#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 6.71 0.38 7.83 0.01 -0.79 -4.87 114.94 124.21 2kwp s ASN 2 Ca 0.00 -2.86 0.06 0.00 -0.71 0.00 0.00 52.86 49.36 2kwp s ASN 2 Cb 0.00 -2.18 0.74 0.00 0.41 0.00 0.00 41.25 40.22 2kwp s ASN 2 CO 0.00 -0.51 1.96 0.50 -1.51 0.00 0.00 177.10 177.54 2kwp h LYS 3 N 7.52 0.48 -0.65 -0.60 3.64 -1.83 -2.31 116.57 122.82 2kwp h LYS 3 Ca 0.11 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2kwp h LYS 3 Cb 1.01 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 2kwp h LYS 3 CO 0.79 0.44 0.43 0.93 -2.27 0.00 0.00 179.45 179.77 2kwp h GLU 4 N 0.48 0.85 -0.37 1.90 5.08 -1.89 -1.84 114.58 118.79 2kwp h GLU 4 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2kwp h GLU 4 Cb 0.17 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2kwp h GLU 4 CO -0.01 0.56 0.23 0.82 -1.00 0.00 0.00 179.01 179.62 2kwp h ILE 5 N 0.88 1.11 -0.83 3.13 2.04 -1.68 0.25 117.51 122.41 2kwp h ILE 5 Ca 0.24 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2kwp h ILE 5 Cb -0.09 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 2kwp h ILE 5 CO -0.06 0.11 0.54 0.25 0.00 0.00 0.00 178.15 179.00 2kwp h LEU 6 N 0.50 0.82 -0.15 1.44 7.12 -1.25 -1.73 115.31 122.05 2kwp h LEU 6 Ca 0.14 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 58.04 2kwp h LEU 6 Cb -0.02 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 39.94 2kwp h LEU 6 CO -0.03 0.53 -0.33 0.00 -0.13 0.00 0.00 178.44 178.48 2kwp h ALA 7 N 1.54 0.24 -0.76 1.25 0.00 -0.61 -2.80 119.26 118.13 2kwp h ALA 7 Ca 0.35 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2kwp h ALA 7 Cb 0.20 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2kwp h ALA 7 CO -0.12 0.29 0.50 0.28 0.00 0.00 0.00 179.25 180.20 2kwp h VAL 8 N 0.11 0.94 -0.23 0.00 2.07 -0.33 0.20 116.25 119.01 2kwp h VAL 8 Ca 0.00 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 2kwp h VAL 8 Cb 0.94 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2kwp h VAL 8 CO 0.07 0.12 -0.44 0.58 0.02 0.00 0.00 177.57 177.93 2kwp h VAL 9 N 0.67 1.30 -0.05 2.57 2.07 -1.25 -2.77 116.25 118.79 2kwp h VAL 9 Ca 0.35 -1.62 -0.14 0.00 0.82 0.00 0.00 66.70 66.11 2kwp h VAL 9 Cb 0.47 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2kwp h VAL 9 CO -0.13 0.51 -0.62 -0.33 0.02 0.00 0.00 177.57 177.02 2kwp h GLU 10 N 0.47 0.17 -0.13 1.57 5.08 -0.80 -2.72 114.58 118.21 2kwp h GLU 10 Ca 0.03 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2kwp h GLU 10 Cb 0.95 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2kwp h GLU 10 CO 0.09 0.73 -0.33 0.00 -1.00 0.00 0.00 179.01 178.50 2kwp h ALA 11 N 1.24 1.21 0.00 3.43 0.00 -0.86 -2.36 119.26 121.92 2kwp h ALA 11 Ca -0.01 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2kwp h ALA 11 Cb 1.