#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 5.61 0.54 7.83 0.01 0.48 -4.93 114.94 124.48 2kwp s ASN 2 Ca 0.00 -1.29 0.29 0.00 -0.71 0.00 0.00 52.86 51.14 2kwp s ASN 2 Cb 0.00 -1.98 1.57 0.00 0.41 0.00 0.00 41.25 41.25 2kwp s ASN 2 CO 0.00 -0.46 2.12 0.50 -1.51 0.00 0.00 177.10 177.76 2kwp h LYS 3 N 8.38 0.00 -0.83 -0.60 3.64 -1.85 -2.17 116.57 123.14 2kwp h LYS 3 Ca -0.24 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.19 2kwp h LYS 3 Cb 1.09 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 2kwp h LYS 3 CO 0.70 0.08 0.54 0.93 -2.27 0.00 0.00 179.45 179.44 2kwp h GLU 4 N 0.00 0.94 -0.12 1.90 3.07 -1.91 0.14 114.58 118.60 2kwp h GLU 4 Ca -0.00 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.84 2kwp h GLU 4 Cb 0.25 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 27.91 2kwp h GLU 4 CO 0.01 0.62 -0.10 0.82 -1.40 0.00 0.00 179.01 178.96 2kwp h ILE 5 N 0.97 0.71 -0.05 3.13 1.08 -1.67 0.14 117.51 121.82 2kwp h ILE 5 Ca 0.34 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.71 2kwp h ILE 5 Cb 0.13 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 2kwp h ILE 5 CO -0.11 0.00 -0.46 -0.07 -0.69 0.00 0.00 178.15 176.81 2kwp h LEU 6 N -0.12 0.13 -0.02 1.44 4.07 -1.53 -2.36 115.31 116.93 2kwp h LEU 6 Ca 0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 2kwp h LEU 6 Cb 0.23 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 2kwp h LEU 6 CO -0.19 0.58 0.00 0.00 -1.08 0.00 0.00 178.44 177.76 2kwp h ALA 7 N 1.42 0.02 -0.51 1.53 0.00 0.00 -0.55 119.26 121.18 2kwp h ALA 7 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2kwp h ALA 7 Cb 0.86 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2kwp h ALA 7 CO 0.07 -0.33 0.13 0.28 0.00 0.00 0.00 179.25 179.40 2kwp h VAL 8 N -0.24 1.21 -0.06 0.00 2.07 -0.71 -2.02 116.25 116.51 2kwp h VAL 8 Ca 0.01 -0.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 2kwp h VAL 8 Cb 0.28 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2kwp h VAL 8 CO 0.00 0.28 -0.46 0.58 0.02 0.00 0.00 177.57 178.00 2kwp h VAL 9 N 0.75 1.33 -0.06 2.57 2.07 -1.25 -2.52 116.25 119.14 2kwp h VAL 9 Ca 0.17 -1.60 -0.14 0.00 0.82 0.00 0.00 66.70 65.95 2kwp h VAL 9 Cb 0.26 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2kwp h VAL 9 CO -0.00 0.47 -0.57 -0.08 0.02 0.00 0.00 177.57 177.40 2kwp h GLU 10 N 0.11 0.18 -0.05 1.57 4.81 -0.40 -0.51 114.58 120.29 2kwp h GLU 10 Ca 0.01 -0.12 -0.18 0.00 -0.13 0.00 0.00 59.36 58.94 2kwp h GLU 10 Cb 0.85 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2kwp h GLU 10 CO 0.07 0.71 -0.74 0.00 -0.73 0.00 0.00 179.01 178.31 2kwp h ALA 11 N 1.27 0.65 0.01 2.92 0.00 -1.15 -2.25 119.26 120.71 2kwp h ALA 11 Ca -0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 54.91 54.06 2kwp h ALA 11 Cb 1.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2kwp h ALA 11 CO 0.09 0.80 -1.08 0.28 0.00 0.00 0.00 179.25 179.34 2kwp h VAL 12 N 0.19 1.63 -0.07 0.00 2.07 -1.33 -2.47 116.25 116.28 2kwp h VAL 12 Ca -0.03 -3.34 -0.17 0.00 0.82 0.00 0.00 66.70 63.98 2kwp h VAL 12 Cb 1.31 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 2kwp h VAL 12 CO 0.12 0.94 -0.70 -1.28 0.02 0.00 0.00 177.57 176.66 2kwp h SER 13 N 0.01 0.40 0.33 0.57 0.87 -1.06 -1.36 113.55 113.31 2kwp h SER 13 Ca -0.04 -0.26 -0.28 0.00 -1.23 0.00 0.00 61.79 59.98 2kwp h SER 13 Cb 1.81 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 63.67 2kwp h SER 13 CO 0.13 0.98 -1.23 -1.13 -0.53 0.00 0.00 176.83 175.05 2kwp h ASN 14 N 0.23 0.68 -0.19 6.23 -1.24 -1.46 1.31 115.58 121.14 2kwp h ASN 14 Ca -0.02 -0.65 -0.08 0.00 0.71 0.00 0.00 56.30 56.25 2kwp h ASN 14 Cb 1.26 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 40.09 2kwp h ASN 14 CO 0.12 1.48 -0.19 -0.33 -1.29 0.00 0.00 177.43 177.22 2kwp h GLU 15 N 0.19 0.47 -0.01 6.67 4.39 -1.44 -3.20 114.58 121.65 2kwp h GLU 15 Ca -0.16 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2kwp h GLU 15 Cb 1.91 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.57 2kwp h GLU 15 CO 0.22 0.82 -0.56 1.17 -1.16 0.00 0.00 179.01 179.49 2kwp n LYS 16 N -4.46 0.74 -1.21 2.33 3.00 -0.51 -4.93 118.16 113.12 2kwp n LYS 16 Ca -0.05 -0.57 -0.07 0.00 -0.00 0.00 0.00 58.31 57.61 2kwp n LYS 16 Cb 0.40 -1.49 -0.03 0.00 0.00 0.00 0.00 35.03 33.91 2kwp n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kwp n ALA 17 N -0.63 -0.11 -1.85 3.14 0.00 0.45 -4.95 120.51 116.56 2kwp n ALA 17 Ca 0.08 0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 