp h ASP 66 Ca -0.35 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 56.81 2kwp h ASP 66 Cb 1.16 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.00 2kwp h ASP 66 CO 0.48 0.00 -0.60 1.21 -2.88 0.00 0.00 179.24 177.45 2kwp n GLU 67 N -2.42 1.07 -1.71 0.28 2.13 -1.26 -4.56 120.64 114.16 2kwp n GLU 67 Ca -0.00 -2.24 -0.66 0.00 0.66 0.00 0.00 57.16 54.92 2kwp n GLU 67 Cb 0.14 -0.90 -0.10 0.00 0.27 0.00 0.00 31.44 30.85 2kwp n GLU 67 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2kwp n VAL 68 N 0.06 0.04 0.46 6.31 0.31 -1.23 -4.79 118.33 119.50 2kwp n VAL 68 Ca 0.07 -0.01 0.12 0.00 -0.01 0.00 0.00 64.34 64.50 2kwp n VAL 68 Cb 0.74 -0.61 0.06 0.00 -0.91 0.00 0.00 33.84 33.12 2kwp n VAL 68 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2kwp n THR 69 N 4.27 0.30 -3.67 2.52 -2.24 -1.26 -4.64 114.28 109.56 2kwp n THR 69 Ca 0.32 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 2kwp n THR 69 Cb -0.03 -0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.06 2kwp n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2kwp s GLN 70 N -3.23 0.99 0.00 -0.78 1.11 -1.26 -4.96 119.66 111.53 2kwp s GLN 70 Ca 0.03 -1.62 0.15 0.00 0.01 0.00 0.00 55.36 53.93 2kwp s GLN 70 Cb 0.13 -2.05 0.91 0.00 -1.01 0.00 0.00 33.01 30.99 2kwp s GLN 70 CO 0.78 -1.12 1.33 -0.35 0.01 0.00 0.00 175.29 175.93 2kwp n PRO 71 N 4.00 0.49 0.17 2.91 -0.04 -1.26 -1.70 135.00 139.57 2kwp n PRO 71 Ca 0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.56 2kwp n PRO 71 Cb 0.37 -1.49 0.30 0.00 -0.04 0.00 0.00 33.50 32.63 2kwp n PRO 71 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2kwp h THR 72 N 0.00 1.06 0.00 0.52 1.35 -1.91 -3.35 112.91 110.58 2kwp h THR 72 Ca 0.00 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 2kwp h THR 72 Cb 0.00 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2kwp h THR 72 CO 0.00 0.43 -0.20 2.29 -0.25 0.00 0.00 175.52 177.79 2kwp n LYS 73 N -3.65 0.00 -4.22 4.72 0.00 -1.15 -4.09 118.16 109.78 2kwp n LYS 73 Ca -0.01 -0.49 -0.15 0.00 -0.00 0.00 0.00 58.31 57.66 2kwp n LYS 73 Cb 0.53 -0.28 -0.11 0.00 -0.00 0.00 0.00 35.03 35.17 2kwp n LYS 73 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2kwp s GLU 74 N 0.00 0.96 -0.08 -1.58 2.02 -0.69 -3.71 118.70 115.63 2kwp s GLU 74 Ca 0.00 -1.26 0.02 0.00 0.02 0.00 0.00 54.97 53.75 2kwp s GLU 74 Cb 0.00 -0.68 0.01 0.00 0.10 0.00 0.00 34.13 33.57 2kwp s GLU 74 CO 0.00 0.11 -0.15 -1.50 0.02 0.00 0.00 175.26 173.74 2kwp s ILE 75 N -2.59 1.36 0.68 -1.63 2.07 -0.53 -4.36 121.20 116.20 2kwp s ILE 75 Ca 0.10 -0.59 -0.16 0.00 -1.41 0.00 0.00 60.65 58.59 2kwp s ILE 75 Cb -0.02 -1.23 0.01 0.00 0.13 0.00 0.00 42.46 41.36 2kwp s ILE 75 CO 0.01 0.41 1.17 0.42 -1.91 0.00 0.00 174.94 175.04 2kwp s THR 76 N 0.71 2.67 0.15 4.00 -4.23 -1.26 -0.66 115.64 117.02 2kwp s THR 76 Ca -0.13 0.34 -0.19 0.00 -1.18 0.00 0.00 61.69 60.53 2kwp s THR 76 Cb -0.16 -2.92 0.03 0.00 1.34 0.00 0.00 72.50 70.80 2kwp s THR 76 CO 0.03 -0.17 1.68 0.25 -0.54 0.00 0.00 174.62 175.87 2kwp h LEU 77 N 0.01 -0.35 -0.19 4.79 7.12 0.27 0.99 115.31 127.95 2kwp h LEU 77 Ca -0.48 0.10 0.04 0.00 0.13 0.00 0.00 57.88 57.66 2kwp h LEU 77 Cb 1.28 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 41.59 2kwp h LEU 77 CO 0.52 -0.13 -0.03 -0.08 -0.13 0.00 0.00 178.44 178.59 2kwp h GLU 78 N -0.04 0.02 -0.90 1.25 4.81 -1.90 -0.05 114.58 117.76 2kwp h GLU 78 Ca 0.14 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2kwp h GLU 78 Cb 0.26 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2kwp h GLU 78 CO -0.32 0.01 0.57 0.00 -0.73 0.00 0.00 179.01 178.54 2kwp h ALA 79 N 1.18 1.31 0.15 2.92 0.00 -1.62 -2.18 119.26 121.02 2kwp h ALA 79 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kwp h ALA 79 Cb 0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2kwp h ALA 79 CO -0.18 0.61 -0.14 0.00 0.00 0.00 0.00 179.25 179.55 2kwp h ALA 80 N 1.40 -0.28 -0.46 0.00 0.00 0.22 -1.76 119.26 118.38 2kwp h ALA 80 Ca 0.33 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.28 2kwp h ALA 80 Cb -0.10 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 2kwp h ALA 80 CO -0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 179.25 178.50 2kwp h ARG 81 N -0.31 0.10 -0.67 0.00 3.08 -0.62 0.44 114.38 116.40 2kwp h ARG 81 Ca 0.00 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.16 2kwp h ARG 81 Cb 0.29 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.23 2kwp h ARG 81 CO -0.03 0.06 0.24 1.88 -1.07 0.00 0.00 179.97 181.05 2kwp h TYR 82 N 0.10 0.40 0.00 3.04 0.05 -0.92 0.20 116.97 119.84 2kwp h TYR 82 Ca 0.23 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.93 2kwp h TYR 82 Cb 0.34 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 2kwp h TYR 82 CO -0.31 0.06 -0.52 0.93 -1.05 0.00 0.00 178.16 177.27 2kwp h GLU 83 N 0.40 0.00 -0.13 4.88 5.08 -0.23 -3.43 114.58 121.15 2kwp h GLU 83 Ca 0.35 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.97 2kwp h GLU 83 Cb 0.49 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.55 2kwp h GLU 83 CO -0.36 0.52 0.08 -0.51 -1.00 0.00 0.00 179.01 177.74 2kwp s ASP 84 N -6.69 -0.21 0.62 1.42 1.01 0.14 -4.99 116.67 107.97 2kwp s ASP 84 Ca -0.01 0.04 0.27 0.00 0.71 0.00 0.00 52.55 53.56 2kwp s ASP 84 Cb 0.12 1.14 1.37 0.00 1.01 0.00 0.00 42.92 46.56 2kwp s ASP 84 CO 0.73 -0.04 1.79 -0.33 0.21 0.00 0.00 175.17 177.53 2kwp h GLU 85 N 7.29 0.00 0.00 8.23 5.08 -1.18 1.05 114.58 135.05 2kwp h GLU 85 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kwp h GLU 85 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kwp h GLU 85 CO -0.15 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.73 2kwp n SER 86 N -3.31 0.00 -4.83 1.42 3.41 -1.26 -4.71 113.62 104.34 2kwp n SER 86 Ca 0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.32 2kwp n SER 86 Cb 0.67 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 2kwp n SER 86 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kwp s LEU 87 N -2.52 4.27 0.22 1.04 