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2kwp h ALA 11 CO 0.09 0.53 -0.75 0.28 0.00 0.00 0.00 179.25 179.40 2kwp h VAL 12 N 0.22 1.43 -0.07 0.00 2.07 -1.33 -2.36 116.25 116.22 2kwp h VAL 12 Ca 0.03 -2.65 -0.16 0.00 0.82 0.00 0.00 66.70 64.74 2kwp h VAL 12 Cb 0.69 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2kwp h VAL 12 CO 0.05 0.73 -0.65 0.28 0.02 0.00 0.00 177.57 178.00 2kwp h SER 13 N 0.00 0.32 0.37 0.57 0.02 -1.16 0.23 113.55 113.90 2kwp h SER 13 Ca -0.01 -0.19 -0.27 0.00 -0.84 0.00 0.00 61.79 60.48 2kwp h SER 13 Cb 1.41 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.87 2kwp h SER 13 CO 0.10 0.88 -1.17 0.78 -1.14 0.00 0.00 176.83 176.28 2kwp h ASN 14 N 0.20 0.62 0.19 3.07 -0.26 -1.40 0.74 115.58 118.73 2kwp h ASN 14 Ca -0.01 -0.58 -0.32 0.00 -0.56 0.00 0.00 56.30 54.83 2kwp h ASN 14 Cb 1.18 -0.19 0.04 0.00 -1.06 0.00 0.00 38.32 38.28 2kwp h ASN 14 CO 0.10 1.41 -1.37 -0.33 -1.06 0.00 0.00 177.43 176.19 2kwp h GLU 15 N 0.18 0.59 -0.20 0.81 5.08 -1.40 -3.29 114.58 116.36 2kwp h GLU 15 Ca -0.14 -0.89 0.00 0.00 -1.00 0.00 0.00 59.36 57.33 2kwp h GLU 15 Cb 1.85 0.31 0.00 0.00 0.50 0.00 0.00 28.75 31.41 2kwp h GLU 15 CO 0.21 1.42 0.00 1.63 -1.00 0.00 0.00 179.01 181.26 2kwp n LYS 16 N -3.76 2.38 -1.97 2.33 5.02 0.81 -4.92 118.16 118.04 2kwp n LYS 16 Ca -0.15 -2.04 -0.05 0.00 -2.02 0.00 0.00 58.31 54.04 2kwp n LYS 16 Cb 1.05 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.56 2kwp n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kwp n ALA 17 N 1.35 -0.59 -2.00 7.82 0.00 0.26 -4.89 120.51 122.46 2kwp n ALA 17 Ca 0.17 0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.47 2kwp n ALA 17 Cb 0.59 -0.84 0.04 0.00 0.00 0.00 0.00 19.45 19.24 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 -4.28 3.38 0.28 0.00 1.02 -1.14 -4.99 118.68 112.95 2kwp s LEU 18 Ca 0.00 -0.30 -0.29 0.00 0.02 0.00 0.00 54.13 53.55 2kwp s LEU 18 Cb 0.00 -2.56 -0.10 0.00 0.02 0.00 0.00 46.19 43.56 2kwp s LEU 18 CO 0.00 -1.08 1.22 -2.16 0.02 0.00 0.00 176.35 174.35 2kwp s PRO 19 N -4.63 4.48 0.36 1.29 0.04 -1.26 -4.54 135.00 130.74 2kwp s PRO 19 Ca 0.58 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.67 2kwp s PRO 19 Cb -0.09 -3.15 0.68 0.00 0.04 0.00 0.00 34.50 31.98 2kwp s PRO 19 CO 0.37 -0.04 1.97 0.00 0.04 0.00 0.00 177.00 179.34 2kwp h ARG 20 N 4.00 0.65 0.19 4.56 3.08 -1.96 -2.63 114.38 122.26 2kwp h ARG 20 Ca -0.47 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.50 2kwp h ARG 20 Cb 1.22 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2kwp h ARG 20 CO 0.68 0.51 -0.13 1.49 -1.07 0.00 0.00 179.97 181.45 2kwp h GLU 21 N 0.66 -0.31 -0.70 0.04 4.81 -1.97 -1.63 114.58 115.48 2kwp h GLU 21 Ca 0.17 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.53 2kwp h GLU 21 Cb 0.07 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.44 2kwp h GLU 21 CO -0.02 -0.21 0.31 -0.22 -0.73 0.00 0.00 179.01 178.14 2kwp h LYS 22 N -0.32 0.49 -0.01 1.92 3.64 -1.87 -1.57 116.57 118.84 2kwp h LYS 22 Ca -0.01 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2kwp h LYS 22 Cb 0.28 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2kwp h LYS 22 CO 0.00 0.32 -0.11 0.82 -2.27 0.00 0.00 179.45 178.22 2kwp h ILE 23 N 