2kwp n ALA 17 Cb 0.40 -1.59 0.10 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.61 2.44 0.39 0.00 1.02 -1.02 -4.95 118.68 114.96 2kwp s LEU 18 Ca 0.00 0.82 -0.26 0.00 0.02 0.00 0.00 54.13 54.71 2kwp s LEU 18 Cb 0.00 -3.29 -0.09 0.00 0.02 0.00 0.00 46.19 42.83 2kwp s LEU 18 CO 0.00 -1.98 1.19 -2.16 0.02 0.00 0.00 176.35 173.41 2kwp s PRO 19 N -5.53 4.08 0.37 1.29 0.04 -1.26 -4.59 135.00 129.40 2kwp s PRO 19 Ca 0.62 1.89 0.06 0.00 0.04 0.00 0.00 61.00 63.61 2kwp s PRO 19 Cb -0.12 -2.72 0.73 0.00 0.04 0.00 0.00 34.50 32.44 2kwp s PRO 19 CO 0.50 -0.31 1.97 0.00 0.04 0.00 0.00 177.00 179.19 2kwp h ARG 20 N 2.71 0.54 0.25 4.56 3.08 -1.95 -2.74 114.38 120.83 2kwp h ARG 20 Ca -0.49 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.48 2kwp h ARG 20 Cb 1.23 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2kwp h ARG 20 CO 0.63 0.45 -0.12 0.93 -1.07 0.00 0.00 179.97 180.79 2kwp h GLU 21 N 0.53 -0.32 -0.29 0.04 5.08 -1.98 -2.55 114.58 115.10 2kwp h GLU 21 Ca 0.13 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 2kwp h GLU 21 Cb 0.12 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 2kwp h GLU 21 CO -0.01 -0.18 -0.27 -0.22 -1.00 0.00 0.00 179.01 177.33 2kwp h LYS 22 N -0.38 -0.25 -0.57 2.33 1.63 -1.88 -1.01 116.57 116.44 2kwp h LYS 22 Ca -0.03 0.02 0.11 0.00 -0.85 0.00 0.00 60.65 59.89 2kwp h LYS 22 Cb 0.29 0.06 -0.11 0.00 -0.60 0.00 0.00 32.23 31.86 2kwp h LYS 22 CO 0.06 -0.17 -0.24 0.82 -3.45 0.00 0.00 179.45 176.47 2kwp h ILE 23 N -0.26 0.29 -0.80 2.00 2.04 -1.36 1.05 117.51 120.47 2kwp h ILE 23 Ca 0.15 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.21 2kwp h ILE 23 Cb 0.49 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 2kwp h ILE 23 CO -0.43 0.00 0.55 -0.26 0.00 0.00 0.00 178.15 178.01 2kwp h PHE 24 N -0.10 0.28 -0.58 1.37 0.04 -0.79 0.24 116.94 117.41 2kwp h PHE 24 Ca 0.26 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 2kwp h PHE 24 Cb 0.50 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 2kwp h PHE 24 CO -0.55 0.08 0.24 1.49 -0.60 0.00 0.00 178.31 178.98 2kwp h GLU 25 N 0.22 0.87 -0.26 1.51 4.81 0.18 0.02 114.58 121.93 2kwp h GLU 25 Ca 0.40 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2kwp h GLU 25 Cb 1.23 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2kwp h GLU 25 CO -0.09 0.74 0.01 0.00 -0.73 0.00 0.00 179.01 178.94 2kwp h ALA 26 N 1.09 0.35 -0.56 2.92 0.00 -0.04 -2.07 119.26 120.94 2kwp h ALA 26 Ca 0.20 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2kwp h ALA 26 Cb 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2kwp h ALA 26 CO -0.02 0.08 0.32 -0.07 0.00 0.00 0.00 179.25 179.55 2kwp h LEU 27 N 0.24 0.49 -0.76 0.00 3.38 -1.02 -1.49 115.31 116.14 2kwp h LEU 27 Ca 0.08 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2kwp h LEU 27 Cb 0.40 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2kwp h LEU 27 CO 0.01 0.33 0.47 -0.33 0.09 0.00 0.00 178.44 179.02 2kwp h GLU 28 N 0.61 0.87 -0.66 1.13 5.08 -0.81 -0.21 114.58 120.61 2kwp h GLU 28 Ca 0.24 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2kwp h GLU 28 Cb 0.09 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2kwp h GLU 28 CO -0.13 0.58 0.43 1.03 -1.00 0.00 0.00 179.01 179.91 2kwp h SER 29 N 0.90 0.77 -0.20 1.42 0.87 -0.59 0.21 113.55 116.93 2kwp h SER 29 Ca 0.32 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 2kwp h SER 29 Cb 0.08 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2kwp h SER 29 CO -0.14 0.57 0.04 0.00 -0.53 0.00 0.00 176.83 176.77 2kwp h ALA 30 N 1.23 0.27 -0.43 6.23 0.00 -0.49 -0.06 119.26 126.01 2kwp h ALA 30 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2kwp h ALA 30 Cb -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2kwp h ALA 30 CO -0.05 -0.08 0.22 -0.07 0.00 0.00 0.00 179.25 179.27 2kwp h LEU 31 N 0.14 0.55 0.24 0.00 3.38 -0.72 -0.90 115.31 118.00 2kwp h LEU 31 Ca 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2kwp h LEU 31 Cb 0.28 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2kwp h LEU 31 CO 0.00 0.50 -0.12 0.00 0.09 0.00 0.00 178.44 178.92 2kwp h ALA 32 N 1.07 -0.33 -0.77 1.53 0.00 -0.46 1.34 119.26 121.64 2kwp h ALA 32 Ca 0.15 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2kwp h ALA 32 Cb 0.09 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 2kwp h ALA 32 CO -0.02 -0.66 0.39 1.15 0.00 0.00 0.00 179.25 180.11 2kwp h THR 33 N -0.37 0.81 -0.07 0.00 2.02 -0.85 -0.73 112.91 113.71 2kwp h THR 33 Ca -0.03 -0.22 -0.19 0.00 0.77 0.00 0.00 66.41 66.73 2kwp h THR 33 Cb 0.28 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2kwp h THR 33 CO 0.05 0.12 -0.71 0.00 0.37 0.00 0.00 175.52 175.35 2kwp h ALA 34 N 1.48 0.19 -0.62 6.16 0.00 -0.76 -3.15 119.26 122.55 2kwp h ALA 34 Ca 0.40 -0.59 0.11 0.00 0.00 0.00 0.00 54.91 54.83 2kwp h ALA 34 Cb 0.46 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 2kwp h ALA 34 CO -0.30 0.52 0.17 1.15 0.00 0.00 0.00 179.25 180.79 2kwp h THR 35 N 0.25 0.66 0.00 0.00 2.02 0.27 0.43 112.91 116.54 2kwp h THR 35 Ca -0.07 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2kwp h THR 35 Cb 1.37 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2kwp h THR 35 CO 0.14 0.06 -0.05 0.11 0.37 0.00 0.00 175.52 176.15 2kwp h LYS 36 N 0.30 0.00 -0.67 6.66 1.57 -1.19 -1.60 116.57 121.64 2kwp h LYS 36 Ca 0.33 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.15 2kwp h LYS 36 Cb 0.48 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 2kwp h LYS 36 CO -0.39 0.05 0.44 0.87 -0.57 0.00 0.00 179.45 179.86 2kwp h LYS 37 N 0.00 0.75 -0.77 3.15 1.57 -0.09 0.12 116.57 121.31 2kwp h LYS 37 Ca -0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2kwp h LYS 37 Cb 0.12 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 2kwp h LYS 37 CO 0.01 0.50 0.39 -0.22 -0.57 0.00 0.00 179.45 179.56 2kwp h LYS 38 N 0.78 1.09 -0.09 3.15 3.64 -1.23 -2.68 116.57 121.23 2kwp h LYS 38 Ca 0.27 -0.15 -0.23 0.00 -1.27 0.00 0.00 60.65 59.28 2kwp h LYS 38 Cb 0.12 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2kwp h LYS 38 CO -0.08 0.83 -0.84 1.88 -2.27 0.00 0.00 179.45 178.96 2kwp h TYR 39 N 1.07 0.92 -0.50 1.91 0.05 -1.33 -3.46 116.97 115.63 2kwp h TYR 39 Ca 0.27 -0.43 -0.21 0.00 0.05 0.00 0.00 58.73 58.40 2kwp h TYR 39 Cb 0.08 -0.13 -0.08 0.00 1.01 0.00 0.00 36.73 37.61 2kwp h TYR 39 CO 0.01 1.25 -0.19 0.39 -1.05 0.00 0.00 178.16 178.56 2kwp n GLU 40 N -3.88 -1.55 -0.71 4.88 1.02 0.31 -4.80 120.64 115.92 2kwp n GLU 40 Ca -0.07 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 2kwp n GLU 40 Cb 0.78 -5.18 0.24 0.00 -0.02 0.00 0.00 31.44 27.26 2kwp n GLU 40 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2kwp n GLN 41 N -1.05 2.67 -3.95 3.49 7.27 -1.26 -4.95 117.38 119.59 2kwp n GLN 41 Ca -0.10 -3.01 -0.31 0.00 0.07 0.00 0.00 57.00 53.64 2kwp n GLN 41 Cb 0.55 -1.92 -0.01 0.00 2.41 0.00 0.00 30.24 31.27 2kwp n GLN 41 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2kwp n GLU 42 N -0.69 -1.99 -3.94 3.69 1.02 -1.26 -4.74 120.64 112.73 2kwp n GLU 42 Ca 0.31 0.32 -0.32 0.00 -0.02 0.00 0.00 57.16 57.45 2kwp n GLU 42 Cb 1.07 -4.00 -0.05 0.00 -0.02 0.00 0.00 31.44 28.45 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 -3.83 5.27 -0.09 -3.67 -4.36 -1.26 -3.71 121.20 109.55 2kwp s ILE 43 Ca 0.19 -0.33 -0.30 0.00 -0.26 0.00 0.00 60.65 59.96 2kwp s ILE 43 Cb -0.08 -3.51 -0.02 0.00 1.25 0.00 0.00 42.46 40.10 2kwp s ILE 43 CO 0.91 0.24 1.05 -1.81 0.24 0.00 0.00 174.94 175.56 2kwp s ASP 44 N -2.18 7.21 -0.03 4.36 1.01 -1.14 -4.80 116.67 121.10 2kwp s ASP 44 Ca 0.30 1.60 0.05 0.00 0.71 0.00 0.00 52.55 55.21 2kwp s ASP 44 Cb -0.13 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.24 2kwp s ASP 44 CO 0.22 -0.47 -0.17 -0.69 0.21 0.00 0.00 175.17 174.28 2kwp s VAL 45 N 1.99 1.37 -0.05 -1.27 1.01 -1.26 -1.97 120.40 120.22 2kwp s VAL 45 Ca 0.50 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.84 2kwp s VAL 45 Cb -0.20 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2kwp s VAL 45 CO 0.19 0.39 -0.24 -0.60 0.00 0.00 0.00 175.10 174.84 2kwp s ARG 46 N -0.15 2.37 -0.03 2.72 3.52 0.46 -4.77 118.95 123.06 2kwp s ARG 46 Ca 0.01 -0.88 0.05 0.00 -0.13 0.00 0.00 55.73 54.78 2kwp s ARG 46 Cb -0.09 -2.06 -0.01 0.00 -1.56 0.00 0.00 34.95 31.23 2kwp s ARG 46 CO 0.01 0.40 -0.18 0.14 -0.81 0.00 0.00 175.30 174.86 2kwp s VAL 47 N -0.24 1.49 -0.07 7.11 -7.23 -1.26 0.13 120.40 120.33 2kwp s VAL 47 Ca -0.01 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 2kwp s VAL 47 Cb -0.13 -1.26 -0.02 0.00 0.56 0.00 0.00 36.38 35.53 2kwp s VAL 47 CO 0.03 0.42 -0.15 -1.10 -0.31 0.00 0.00 175.10 173.99 2kwp s GLN 48 N -0.13 2.74 0.03 4.82 -0.21 -0.65 -4.79 119.66 121.46 2kwp s GLN 48 Ca -0.00 -0.72 0.03 0.00 0.02 0.00 0.00 55.36 54.69 2kwp s GLN 48 Cb -0.10 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 2kwp s GLN 48 CO 0.01 0.48 -0.03 0.42 -2.12 0.00 0.00 175.29 174.06 2kwp s ILE 49 N -0.37 3.91 -0.32 1.08 1.01 -1.26 -0.36 121.20 124.89 