1.43 0.36 -5.07 118.68 118.40 2kwp s LEU 87 Ca 0.16 1.32 -0.09 0.00 -1.03 0.00 0.00 54.13 54.49 2kwp s LEU 87 Cb 0.11 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 2kwp s LEU 87 CO 0.24 -0.02 0.36 0.54 0.23 0.00 0.00 176.35 177.70 2kwp s ASN 88 N -1.84 -0.01 0.18 2.29 4.22 -1.26 -4.63 114.94 113.89 2kwp s ASN 88 Ca 0.45 -1.00 -0.33 0.00 -2.14 0.00 0.00 52.86 49.83 2kwp s ASN 88 Cb -0.15 0.51 -0.14 0.00 1.28 0.00 0.00 41.25 42.75 2kwp s ASN 88 CO 0.20 -1.01 1.52 0.18 -2.04 0.00 0.00 177.10 175.94 2kwp n LEU 89 N -0.32 3.01 0.00 3.54 7.99 -1.26 -0.86 117.00 129.10 2kwp n LEU 89 Ca -0.02 1.10 0.00 0.00 -0.01 0.00 0.00 56.01 57.08 2kwp n LEU 89 Cb 0.63 -1.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.53 2kwp n LEU 89 CO 0.25 -0.39 0.00 0.61 -1.51 0.00 0.00 177.39 176.35 2kwp n GLY 90 N 3.01 1.87 3.96 -0.72 0.00 -1.20 -4.98 105.19 107.13 2kwp n GLY 90 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2kwp n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kwp s ASP 91 N -1.49 5.80 -0.13 1.61 2.15 -0.04 -4.91 116.67 119.66 2kwp s ASP 91 Ca 0.00 0.21 0.02 0.00 0.43 0.00 0.00 52.55 53.21 2kwp s ASP 91 Cb 0.00 -1.44 0.01 0.00 -0.30 0.00 0.00 42.92 41.19 2kwp s ASP 91 CO 0.00 -0.71 -0.19 -0.31 -0.17 0.00 0.00 175.17 173.78 2kwp s TYR 92 N -2.54 2.42 0.23 -5.34 2.02 -1.26 -1.60 117.35 111.28 2kwp s TYR 92 Ca 0.49 -1.22 -0.30 0.00 -0.37 0.00 0.00 57.07 55.67 2kwp s TYR 92 Cb -0.10 -1.68 -0.09 0.00 -0.40 0.00 0.00 41.96 39.69 2kwp s TYR 92 CO 0.37 -0.58 0.94 0.08 -1.57 0.00 0.00 175.55 174.79 2kwp s VAL 93 N 0.93 4.11 0.14 0.71 1.01 0.20 -4.79 120.40 122.71 2kwp s VAL 93 Ca -0.06 2.07 0.05 0.00 0.00 0.00 0.00 61.98 64.05 2kwp s VAL 93 Cb -0.15 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 2kwp s VAL 93 CO -0.03 0.49 0.07 -1.61 0.00 0.00 0.00 175.10 174.02 2kwp s GLU 94 N -1.09 2.71 -0.01 2.72 2.02 -1.26 -0.84 118.70 122.95 2kwp s GLU 94 Ca 0.41 -0.89 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 2kwp s GLU 94 Cb -0.26 -2.57 0.07 0.00 0.10 0.00 0.00 34.13 31.48 2kwp s GLU 94 CO 0.32 0.50 0.69 0.34 0.02 0.00 0.00 175.26 177.12 2kwp s ASP 95 N -2.81 -0.61 -0.12 -0.19 2.15 0.06 -4.96 116.67 110.19 2kwp s ASP 95 Ca 0.29 0.52 -0.05 0.00 0.43 0.00 0.00 52.55 53.74 2kwp s ASP 95 Cb -0.10 0.53 -0.04 0.00 -0.30 0.00 0.00 42.92 43.01 2kwp s ASP 95 CO 0.21 -0.67 0.07 0.00 -0.17 0.00 0.00 175.17 174.61 2kwp s GLN 96 N -1.81 3.37 0.10 4.34 -2.07 -1.26 0.87 119.66 123.19 2kwp s GLN 96 Ca -0.07 -0.28 0.04 0.00 -1.82 0.00 0.00 55.36 53.22 2kwp s GLN 96 Cb -0.00 -3.04 -0.04 0.00 -1.09 0.00 0.00 33.01 28.84 2kwp s GLN 96 CO 0.04 0.65 -0.10 0.96 -1.32 0.00 0.00 175.29 175.51 2kwp s ILE 97 N -0.68 0.98 0.53 3.63 -4.36 -0.78 -4.83 121.20 115.69 2kwp s ILE 97 Ca 0.12 -1.64 -0.22 0.00 -0.26 0.00 0.00 60.65 58.65 2kwp s ILE 97 Cb -0.12 -1.37 -0.06 0.00 1.25 0.00 0.00 42.46 42.16 2kwp s ILE 97 CO 0.02 -0.54 1.29 -0.62 0.24 0.00 0.00 174.94 175.33 2kwp n GLU 98 N 0.56 1.60 -4.20 0.37 1.02 -1.26 -4.36 120.64 114.38 2kwp n GLU 98 Ca -0.16 0.59 -0.13 0.00 -0.02 0.00 0.00 57.16 57.44 2kwp n GLU 98 Cb 0.58 -2.48 -0.10 0.00 -0.02 0.00 0.00 31.44 29.41 2kwp n GLU 98 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kwp s SER 99 N -0.90 1.43 0.02 1.62 0.15 -1.26 -4.91 113.70 109.85 2kwp s SER 99 Ca 0.71 -0.97 -0.30 0.00 0.70 0.00 0.00 55.95 56.08 2kwp s SER 99 Cb -0.43 0.04 -0.07 0.00 -1.71 0.00 0.00 66.02 63.85 2kwp s SER 99 CO 0.50 -0.38 1.53 0.54 1.20 0.00 0.00 173.24 176.63 2kwp s VAL 100 N -3.28 3.42 0.57 4.45 0.11 -1.26 -4.96 120.40 119.44 2kwp s VAL 100 Ca 0.12 0.81 -0.19 0.00 -2.93 0.00 0.00 61.98 59.79 2kwp s VAL 100 Cb 0.03 -3.52 -0.05 0.00 -1.53 0.00 0.00 36.38 31.31 2kwp s VAL 100 CO -0.02 -0.01 1.18 0.42 -3.33 0.00 0.00 175.10 173.34 2kwp s THR 101 N 2.65 2.83 -1.50 5.04 -4.23 -1.26 -4.92 115.64 114.26 2kwp s THR 101 Ca 0.69 0.52 0.20 0.00 -1.18 0.00 0.00 61.69 61.92 2kwp s THR 101 Cb -0.35 -3.21 0.70 0.00 1.34 0.00 0.00 72.50 70.98 2kwp s THR 101 CO 0.29 -0.10 1.60 0.33 -0.54 0.00 0.00 174.62 176.20 2kwp n PHE 102 N -1.42 1.31 -0.35 3.99 7.35 -1.26 -4.52 117.46 122.56 2kwp n PHE 102 Ca 0.13 -0.56 0.28 0.00 -0.76 0.00 0.00 57.45 56.53 2kwp n PHE 102 Cb 0.50 -0.15 0.53 0.00 0.35 0.00 0.00 39.48 40.71 2kwp n PHE 102 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2kwp h ASP 103 N 4.23 0.43 -3.56 -2.13 3.32 -2.02 -3.38 116.42 113.31 2kwp h ASP 103 Ca 0.00 0.19 -0.50 0.00 0.02 0.00 0.00 57.03 56.74 2kwp h ASP 103 Cb 1.28 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.98 2kwp h ASP 103 CO 0.14 -0.20 0.03 -0.13 -1.72 0.00 0.00 179.24 177.37 2kwp s ARG 104 N -5.57 3.77 -0.18 3.56 0.52 -1.26 -5.04 118.95 114.75 2kwp s ARG 104 Ca -0.09 0.36 -0.21 0.00 -0.52 0.00 0.00 55.73 55.27 2kwp s ARG 104 Cb 0.31 -2.48 -0.03 0.00 0.52 0.00 0.00 34.95 33.28 2kwp s ARG 104 CO 0.79 0.07 0.64 0.42 0.02 0.00 0.00 175.30 177.25 2kwp s ILE 105 N -2.22 5.02 0.12 1.52 1.01 -1.26 -5.04 121.20 120.34 2kwp s ILE 105 Ca 0.49 1.23 -0.22 0.00 0.00 0.00 0.00 60.65 62.15 2kwp s ILE 105 Cb -0.10 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 2kwp s ILE 105 CO 0.29 0.13 0.68 -0.89 0.00 0.00 0.00 174.94 175.14 2kwp s THR 106 N 1.75 4.55 0.02 2.92 2.01 -1.26 -5.07 115.64 120.56 2kwp s THR 106 Ca 0.30 1.47 0.05 0.00 0.31 0.00 0.00 61.69 63.82 2kwp s THR 106 Cb -0.16 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2kwp s THR 106 CO 0.11 0.53 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.53 2kwp s THR 107 N -1.10 1.26 0.00 -0.82 2.01 -1.26 -4.58 115.64 111.15 2kwp s THR 107 Ca 0.32 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2kwp s THR 107 Cb -0.21 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.21 2kwp s THR 107 CO 0.23 0.20 0.00 1.67 -0.69 0.00 0.00 174.62 176.03 2kwp n GLN 108 N 2.27 0.00 -0.15 4.92 7.27 -1.26 -4.13 117.38 126.30 2kwp n GLN 108 Ca -0.16 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 56.86 2kwp n GLN 108 Cb 