0.50 0.73 -0.91 2.00 2.04 -1.16 -1.17 117.51 119.54 2kwp h ILE 23 Ca 0.36 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.40 2kwp h ILE 23 Cb 0.45 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 2kwp h ILE 23 CO -0.32 0.00 0.59 -0.26 0.00 0.00 0.00 178.15 178.16 2kwp h PHE 24 N -0.18 0.71 -0.85 1.37 0.04 -0.36 0.17 116.94 117.85 2kwp h PHE 24 Ca 0.04 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.91 2kwp h PHE 24 Cb 0.23 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.10 2kwp h PHE 24 CO -0.18 0.20 0.51 0.93 -0.60 0.00 0.00 178.31 179.18 2kwp h GLU 25 N 0.55 0.89 -0.25 1.51 5.08 -0.48 0.17 114.58 122.04 2kwp h GLU 25 Ca 0.48 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.71 2kwp h GLU 25 Cb 0.99 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2kwp h GLU 25 CO -0.22 0.59 -0.12 0.00 -1.00 0.00 0.00 179.01 178.26 2kwp h ALA 26 N 1.42 0.35 -0.34 3.43 0.00 -0.50 -2.10 119.26 121.53 2kwp h ALA 26 Ca 0.38 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2kwp h ALA 26 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kwp h ALA 26 CO -0.19 0.22 0.19 -0.07 0.00 0.00 0.00 179.25 179.40 2kwp h LEU 27 N 0.26 0.31 -0.29 0.00 3.38 -0.65 -0.14 115.31 118.18 2kwp h LEU 27 Ca 0.06 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2kwp h LEU 27 Cb 0.63 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2kwp h LEU 27 CO 0.04 0.23 0.10 -0.33 0.09 0.00 0.00 178.44 178.57 2kwp h GLU 28 N 0.40 0.23 -0.53 1.13 5.08 -0.63 0.20 114.58 120.46 2kwp h GLU 28 Ca 0.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2kwp h GLU 28 Cb 0.01 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2kwp h GLU 28 CO -0.07 0.15 0.29 1.03 -1.00 0.00 0.00 179.01 179.41 2kwp h SER 29 N 0.23 0.64 -0.22 1.42 0.87 -0.94 -0.13 113.55 115.43 2kwp h SER 29 Ca 0.13 -0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 2kwp h SER 29 Cb 0.09 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2kwp h SER 29 CO -0.13 0.51 -0.42 0.00 -0.53 0.00 0.00 176.83 176.27 2kwp h ALA 30 N 1.59 0.34 -0.40 6.23 0.00 0.04 -1.92 119.26 125.14 2kwp h ALA 30 Ca 0.19 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2kwp h ALA 30 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kwp h ALA 30 CO -0.03 0.46 0.12 -0.07 0.00 0.00 0.00 179.25 179.72 2kwp h LEU 31 N 0.37 0.59 -0.35 0.00 -0.00 -0.13 0.24 115.31 116.03 2kwp h LEU 31 Ca 0.01 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.88 57.67 2kwp h LEU 31 Cb 1.02 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.51 2kwp h LEU 31 CO 0.09 0.65 0.20 0.00 -0.00 0.00 0.00 178.44 179.38 2kwp h ALA 32 N 0.96 0.44 -0.45 1.53 0.00 -1.03 1.70 119.26 122.41 2kwp h ALA 32 Ca 0.13 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2kwp h ALA 32 Cb 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2kwp h ALA 32 CO -0.00 -0.04 -0.03 1.15 0.00 0.00 0.00 179.25 180.32 2kwp h THR 33 N 0.44 1.27 0.00 0.00 2.02 -1.17 -1.90 112.91 113.57 2kwp h THR 33 Ca 0.12 -1.11 -0.14 