2kwp s ILE 49 Ca 0.04 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 2kwp s ILE 49 Cb -0.12 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.59 2kwp s ILE 49 CO 0.02 0.30 0.12 -1.81 0.00 0.00 0.00 174.94 173.57 2kwp s ASP 50 N -1.76 5.33 0.04 3.58 1.01 0.64 -4.90 116.67 120.62 2kwp s ASP 50 Ca 0.21 -0.83 -0.26 0.00 0.71 0.00 0.00 52.55 52.38 2kwp s ASP 50 Cb -0.11 -1.92 -0.17 0.00 1.01 0.00 0.00 42.92 41.73 2kwp s ASP 50 CO 0.12 -0.26 1.49 -0.09 0.21 0.00 0.00 175.17 176.65 2kwp h ARG 51 N 8.28 -0.26 0.38 8.23 2.43 -1.95 2.31 114.38 133.80 2kwp h ARG 51 Ca -0.29 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 2kwp h ARG 51 Cb 1.12 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2kwp h ARG 51 CO 0.62 -0.03 -0.38 0.87 -1.51 0.00 0.00 179.97 179.53 2kwp h LYS 52 N -0.45 -0.73 -0.74 0.20 1.79 -1.97 -2.70 116.57 111.97 2kwp h LYS 52 Ca -0.03 0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 2kwp h LYS 52 Cb 0.35 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 2kwp h LYS 52 CO 0.05 -0.49 0.22 0.77 -1.08 0.00 0.00 179.45 178.92 2kwp h SER 53 N -0.76 1.08 -0.34 0.86 0.02 -1.98 -3.47 113.55 108.95 2kwp h SER 53 Ca -0.05 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2kwp h SER 53 Cb 0.66 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2kwp h SER 53 CO -0.05 1.01 0.00 0.61 -1.14 0.00 0.00 176.83 177.26 2kwp n GLY 54 N -0.74 0.93 3.10 -3.77 0.00 0.77 -3.66 105.19 101.81 2kwp n GLY 54 Ca 0.06 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.68 0.13 0.02 1.61 2.15 -0.84 0.18 116.67 117.24 2kwp s ASP 55 Ca 0.00 -0.41 0.05 0.00 0.43 0.00 0.00 52.55 52.61 2kwp s ASP 55 Cb 0.00 0.20 -0.02 0.00 -0.30 0.00 0.00 42.92 42.81 2kwp s ASP 55 CO 0.00 -0.43 -0.15 0.72 -0.17 0.00 0.00 175.17 175.14 2kwp s PHE 56 N -2.03 1.30 0.19 -5.34 -0.12 -1.26 0.23 117.98 110.96 2kwp s PHE 56 Ca -0.10 -0.30 0.06 0.00 -0.05 0.00 0.00 56.93 56.54 2kwp s PHE 56 Cb -0.05 -0.80 -0.04 0.00 -0.63 0.00 0.00 43.02 41.51 2kwp s PHE 56 CO -0.02 0.01 0.15 -0.51 -0.05 0.00 0.00 175.22 174.81 2kwp s ASP 57 N -0.77 5.50 -0.13 1.98 1.01 0.52 -4.84 116.67 119.93 2kwp s ASP 57 Ca 0.04 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.08 2kwp s ASP 57 Cb -0.07 -1.42 -0.03 0.00 1.01 0.00 0.00 42.92 42.41 2kwp s ASP 57 CO 0.00 0.04 0.02 -0.89 0.21 0.00 0.00 175.17 174.55 2kwp s THR 58 N -1.87 4.43 0.09 -1.27 2.01 -1.26 -1.64 115.64 116.13 2kwp s THR 58 Ca 0.31 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.17 2kwp s THR 58 Cb -0.09 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 2kwp s THR 58 CO 0.24 0.54 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.25 2kwp s PHE 59 N -0.26 1.02 0.07 4.92 0.08 0.35 -1.93 117.98 122.23 2kwp s PHE 59 Ca 0.07 -0.63 0.04 0.00 0.12 0.00 0.00 56.93 56.52 2kwp s PHE 59 Cb -0.12 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 2kwp s PHE 59 CO 0.02 -0.01 0.01 0.50 -0.10 0.00 0.00 175.22 175.64 2kwp s ARG 60 N -2.58 2.65 0.04 0.44 3.52 0.40 0.17 118.95 123.58 2kwp s ARG 60 Ca 0.03 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.84 2kwp s ARG 60 Cb -0.04 -2.59 -0.02 0.00 -1.56 0.00 0.00 34.95 30.73 2kwp s ARG 60 CO 0.00 0.56 0.02 -0.98 -0.81 0.00 0.00 175.30 174.09 2kwp s ARG 61 N -2.14 0.53 0.04 5.12 1.70 -0.83 0.25 118.95 123.62 2kwp s ARG 61 Ca 0.25 -0.90 -0.08 0.00 -0.47 0.00 0.00 55.73 54.53 2kwp s ARG 61 Cb -0.12 0.19 -0.00 0.00 -0.57 0.00 0.00 34.95 34.46 2kwp s ARG 61 CO 0.17 -0.11 0.16 -1.58 -1.08 0.00 0.00 175.30 172.85 2kwp s TRP 62 N -2.85 0.11 -0.14 5.89 0.51 -0.77 -4.29 118.94 117.39 2kwp s TRP 62 Ca -0.03 -0.35 -0.15 0.00 -2.12 0.00 0.00 56.10 53.45 2kwp s TRP 62 Cb 0.00 -0.07 -0.05 0.00 -0.81 0.00 0.00 33.47 32.55 2kwp s TRP 62 CO -0.06 -0.40 0.35 -1.17 -0.51 0.00 0.00 176.95 175.15 2kwp s LEU 63 N -2.08 4.26 -0.03 2.99 1.98 -1.25 0.58 118.68 125.13 2kwp s LEU 63 Ca -0.05 0.61 -0.30 0.00 -2.89 0.00 0.00 54.13 51.50 2kwp s LEU 63 Cb -0.01 -2.46 -0.07 0.00 0.66 0.00 0.00 46.19 44.31 2kwp s LEU 63 CO -0.04 0.08 1.80 -0.69 -1.89 0.00 0.00 176.35 175.61 2kwp s VAL 64 N 0.43 3.35 0.04 1.68 1.01 -0.01 -0.73 120.40 126.17 2kwp s VAL 64 Ca 0.19 0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.66 2kwp s VAL 64 Cb -0.14 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2kwp s VAL 64 CO 0.06 -0.05 -0.20 -0.69 0.00 0.00 0.00 175.10 174.22 2kwp s VAL 65 N 4.42 1.57 -0.28 2.92 1.01 0.67 -3.04 120.40 127.68 2kwp s VAL 65 Ca 0.80 -1.14 0.27 0.00 0.00 0.00 0.00 