0.54 0.00 0.04 0.00 2.41 0.00 0.00 30.24 33.24 2kwp n GLN 108 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 2kwp h THR 109 N 0.00 0.97 0.01 1.69 2.02 -1.98 2.08 112.91 117.69 2kwp h THR 109 Ca 0.00 -0.16 -0.17 0.00 0.77 0.00 0.00 66.41 66.84 2kwp h THR 109 Cb 0.00 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2kwp h THR 109 CO 0.00 0.09 -0.68 0.00 0.37 0.00 0.00 175.52 175.30 2kwp h ALA 110 N 1.25 0.07 -0.01 6.16 0.00 -1.81 -3.19 119.26 121.74 2kwp h ALA 110 Ca 0.21 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 2kwp h ALA 110 Cb 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kwp h ALA 110 CO -0.14 0.40 -0.52 0.87 0.00 0.00 0.00 179.25 179.85 2kwp h LYS 111 N -0.05 0.03 -0.73 0.00 1.79 -1.78 -2.85 116.57 112.98 2kwp h LYS 111 Ca -0.09 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2kwp h LYS 111 Cb 1.39 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.00 2kwp h LYS 111 CO 0.13 0.55 0.48 0.37 -1.08 0.00 0.00 179.45 179.90 2kwp h GLN 112 N 0.02 0.96 -0.14 3.15 4.15 0.34 -1.20 115.11 122.40 2kwp h GLN 112 Ca -0.00 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.22 2kwp h GLN 112 Cb 0.93 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 2kwp h GLN 112 CO 0.07 0.64 -0.52 -0.24 -1.93 0.00 0.00 178.83 176.85 2kwp h VAL 113 N 0.99 1.34 -0.34 2.39 3.04 -1.52 -2.34 116.25 119.82 2kwp h VAL 113 Ca 0.27 -1.77 -0.07 0.00 -1.01 0.00 0.00 66.70 64.11 2kwp h VAL 113 Cb -0.11 1.80 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 2kwp h VAL 113 CO -0.06 0.54 -0.09 0.40 -1.01 0.00 0.00 177.57 177.35 2kwp h ILE 114 N 0.30 1.23 -0.13 3.17 2.04 -1.16 -1.00 117.51 121.96 2kwp h ILE 114 Ca 0.01 -1.01 -0.21 0.00 1.00 0.00 0.00 64.86 64.65 2kwp h ILE 114 Cb 1.02 1.08 0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2kwp h ILE 114 CO 0.09 0.34 -0.75 0.58 0.00 0.00 0.00 178.15 178.40 2kwp h VAL 115 N 0.53 1.29 -0.39 1.67 2.07 -1.06 -2.13 116.25 118.22 2kwp h VAL 115 Ca 0.10 -1.97 -0.05 0.00 0.82 0.00 0.00 66.70 65.59 2kwp h VAL 115 Cb 0.48 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2kwp h VAL 115 CO 0.03 0.62 0.03 1.56 0.02 0.00 0.00 177.57 179.83 2kwp h GLN 116 N 0.44 0.67 -0.62 1.57 4.20 -1.20 0.15 115.11 120.33 2kwp h GLN 116 Ca -0.06 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 2kwp h GLN 116 Cb 1.39 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.08 2kwp h GLN 116 CO 0.16 0.74 0.14 0.87 -0.67 0.00 0.00 178.83 180.07 2kwp h LYS 117 N 0.51 1.00 -0.38 1.46 1.79 -1.22 -2.14 116.57 117.58 2kwp h LYS 117 Ca 0.12 -0.25 -0.16 0.00 -2.18 0.00 0.00 60.65 58.18 2kwp h LYS 117 Cb 0.42 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2kwp h LYS 117 CO 0.01 0.92 -0.38 0.28 -1.08 0.00 0.00 179.45 179.20 2kwp h VAL 118 N 0.92 1.27 -0.99 0.50 2.07 -1.22 -2.60 116.25 116.21 2kwp h VAL 118 Ca 0.19 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.19 2kwp h VAL 118 Cb 0.38 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 