0.00 0.77 0.00 0.00 66.41 66.05 2kwp h THR 33 Cb 0.04 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2kwp h THR 33 CO -0.02 0.38 -0.67 0.00 0.37 0.00 0.00 175.52 175.58 2kwp h ALA 34 N 0.90 0.79 -0.19 6.16 0.00 -0.23 -3.05 119.26 123.63 2kwp h ALA 34 Ca 0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2kwp h ALA 34 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kwp h ALA 34 CO 0.03 0.84 -0.02 1.15 0.00 0.00 0.00 179.25 181.25 2kwp h THR 35 N 0.00 1.27 0.00 0.00 2.02 0.28 -2.58 112.91 113.89 2kwp h THR 35 Ca -0.01 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.22 2kwp h THR 35 Cb 1.26 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 69.17 2kwp h THR 35 CO 0.09 0.28 -0.08 0.07 0.37 0.00 0.00 175.52 176.25 2kwp h LYS 36 N 0.09 0.00 -0.86 6.66 2.10 -1.36 -2.25 116.57 120.95 2kwp h LYS 36 Ca 0.05 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.75 2kwp h LYS 36 Cb 0.43 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.71 2kwp h LYS 36 CO 0.01 0.08 0.56 0.87 -2.00 0.00 0.00 179.45 178.98 2kwp h LYS 37 N 0.00 0.98 -0.48 0.07 1.57 -1.35 -1.20 116.57 116.16 2kwp h LYS 37 Ca -0.00 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2kwp h LYS 37 Cb 0.24 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 2kwp h LYS 37 CO 0.01 0.65 0.15 -0.22 -0.57 0.00 0.00 179.45 179.47 2kwp h LYS 38 N 1.01 0.31 0.00 3.15 3.64 -1.46 -0.49 116.57 122.74 2kwp h LYS 38 Ca 0.36 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.62 2kwp h LYS 38 Cb 0.13 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2kwp h LYS 38 CO -0.12 0.20 -0.47 1.88 -2.27 0.00 0.00 179.45 178.67 2kwp h TYR 39 N 0.32 0.00 -0.75 1.91 0.05 -1.48 -3.46 116.97 113.56 2kwp h TYR 39 Ca 0.23 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.69 2kwp h TYR 39 Cb 0.26 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 37.87 2kwp h TYR 39 CO -0.17 0.47 -0.29 0.39 -1.05 0.00 0.00 178.16 177.50 2kwp n GLU 40 N -3.84 -1.32 -0.06 4.88 1.02 -0.19 -4.80 120.64 116.33 2kwp n GLU 40 Ca -0.01 1.05 0.07 0.00 -0.02 0.00 0.00 57.16 58.25 2kwp n GLU 40 Cb 0.51 -5.32 0.10 0.00 -0.02 0.00 0.00 31.44 26.71 2kwp n GLU 40 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2kwp n GLN 41 N -2.11 1.48 -3.54 3.49 6.02 -1.26 -4.98 117.38 116.49 2kwp n GLN 41 Ca -0.16 -1.58 -0.20 0.00 -0.01 0.00 0.00 57.00 55.06 2kwp n GLN 41 Cb 0.57 -1.28 0.07 0.00 1.02 0.00 0.00 30.24 30.62 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 0.77 -6.54 -2.81 -1.09 1.02 -1.26 -4.71 120.64 106.02 2kwp n GLU 42 Ca 0.10 0.79 -0.30 0.00 -0.02 0.00 0.00 57.16 57.73 2kwp n GLU 42 Cb 0.38 -5.73 -0.02 0.00 -0.02 0.00 0.00 31.44 26.04 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 -3.40 4.82 -0.20 -3.67 -4.36 -1.26 -4.22 121.20 108.91 2kwp s ILE 43 Ca 0.15 0.52 -0.29 0.00 -0.26 0.00 0.00 60.65 60.77 2kwp s ILE 43 Cb -0.07 -3.76 0.00 0.00 1.25 0.00 0.00 42.46 39.88 2kwp s ILE 43 CO 0.75 -0.59 1.06 -0.62 0.24 0.00 0.00 174.94 175.78 2kwp s ASP 44 N -3.36 7.11 -0.01 4.36 -1.08 -1.16 -4.80 116.67 117.71 2kwp s ASP 44 Ca 0.50 1.45 0.03 0.00 -0.52 0.00 0.00 52.55 54.00 2kwp s ASP 44 Cb -0.10 -2.54 -0.00 0.00 -1.46 0.00 0.00 42.92 38.81 2kwp s ASP 44 CO 0.34 -0.64 -0.09 -0.69 0.52 0.00 0.00 175.17 174.61 2kwp s VAL 45 N 3.02 0.73 -0.09 1.11 1.01 -1.26 -2.06 120.40 122.87 2kwp s VAL 45 Ca 0.46 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.12 2kwp s VAL 45 Cb -0.16 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 2kwp s VAL 45 CO 0.09 0.22 -0.24 -0.13 0.00 0.00 0.00 175.10 175.04 2kwp s ARG 46 N -0.04 2.86 -0.07 2.72 0.52 0.68 -4.68 118.95 120.94 2kwp s ARG 46 Ca 0.01 -0.87 0.05 0.00 -0.52 0.00 0.00 55.73 54.40 2kwp s ARG 46 Cb -0.06 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 2kwp s ARG 46 CO -0.00 0.23 -0.23 0.08 0.02 0.00 0.00 175.30 175.40 2kwp s VAL 47 N 0.21 1.93 -0.07 3.52 1.01 -1.26 0.71 120.40 126.45 2kwp s VAL 47 Ca -0.14 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.87 2kwp s VAL 47 Cb -0.17 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2kwp s VAL 47 CO 0.07 0.54 -0.12 -1.10 0.00 0.00 0.00 175.10 174.49 2kwp s GLN 48 N 0.04 2.74 0.15 2.72 -0.21 -0.64 -4.65 119.66 119.80 2kwp s GLN 48 Ca -0.08 -0.65 -0.00 0.00 0.02 0.00 0.00 55.36 54.65 2kwp s GLN 48 Cb -0.15 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 2kwp s GLN 48 CO 0.05 0.56 0.32 0.42 -2.12 0.00 0.00 175.29 174.52 2kwp s ILE 49 N -0.56 5.28 -0.23 1.08 1.01 -1.26 0.62 121.20 127.14 2kwp s ILE 49 Ca 0.08 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.34 2kwp s ILE 49 Cb -0.12 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.70 2kwp s ILE 49 CO 0.02 -0.06 -0.14 -1.81 0.00 0.00 0.00 174.94 172.95 2kwp s ASP 50 N -2.95 3.95 0.07 3.58 1.01 0.70 -4.89 116.67 118.14 2kwp s ASP 50 Ca 0.37 -1.11 -0.17 0.00 0.71 0.00 0.00 52.55 52.36 2kwp s ASP 50 Cb -0.12 -1.53 -0.13 0.00 1.01 0.00 0.00 42.92 42.16 2kwp s ASP 50 CO 0.28 -0.12 1.33 0.03 0.21 0.00 0.00 175.17 176.90 2kwp h ARG 51 N 7.84 0.58 -0.60 8.23 3.08 -1.95 2.21 114.38 133.77 2kwp h ARG 51 Ca -0.29 -0.37 0.11 0.00 0.07 0.00 0.00 59.98 59.50 2kwp h ARG 51 Cb 1.08 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.09 2kwp h ARG 51 CO 0.53 0.99 0.13 0.87 -1.07 0.00 0.00 179.97 181.42 2kwp h LYS 52 N 0.25 0.26 0.10 0.04 6.56 -1.96 -2.94 116.57 118.88 2kwp h LYS 52 Ca 0.01 -0.02 -0.37 0.00 -1.06 0.00 0.00 60.65 59.22 2kwp h LYS 52 Cb 0.96 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.54 2kwp h LYS 52 CO 0.08 0.17 -2.07 0.43 -2.06 0.00 0.00 179.45 176.00 2kwp n SER 53 N -5.12 2.03 -0.03 0.86 7.64 -1.20 -5.00 113.62 112.79 2kwp n SER 53 Ca 0.09 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2kwp n SER 53 Cb 0.32 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2kwp n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kwp n GLY 54 N 2.02 1.44 3.17 0.23 0.00 0.74 -4.37 105.19 108.42 2kwp n GLY 54 Ca -0.34 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.22 0.27 