61.98 61.91 2kwp s VAL 65 Cb -0.36 -1.37 0.29 0.00 0.00 0.00 0.00 36.38 34.94 2kwp s VAL 65 CO 0.34 0.19 1.80 -0.78 0.00 0.00 0.00 175.10 176.66 2kwp h ASP 66 N 4.95 0.00 -0.27 3.32 3.58 -1.92 2.07 116.42 128.15 2kwp h ASP 66 Ca -0.41 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 56.77 2kwp h ASP 66 Cb 1.16 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 42.02 2kwp h ASP 66 CO 0.44 0.00 -0.54 1.21 -2.88 0.00 0.00 179.24 177.47 2kwp n GLU 67 N -2.49 1.06 -1.44 0.28 2.13 -1.26 -4.65 120.64 114.26 2kwp n GLU 67 Ca 0.01 -2.13 -0.60 0.00 0.66 0.00 0.00 57.16 55.11 2kwp n GLU 67 Cb 0.24 -0.92 -0.10 0.00 0.27 0.00 0.00 31.44 30.93 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 0.14 0.00 0.40 6.31 0.31 -1.25 -4.76 118.33 119.48 2kwp n VAL 68 Ca 0.07 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.52 2kwp n VAL 68 Cb 0.73 -0.46 0.28 0.00 -0.91 0.00 0.00 33.84 33.48 2kwp n VAL 68 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2kwp h THR 69 N 5.32 0.00 -2.35 2.52 1.35 -1.97 -3.42 112.91 114.36 2kwp h THR 69 Ca -0.29 -0.76 -0.28 0.00 -0.55 0.00 0.00 66.41 64.53 2kwp h THR 69 Cb 1.28 1.76 -0.34 0.00 -1.73 0.00 0.00 68.15 69.11 2kwp h THR 69 CO 0.94 0.00 -0.60 -1.10 -0.25 0.00 0.00 175.52 174.52 2kwp s GLN 70 N -3.17 0.24 0.00 4.72 -0.21 -1.26 -5.00 119.66 114.97 2kwp s GLN 70 Ca 0.08 0.24 0.13 0.00 0.02 0.00 0.00 55.36 55.84 2kwp s GLN 70 Cb 0.08 -1.01 0.79 0.00 1.00 0.00 0.00 33.01 33.87 2kwp s GLN 70 CO 0.63 -0.69 1.23 -0.35 -2.12 0.00 0.00 175.29 173.99 2kwp n PRO 71 N 5.33 0.55 0.01 2.91 -0.04 -1.25 -2.03 135.00 140.48 2kwp n PRO 71 Ca -0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.23 2kwp n PRO 71 Cb 0.49 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.57 -0.08 0.52 1.35 -1.85 -3.37 112.91 111.05 2kwp h THR 72 Ca 0.00 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 2kwp h THR 72 Cb 0.00 3.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 2kwp h THR 72 CO 0.00 0.68 0.00 0.29 -0.25 0.00 0.00 175.52 176.24 2kwp n LYS 73 N -4.27 2.45 -3.79 4.72 5.02 -1.21 -2.86 118.16 118.21 2kwp n LYS 73 Ca -0.14 -2.06 -0.13 0.00 -2.02 0.00 0.00 58.31 53.97 2kwp n LYS 73 Cb 0.72 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 34.34 2kwp n LYS 73 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2kwp s GLU 74 N -1.78 0.53 -0.12 1.97 2.02 -0.86 -3.86 118.70 116.61 2kwp s GLU 74 Ca 0.18 -0.10 0.02 0.00 0.02 0.00 0.00 54.97 55.09 2kwp s GLU 74 Cb 0.14 0.24 -0.00 0.00 0.10 0.00 0.00 34.13 34.61 2kwp s GLU 74 CO 0.04 -0.13 -0.19 -1.50 0.02 0.00 0.00 175.26 173.50 2kwp s ILE 75 N -0.97 2.43 0.90 -1.63 2.07 0.09 -3.89 121.20 120.20 2kwp s ILE 75 Ca -0.10 -0.88 -0.12 0.00 -1.41 0.00 0.00 60.65 58.14 2kwp s ILE 75 Cb -0.05 -1.98 0.09 0.00 0.13 0.00 0.00 42.46 40.65 2kwp s ILE 75 CO 0.03 0.54 0.91 0.35 -1.91 0.00 0.00 174.94 174.86 2kwp n THR 76 N 3.67 0.51 -0.08 4.00 -2.24 -1.26 -0.23 114.28 118.65 2kwp n THR 76 Ca -0.19 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2kwp n THR 76 Cb 0.53 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 2kwp n THR 76 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2kwp h LEU 77 N -1.52 0.38 -0.39 3.22 5.85 0.31 -1.11 115.31 122.05 2kwp h LEU 77 Ca -0.44 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.05 2kwp h LEU 77 Cb 1.28 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 2kwp h LEU 77 CO 0.40 0.55 0.19 -0.08 -0.34 0.00 0.00 178.44 179.16 2kwp h GLU 78 N 0.21 0.38 -0.86 1.25 4.81 -1.91 -1.37 114.58 117.08 2kwp h GLU 78 Ca 0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2kwp h GLU 78 Cb 0.33 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 2kwp h GLU 78 CO 0.00 0.25 0.52 0.00 -0.73 0.00 0.00 179.01 179.05 2kwp h ALA 79 N 1.20 1.29 -0.29 2.92 0.00 -1.88 -1.29 119.26 121.21 2kwp h ALA 79 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2kwp h ALA 79 Cb 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2kwp h ALA 79 CO -0.12 0.61 0.04 0.00 0.00 0.00 0.00 179.25 179.79 2kwp h ALA 80 N 1.38 1.54 -0.31 0.00 0.00 -0.28 -1.92 119.26 119.67 2kwp h ALA 80 Ca 0.31 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 2kwp h ALA 80 Cb -0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2kwp h ALA 80 CO -0.06 0.34 -0.49 0.00 0.00 0.00 0.00 179.25 179.04 2kwp h ARG 81 N 0.42 0.87 -0.76 0.00 3.08 -0.22 0.17 114.38 117.93 2kwp h ARG 81 Ca 0.10 -0.51 -0.05 0.00 0.07 0.00 0.00 59.98 59.58 2kwp h ARG 81 Cb 0.21 