2kwp h VAL 118 CO 0.00 0.52 0.65 -0.09 0.02 0.00 0.00 177.57 178.67 2kwp h ARG 119 N 0.76 1.22 -0.16 1.57 2.43 -0.49 -1.12 114.38 118.60 2kwp h ARG 119 Ca 0.06 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 2kwp h ARG 119 Cb 0.98 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2kwp h ARG 119 CO 0.09 0.81 -0.33 0.93 -1.51 0.00 0.00 179.97 179.96 2kwp h GLU 120 N 1.26 0.31 0.00 0.20 5.08 -1.26 -2.40 114.58 117.77 2kwp h GLU 120 Ca 0.39 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2kwp h GLU 120 Cb -0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2kwp h GLU 120 CO -0.12 0.62 -0.24 0.00 -1.00 0.00 0.00 179.01 178.27 2kwp h ALA 121 N 1.38 1.25 -0.46 3.43 0.00 -0.83 -2.59 119.26 121.43 2kwp h ALA 121 Ca 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2kwp h ALA 121 Cb 0.73 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2kwp h ALA 121 CO 0.06 0.30 0.04 0.93 0.00 0.00 0.00 179.25 180.57 2kwp h GLU 122 N 0.00 0.74 -0.56 0.00 5.08 -0.87 -2.73 114.58 116.24 2kwp h GLU 122 Ca -0.00 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2kwp h GLU 122 Cb 0.56 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2kwp h GLU 122 CO 0.03 0.72 0.25 -0.09 -1.00 0.00 0.00 179.01 178.93 2kwp h ARG 123 N 0.70 0.46 -1.90 2.33 2.43 -1.51 -3.45 114.38 113.44 2kwp h ARG 123 Ca 0.15 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.39 2kwp h ARG 123 Cb 0.38 -0.10 -0.19 0.00 -0.42 0.00 0.00 29.97 29.63 2kwp h ARG 123 CO 0.01 0.30 0.52 0.00 -1.51 0.00 0.00 179.97 179.30 2kwp s ALA 124 N -6.11 -1.88 -0.17 2.80 0.00 -1.03 -5.15 121.76 110.22 2kwp s ALA 124 Ca -0.13 1.32 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 2kwp s ALA 124 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 2kwp s ALA 124 CO 0.74 -0.50 -0.04 1.41 0.00 0.00 0.00 175.76 177.37 2kwp s MET 125 N -2.10 3.58 0.29 0.00 1.75 -1.26 -4.61 119.30 116.95 2kwp s MET 125 Ca 0.02 -0.56 -0.01 0.00 -1.25 0.00 0.00 55.69 53.88 2kwp s MET 125 Cb -0.01 -2.92 0.45 0.00 2.84 0.00 0.00 34.83 35.20 2kwp s MET 125 CO -0.03 0.14 1.92 -0.07 -0.65 0.00 0.00 175.02 176.32 2kwp h LEU 126 N 7.04 0.98 -9.74 4.11 3.38 -2.00 -3.41 115.31 115.66 2kwp h LEU 126 Ca -0.32 -0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.12 2kwp h LEU 126 Cb 1.19 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 41.75 2kwp h LEU 126 CO 0.61 0.66 0.58 -0.69 0.09 0.00 0.00 178.44 179.68 2kwp s VAL 127 N -5.96 3.29 0.43 1.22 1.01 -1.26 -4.99 120.40 114.13 2kwp s VAL 127 Ca -0.12 1.17 -0.24 0.00 0.00 0.00 0.00 61.98 62.79 2kwp s VAL 127 Cb 0.19 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 2kwp s VAL 127 CO 0.80 0.22 1.17 -2.16 0.00 0.00 0.00 175.10 175.13 2kwp s PRO 128 N -0.81 3.93 0.00 2.72 0.04 -1.26 -5.21 135.00 134.41 2kwp s PRO 128 Ca 0.51 1.81 0.25 0.00 0.04 0.00 0.00 61.00 63.61 2kwp s PRO 128 Cb -0.35 -2.56 0.47 0.00 0.04 0.00 0.00 34.50 32.11 2kwp s PRO 128 CO 0.41 -0.42 1.42 0.54 0.04 0.00 0.00 177.00 179.00