0.14 1.61 2.15 -0.80 -1.88 116.67 115.94 2kwp s ASP 55 Ca 0.00 -0.89 0.09 0.00 0.43 0.00 0.00 52.55 52.19 2kwp s ASP 55 Cb 0.00 0.29 -0.04 0.00 -0.30 0.00 0.00 42.92 42.88 2kwp s ASP 55 CO 0.00 -0.70 -0.22 0.72 -0.17 0.00 0.00 175.17 174.79 2kwp s PHE 56 N -3.92 2.01 0.18 -5.34 -0.12 -1.26 0.25 117.98 109.78 2kwp s PHE 56 Ca 0.10 -0.41 0.04 0.00 -0.05 0.00 0.00 56.93 56.62 2kwp s PHE 56 Cb 0.06 -1.06 -0.04 0.00 -0.63 0.00 0.00 43.02 41.36 2kwp s PHE 56 CO -0.07 0.31 0.24 -0.51 -0.05 0.00 0.00 175.22 175.13 2kwp s ASP 57 N -2.22 5.95 -0.14 1.98 1.01 0.20 -4.87 116.67 118.58 2kwp s ASP 57 Ca 0.12 -0.00 -0.01 0.00 0.71 0.00 0.00 52.55 53.37 2kwp s ASP 57 Cb -0.09 -1.68 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 2kwp s ASP 57 CO 0.06 0.02 -0.10 -0.89 0.21 0.00 0.00 175.17 174.47 2kwp s THR 58 N -1.84 3.29 0.09 -1.27 2.01 -1.26 -1.62 115.64 115.04 2kwp s THR 58 Ca 0.33 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.79 2kwp s THR 58 Cb -0.10 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 2kwp s THR 58 CO 0.26 0.51 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.25 2kwp s PHE 59 N 0.42 1.00 0.06 4.92 0.08 0.22 -1.49 117.98 123.19 2kwp s PHE 59 Ca -0.08 -0.65 0.06 0.00 0.12 0.00 0.00 56.93 56.38 2kwp s PHE 59 Cb -0.15 -0.56 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 2kwp s PHE 59 CO 0.04 -0.02 -0.17 -0.98 -0.10 0.00 0.00 175.22 173.99 2kwp s ARG 60 N -2.66 1.05 0.08 0.44 1.70 0.31 0.25 118.95 120.12 2kwp s ARG 60 Ca 0.03 -0.93 0.04 0.00 -0.47 0.00 0.00 55.73 54.40 2kwp s ARG 60 Cb -0.03 -1.14 -0.03 0.00 -0.57 0.00 0.00 34.95 33.17 2kwp s ARG 60 CO -0.00 0.28 -0.10 -0.98 -1.08 0.00 0.00 175.30 173.41 2kwp s ARG 61 N -1.44 0.79 0.04 3.89 1.70 -0.87 -1.09 118.95 121.96 2kwp s ARG 61 Ca 0.03 -1.07 -0.01 0.00 -0.47 0.00 0.00 55.73 54.21 2kwp s ARG 61 Cb -0.09 -0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 33.74 2kwp s ARG 61 CO 0.02 0.09 -0.01 -1.58 -1.08 0.00 0.00 175.30 172.74 2kwp s TRP 62 N -2.14 0.36 -0.17 5.89 0.51 -0.27 -4.42 118.94 118.70 2kwp s TRP 62 Ca 0.02 -0.76 -0.06 0.00 -2.12 0.00 0.00 56.10 53.18 2kwp s TRP 62 Cb -0.05 -0.27 -0.04 0.00 -0.81 0.00 0.00 33.47 32.31 2kwp s TRP 62 CO 0.00 -0.30 0.04 -1.17 -0.51 0.00 0.00 176.95 175.02 2kwp s LEU 63 N -2.18 3.72 0.05 2.99 1.98 -1.25 0.11 118.68 124.10 2kwp s LEU 63 Ca -0.05 0.06 -0.30 0.00 -2.89 0.00 0.00 54.13 50.95 2kwp s LEU 63 Cb -0.01 -1.93 -0.08 0.00 0.66 0.00 0.00 46.19 44.83 2kwp s LEU 63 CO -0.05 0.19 1.74 -0.69 -1.89 0.00 0.00 176.35 175.64 2kwp s VAL 64 N 0.26 3.06 0.06 1.68 1.01 0.21 0.14 120.40 126.81 2kwp s VAL 64 Ca 0.03 0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.44 2kwp s VAL 64 Cb -0.13 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2kwp s VAL 64 CO 0.01 -0.01 -0.14 -0.69 0.00 0.00 0.00 175.10 174.26 2kwp s VAL 65 N 3.23 1.14 -0.57 2.92 1.01 0.52 -3.04 120.40 125.61 2kwp s VAL 65 Ca 0.77 -1.17 0.25 0.00 0.00 0.00 0.00 61.98 61.84 2kwp s VAL 65 Cb -0.40 -1.06 0.31 