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 2kwp h ARG 81 CO 0.00 1.15 0.26 1.88 -1.07 0.00 0.00 179.97 182.19 2kwp h TYR 82 N 0.68 1.20 0.05 3.04 0.05 -0.79 -1.68 116.97 119.52 2kwp h TYR 82 Ca 0.03 -0.11 -0.23 0.00 0.05 0.00 0.00 58.73 58.47 2kwp h TYR 82 Cb 1.09 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 2kwp h TYR 82 CO 0.07 0.93 -1.03 1.49 -1.05 0.00 0.00 178.16 178.56 2kwp h GLU 83 N 1.12 0.22 -0.53 4.88 4.81 -1.28 -3.44 114.58 120.36 2kwp h GLU 83 Ca 0.25 -0.30 0.12 0.00 -0.13 0.00 0.00 59.36 59.30 2kwp h GLU 83 Cb 0.28 0.10 -0.19 0.00 0.63 0.00 0.00 28.75 29.57 2kwp h GLU 83 CO -0.01 1.08 -0.18 0.34 -0.73 0.00 0.00 179.01 179.51 2kwp s ASP 84 N -7.00 -0.86 0.65 1.04 -1.08 0.58 -4.99 116.67 105.02 2kwp s ASP 84 Ca -0.03 -0.03 0.26 0.00 -0.52 0.00 0.00 52.55 52.22 2kwp s ASP 84 Cb 0.09 1.42 1.36 0.00 -1.46 0.00 0.00 42.92 44.33 2kwp s ASP 84 CO 0.85 -0.14 1.78 1.05 0.52 0.00 0.00 175.17 179.23 2kwp h GLU 85 N 7.15 0.00 0.00 4.34 4.11 -1.43 0.68 114.58 129.43 2kwp h GLU 85 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2kwp h GLU 85 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kwp h GLU 85 CO -0.00 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.95 2kwp n SER 86 N -3.04 0.16 -4.83 3.06 3.41 -1.26 -4.61 113.62 106.51 2kwp n SER 86 Ca 0.02 0.56 -0.37 0.00 -0.26 0.00 0.00 58.87 58.81 2kwp n SER 86 Cb 0.57 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.87 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 -3.39 4.43 0.00 1.04 1.43 0.24 -5.07 118.68 117.36 2kwp s LEU 87 Ca 0.03 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2kwp s LEU 87 Cb 0.05 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.22 2kwp s LEU 87 CO 0.17 0.20 0.00 -0.46 0.23 0.00 0.00 176.35 176.48 2kwp n ASN 88 N 1.29 0.43 -4.70 2.29 6.94 -1.26 -4.63 115.26 115.63 2kwp n ASN 88 Ca -0.08 -0.73 -0.42 0.00 -0.02 0.00 0.00 54.58 53.32 2kwp n ASN 88 Cb 0.51 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.91 2kwp n ASN 88 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kwp s LEU 89 N 0.00 4.32 0.00 -4.53 2.01 -1.26 -2.36 118.68 116.86 2kwp s LEU 89 Ca 0.00 2.04 0.00 0.00 0.01 0.00 0.00 54.13 56.18 2kwp s LEU 89 Cb 0.00 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 42.63 2kwp s LEU 89 CO 0.00 -0.62 0.00 0.61 1.01 0.00 0.00 176.35 177.35 2kwp n GLY 90 N 3.47 0.65 3.89 -3.19 0.00 -1.17 -5.03 105.19 103.82 2kwp n GLY 90 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2kwp n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kwp s ASP 91 N -1.92 6.44 -0.04 1.61 1.01 -1.00 -4.85 116.67 117.92 2kwp s ASP 91 Ca 0.00 0.90 -0.01 0.00 0.71 0.00 0.00 52.55 54.15 2kwp s ASP 91 Cb 0.00 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2kwp s ASP 91 CO 0.00 -0.34 0.05 -0.31 0.21 0.00 0.00 175.17 174.78 2kwp s TYR 92 N -2.31 3.24 0.19 4.23 2.02 -1.26 -0.83 117.35 122.63 2kwp s TYR 92 Ca 0.47 0.21 0.05 0.00 -0.37 0.00 0.00 57.07 57.43 2kwp s TYR 92 Cb -0.10 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 2kwp s TYR 92 CO 0.33 0.53 0.21 0.54 -1.57 0.00 0.00 175.55 175.59 2kwp s VAL 93 N -1.06 4.76 0.09 0.71 0.11 0.20 -4.91 120.40 120.29 2kwp s VAL 93 Ca 0.19 -1.06 0.05 0.00 -2.93 0.00 0.00 61.98 58.22 2kwp s VAL 93 Cb -0.12 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.21 2kwp s VAL 93 CO 0.09 -0.19 -0.12 -0.70 -3.33 0.00 0.00 175.10 170.84 2kwp s GLU 94 N -3.41 0.88 0.00 1.54 2.12 -1.26 -1.85 118.70 116.72 2kwp s GLU 94 Ca 0.33 -1.10 -0.13 0.00 0.36 0.00 0.00 54.97 54.43 2kwp s GLU 94 Cb -0.10 -0.73 0.02 0.00 0.26 0.00 0.00 34.13 33.58 2kwp s GLU 94 CO 0.26 0.14 0.27 0.34 -0.54 0.00 0.00 175.26 175.72 2kwp s ASP 95 N -2.19 -0.12 -0.18 -1.70 2.15 0.68 -4.90 116.67 110.41 2kwp s ASP 95 Ca 0.03 -0.06 -0.16 0.00 0.43 0.00 0.00 52.55 52.80 2kwp s ASP 95 Cb -0.06 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.82 2kwp s ASP 95 CO 0.02 -0.48 0.40 -1.58 -0.17 0.00 0.00 175.17 173.36 2kwp s GLN 96 N -1.68 4.22 0.14 4.34 0.74 -1.26 0.15 119.66 126.31 2kwp s GLN 96 Ca -0.11 0.24 0.05 0.00 0.05 0.00 0.00 55.36 55.58 2kwp s GLN 96 Cb -0.04 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 2kwp s GLN 96 CO 0.02 0.04 -0.12 0.96 -0.55 0.00 0.00 175.29 175.64 2kwp s ILE 97 N 1.07 1.24 0.21 -2.34 -4.36 -0.81 -4.84 121.20 111.36 2kwp s ILE 97 Ca 0.20 -1.93 -0.30 0.00 -0.26 0.00 0.00 60.65 58.36 2kwp s ILE 97 Cb -0.15 -1.72 -0.16 0.00 1.25 0.00 0.00 42.46 41.68 2kwp s ILE 97 CO 0.08 -0.62 0.87 -0.62 0.24 0.00 0.00 174.94 174.88 2kwp n GLU 98 N 0.07 0.72 -2.11 0.37 1.02 -1.26 -4.23 120.64 115.22 2kwp n GLU 98 Ca -0.12 0.26 -0.28 0.00 -0.02 0.00 0.00 57.16 56.99 2kwp n GLU 98 Cb 0.59 -1.53 0.05 0.00 -0.02 0.00 0.00 31.44 30.53 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kwp s SER 99 N -0.55 5.32 -0.09 1.62 1.04 -1.26 -4.63 113.70 115.15 2kwp s SER 99 Ca 0.66 0.86 -0.01 0.00 0.48 0.00 0.00 55.95 57.94 2kwp s SER 99 Cb -0.86 -1.67 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2kwp s SER 99 CO 0.57 -1.34 -0.02 0.54 0.98 0.00 0.00 173.24 173.97 2kwp s VAL 100 N -3.24 4.12 0.30 5.02 0.11 -1.26 -4.96 120.40 120.49 2kwp s VAL 100 Ca 0.57 -0.32 -0.29 0.00 -2.93 0.00 0.00 61.98 59.01 2kwp s VAL 100 Cb -0.11 -2.72 -0.11 0.00 -1.53 0.00 0.00 36.38 31.91 2kwp s VAL 100 CO 0.48 0.60 1.46 -0.89 -3.33 0.00 0.00 175.10 173.42 2kwp s THR 101 N -0.78 2.43 0.00 5.04 2.01 -1.26 -4.95 115.64 118.13 2kwp s THR 101 Ca 0.12 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.50 2kwp s THR 101 Cb -0.11 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2kwp s THR 101 CO 0.02 0.07 0.59 0.33 -0.69 0.00 0.00 174.62 174.94 2kwp n PHE 102 N 1.68 0.00 0.00 4.92 7.35 -1.26 -4.99 117.46 125.16 2kwp n PHE 102 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 2kwp n PHE 102 Cb 0.40 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 40.14 2kwp n PHE 102 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2kwp n ASP 103 N -0.99 0.00 -4.27 -2.13 2.03 -1.26 -5.07 116.55 104.86 2kwp n ASP 103 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 2kwp n ASP 103 Cb 0.00 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.50 2kwp n ASP 103 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kwp n ARG 104 N -0.05 -0.25 -0.02 -0.67 0.63 -1.26 -4.68 116.66 110.36 2kwp n ARG 104 Ca 0.00 -0.05 0.23 0.00 -0.92 0.00 0.00 57.85 57.11 2kwp n ARG 104 Cb 0.00 -1.56 0.64 0.00 0.45 0.00 0.00 32.46 31.99 2kwp n ARG 104 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 2kwp h ILE 105 N -1.40 0.22 -3.99 5.15 6.09 -2.05 -3.39 117.51 118.14 2kwp h ILE 105 Ca -0.44 0.00 -0.49 0.00 -1.37 0.00 0.00 64.86 62.56 2kwp h ILE 105 Cb 1.29 0.41 0.06 0.00 0.47 0.00 0.00 36.82 39.06 2kwp h ILE 105 CO 0.31 0.00 0.27 0.42 -3.07 0.00 0.00 178.15 176.08 2kwp s THR 106 N -4.54 4.00 0.26 2.19 -4.23 -1.26 -5.09 115.64 106.97 2kwp s THR 106 Ca -0.04 0.32 0.09 0.00 -1.18 0.00 0.00 61.69 60.88 2kwp s THR 106 Cb 0.15 -3.60 -0.05 0.00 1.34 0.00 0.00 72.50 70.34 2kwp s THR 106 CO 0.51 -0.69 -0.15 0.42 -0.54 0.00 0.00 174.62 174.17 2kwp s THR 107 N -3.08 2.07 0.00 3.99 -4.23 -1.26 -4.91 115.64 108.22 2kwp s THR 107 Ca 0.54 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 2kwp s THR 107 Cb -0.11 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.47 2kwp s THR 107 CO 0.48 -0.44 0.00 1.67 -0.54 0.00 0.00 174.62 175.80 2kwp n GLN 108 N -0.55 0.00 -0.03 3.99 7.27 -1.26 -4.95 117.38 121.86 2kwp n GLN 108 Ca -0.06 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.01 2kwp n GLN 108 Cb 0.61 0.00 0.31 0.00 2.41 0.00 0.00 30.24 33.57 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 1.18 -0.73 1.69 2.02 -2.00 -2.11 112.91 112.96 2kwp h THR 109 Ca 0.00 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2kwp h THR 109 Cb 0.00 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 2kwp h THR 109 CO 0.00 0.23 0.40 0.00 0.37 0.00 0.00 175.52 176.52 2kwp h ALA 110 N 1.54 1.33 0.00 6.16 0.00 -1.97 -1.58 119.26 124.74 2kwp h ALA 110 Ca 0.13 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2kwp h ALA 110 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2kwp h ALA 110 CO -0.00 0.55 -0.48 0.87 0.00 0.00 0.00 179.25 180.18 2kwp h LYS 111 N 1.01 0.00 -0.55 0.00 1.57 -1.77 -2.72 116.57 114.11 2kwp h LYS 111 Ca 0.26 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2kwp h LYS 111 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2kwp h LYS 111 CO -0.04 0.48 0.14 0.37 -0.57 0.00 0.00 179.45 179.84 2kwp h GLN 112 N 0.00 0.87 -0.21 3.15 4.15 -0.98 -0.41 115.11 121.67 2kwp h GLN 112 Ca -0.00 -0.20 -0.11 0.00 0.77 0.00 0.00 58.65 59.10 2kwp h GLN 112 Cb 0.86 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 2kwp h GLN 112 CO 0.06 0.81 -0.35 -0.24 -1.93 0.00 0.00 178.83 177.18 2kwp h VAL 113 N 0.77 1.29 -0.35 2.39 3.04 -1.34 -1.43 116.25 120.62 2kwp h VAL 113 Ca 0.17 -1.45 -0.16 0.00 -1.01 0.00 0.00 66.70 64.26 2kwp h VAL 113 Cb 0.32 1.51 -0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2kwp h VAL 113 CO -0.00 0.45 -0.39 0.40 -1.01 0.00 0.00 177.57 177.02 2kwp h ILE 114 N 0.39 1.28 -0.28 3.17 2.04 -1.17 -1.96 117.51 120.99 2kwp h ILE 114 Ca 0.04 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.26 2kwp h ILE 114 Cb 0.80 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2kwp h ILE 114 CO 0.06 0.52 -0.13 0.58 0.00 0.00 0.00 178.15 179.18 2kwp h VAL 115 N 0.67 1.30 -0.82 1.67 2.07 -0.94 -1.43 116.25 118.77 2kwp h VAL 115 Ca 0.05 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 2kwp h VAL 115 Cb 0.99 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 2kwp h VAL 115 CO 0.10 0.38 0.45 1.56 0.02 0.00 0.00 177.57 180.07 2kwp h GLN 116 N 0.32 1.14 -0.31 1.57 4.20 -1.25 0.38 115.11 121.15 2kwp h GLN 116 Ca 0.06 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 2kwp h GLN 116 Cb 0.64 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2kwp h GLN 116 CO 0.04 0.84 -0.14 -0.22 -0.67 0.00 0.00 178.83 178.68 2kwp h LYS 117 N 1.15 0.64 -0.27 1.46 3.64 -1.22 -2.50 116.57 119.47 2kwp h LYS 117 Ca 0.29 -0.28 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 2kwp h LYS 117 Cb 0.03 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2kwp h LYS 117 CO -0.05 0.86 -0.44 0.28 -2.27 0.00 0.00 179.45 177.83 2kwp h VAL 118 N 0.40 1.30 -0.64 2.00 2.07 -0.87 -2.95 116.25 117.56 2kwp h VAL 118 Ca 0.07 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2kwp h VAL 118 Cb 0.66 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2kwp h VAL 118 CO 0.04 0.52 0.40 0.03 0.02 0.00 0.00 177.57 178.59 2kwp h ARG 119 N 0.55 0.85 -0.58 1.57 3.08 -0.17 -1.44 114.38 118.23 2kwp h ARG 119 Ca 0.04 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2kwp h ARG 119 Cb 0.99 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 2kwp h ARG 119 CO 0.09 0.58 0.36 0.93 -1.07 0.00 0.00 179.97 180.86 2kwp h GLU 120 N 0.87 0.77 -0.25 0.04 5.08 -1.26 -1.39 114.58 118.44 2kwp h GLU 120 Ca 0.23 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2kwp h GLU 120 Cb -0.07 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2kwp h GLU 120 CO -0.05 0.53 -0.21 0.00 -1.00 0.00 0.00 179.01 178.29 2kwp h ALA 121 N 1.61 1.17 -0.25 3.43 0.00 -1.28 -2.52 119.26 121.42 2kwp h ALA 121 Ca 0.21 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2kwp h ALA 121 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kwp h ALA 121 CO -0.04 0.53 -0.07 0.93 0.00 0.00 0.00 179.25 180.60 2kwp h GLU 122 N 0.42 0.39 -0.97 0.00 5.08 -1.07 -2.41 114.58 116.02 2kwp h GLU 122 Ca 0.07 -0.09 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 2kwp h GLU 122 Cb 0.60 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 2kwp h GLU 122 CO 0.04 0.48 0.61 -0.09 -1.00 0.00 0.00 179.01 179.05 2kwp h ARG 123 N 0.37 0.87 -2.67 2.33 2.43 -1.22 -3.33 114.38 113.16 2kwp h ARG 123 Ca 0.08 -0.05 -0.59 0.00 -0.81 0.00 0.00 59.98 58.61 2kwp h ARG 123 Cb 0.36 -0.20 -0.39 0.00 -0.42 0.00 0.00 29.97 29.32 2kwp h ARG 123 CO 0.02 0.57 -0.82 0.00 -1.51 0.00 0.00 179.97 178.23 2kwp s ALA 124 N -5.87 1.19 0.37 2.80 0.00 -0.91 -4.97 121.76 114.36 2kwp s ALA 124 Ca -0.11 -2.01 0.04 0.00 0.00 0.00 0.00 51.96 49.88 2kwp s ALA 124 Cb 0.22 -1.66 0.71 0.00 0.00 0.00 0.00 23.12 22.39 2kwp s ALA 124 CO 0.80 -2.10 2.01 0.52 0.00 0.00 0.00 175.76 176.99 2kwp h MET 125 N 6.96 0.75 0.00 0.00 2.86 -1.66 -3.41 114.93 120.43 2kwp h MET 125 Ca 0.04 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kwp h MET 125 Cb 0.96 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2kwp h MET 125 CO 0.31 0.50 0.00 1.47 1.06 0.00 0.00 176.91 180.25 2kwp n LEU 126 N -4.46 0.00 -3.40 1.22 -0.00 -1.26 -5.08 117.00 104.03 2kwp n LEU 126 Ca 0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.82 2kwp n LEU 126 Cb 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.44 2kwp n LEU 126 CO 0.35 0.00 -0.03 0.55 -0.00 0.00 0.00 177.39 178.26 2kwp n VAL 127 N 0.00 1.49 -2.27 1.47 3.14 -1.26 -5.09 118.33 115.81 2kwp n VAL 127 Ca 0.00 -4.86 -0.37 0.00 -2.96 0.00 0.00 64.34 56.15 2kwp n VAL 127 Cb 0.00 -2.06 -0.01 0.00 -1.06 0.00 0.00 33.84 30.71 2kwp n VAL 127 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2kwp s PRO 128 N -2.03 3.79 0.00 1.45 0.04 -1.26 -5.12 135.00 131.87 2kwp s PRO 128 Ca 0.37 1.77 0.04 0.00 0.04 0.00 0.00 61.00 63.22 2kwp s PRO 128 Cb 0.14 -2.43 0.24 0.00 0.04 0.00 0.00 34.50 32.50 2kwp s PRO 128 CO -0.05 -0.52 0.72 0.54 0.04 0.00 0.00 177.00 177.73