0.00 0.00 0.00 0.00 36.38 35.23 2kwp s VAL 65 CO 0.34 -0.11 1.73 -0.78 0.00 0.00 0.00 175.10 176.28 2kwp h ASP 66 N 4.58 0.00 -0.71 3.32 3.58 -1.93 0.12 116.42 125.39 2kwp h ASP 66 Ca -0.40 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.73 2kwp h ASP 66 Cb 1.19 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 41.97 2kwp h ASP 66 CO 0.42 0.00 -0.77 1.21 -2.88 0.00 0.00 179.24 177.22 2kwp n GLU 67 N -2.59 1.08 -1.31 0.28 4.07 -1.26 -4.82 120.64 116.09 2kwp n GLU 67 Ca 0.04 -2.54 -0.53 0.00 -0.06 0.00 0.00 57.16 54.08 2kwp n GLU 67 Cb 0.44 -1.00 -0.08 0.00 -0.06 0.00 0.00 31.44 30.74 2kwp n GLU 67 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2kwp n VAL 68 N 0.01 0.00 0.40 6.31 3.14 -1.26 -4.77 118.33 122.16 2kwp n VAL 68 Ca 0.09 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.59 2kwp n VAL 68 Cb 0.75 -0.40 0.21 0.00 -1.06 0.00 0.00 33.84 33.34 2kwp n VAL 68 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2kwp h THR 69 N 4.27 0.00 -1.97 1.55 1.35 -1.97 -3.42 112.91 112.72 2kwp h THR 69 Ca -0.30 -0.72 -0.30 0.00 -0.55 0.00 0.00 66.41 64.54 2kwp h THR 69 Cb 1.09 1.53 -0.31 0.00 -1.73 0.00 0.00 68.15 68.73 2kwp h THR 69 CO 0.79 0.00 -0.62 -1.10 -0.25 0.00 0.00 175.52 174.34 2kwp s GLN 70 N -3.20 0.42 0.00 4.72 -0.21 -1.26 -5.00 119.66 115.14 2kwp s GLN 70 Ca 0.06 -0.24 0.10 0.00 0.02 0.00 0.00 55.36 55.31 2kwp s GLN 70 Cb 0.10 -0.57 0.56 0.00 1.00 0.00 0.00 33.01 34.10 2kwp s GLN 70 CO 0.68 -1.07 1.15 -0.35 -2.12 0.00 0.00 175.29 173.58 2kwp n PRO 71 N 5.07 0.23 0.09 2.91 -0.04 -1.25 -0.77 135.00 141.23 2kwp n PRO 71 Ca 0.02 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 2kwp n PRO 71 Cb 0.47 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 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 1.28 0.00 0.52 1.35 -1.87 -3.35 112.91 110.83 2kwp h THR 72 Ca 0.00 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 2kwp h THR 72 Cb 0.05 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2kwp h THR 72 CO 0.00 0.75 0.00 0.29 -0.25 0.00 0.00 175.52 176.31 2kwp n LYS 73 N -3.80 1.32 -4.06 4.72 5.02 -1.10 -2.99 118.16 117.27 2kwp n LYS 73 Ca -0.14 -1.06 -0.13 0.00 -2.02 0.00 0.00 58.31 54.96 2kwp n LYS 73 Cb 0.98 -0.98 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 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 -0.57 0.52 -0.04 1.97 2.02 0.05 -3.78 118.70 118.88 2kwp s GLU 74 Ca 0.00 -0.76 0.05 0.00 0.02 0.00 0.00 54.97 54.28 2kwp s GLU 74 Cb 0.00 -0.27 -0.01 0.00 0.10 0.00 0.00 34.13 33.95 2kwp s GLU 74 CO 0.00 0.04 -0.20 -1.50 0.02 0.00 0.00 175.26 173.62 2kwp s ILE 75 N -1.43 1.65 0.94 -1.63 2.07 0.12 -3.90 121.20 119.03 2kwp s ILE 75 Ca -0.10 -0.86 -0.13 0.00 -1.41 0.00 0.00 60.65 58.15 2kwp s ILE 75 Cb -0.10 -1.40 0.16 0.00 0.13 0.00 0.00 42.46 41.25 2kwp s ILE 75 CO 0.00 0.47 1.15 0.42 -1.91 0.00 0.00 174.94 175.07 2kwp s THR 76 N -0.19 1.96 0.08 4.00 -4.23 -1.26 0.20 115.64 116.20 2kwp s THR 76 Ca 0.00 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 2kwp s THR 76 Cb -0.11 -2.75 -0.09 0.00 1.34 0.00 0.00 72.50 70.90 2kwp s THR 76 CO 0.02 0.00 1.49 0.25 -0.54 0.00 0.00 174.62 175.84 2kwp h LEU 77 N -1.61 0.45 -0.26 4.79 5.85 -1.07 -0.17 115.31 123.29 2kwp h LEU 77 Ca -0.49 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 57.95 2kwp h LEU 77 Cb 1.32 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.16 2kwp h LEU 77 CO 0.57 0.68 -0.24 -0.08 -0.34 0.00 0.00 178.44 179.04 2kwp h GLU 78 N 0.20 -0.23 -0.16 1.25 4.81 -1.93 0.17 114.58 118.69 2kwp h GLU 78 Ca 0.06 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2kwp h GLU 78 Cb 0.47 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2kwp h GLU 78 CO 0.02 -0.15 -0.17 0.00 -0.73 0.00 0.00 179.01 177.97 2kwp h ALA 79 N 0.83 1.41 -0.79 2.92 0.00 -1.92 -2.32 119.26 119.38 2kwp h ALA 79 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kwp h ALA 79 Cb 0.46 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2kwp h ALA 79 CO -0.40 0.41 0.47 0.00 0.00 0.00 0.00 179.25 179.73 2kwp h ALA 80 N 1.57 1.01 0.00 0.00 0.00 0.11 -1.67 119.26 120.28 2kwp h ALA 80 Ca 0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2kwp h ALA 80 Cb 0.46 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2kwp h ALA 80 CO 0.03 0.48 -0.51 0.07 0.00 0.00 0.00 179.25 179.32 2kwp h ARG 81 N 1.08 0.00 -0.39 0.00 0.11 -0.52 -1.07 114.38 113.59 2kwp h ARG 81 Ca 0.28 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.26 2kwp h ARG 81 Cb -0.02 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.04 2kwp h ARG 81 CO -0.05 0.51 -0.19 1.88 0.10 0.00 0.00 179.97 182.22 2kwp h TYR 82 N 0.00 0.84 0.00 4.08 0.05 -0.81 -0.96 116.97 120.16 2kwp h TYR 82 Ca -0.01 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.60 2kwp h TYR 82 Cb 1.04 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.58 2kwp h TYR 82 CO 0.00 0.88 -0.44 0.93 -1.05 0.00 0.00 178.16 178.47 2kwp h GLU 83 N 0.66 0.00 0.00 4.88 4.39 -1.20 -3.44 114.58 119.87 2kwp h GLU 83 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2kwp h GLU 83 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2kwp h GLU 83 CO 0.05 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.65 2kwp n ASP 84 N -2.32 0.00 -0.08 1.42 8.00 -0.42 -4.99 116.55 118.17 2kwp n ASP 84 Ca 0.04 0.00 0.24 0.00 0.71 0.00 0.00 54.79 55.78 2kwp n ASP 84 Cb 0.46 0.00 0.55 0.00 -0.02 0.00 0.00 41.12 42.11 2kwp n ASP 84 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2kwp h GLU 85 N 0.00 0.00 0.00 -1.24 4.39 -1.35 1.36 114.58 117.74 2kwp h GLU 85 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2kwp h GLU 85 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2kwp h GLU 85 CO 0.00 0.00 -0.14 0.77 -1.16 0.00 0.00 179.01 178.48 2kwp h SER 86 N 0.00 0.00 -4.03 1.42 0.02 -1.87 -3.43 113.55 105.66 2kwp h SER 86 Ca 0.36 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.77 2kwp h SER 86 Cb 2.19 0.00 0.12 0.00 0.14 0.00 0.00 62.40 64.85 2kwp h SER 86 CO -0.00 0.14 0.61 -0.76 -1.14 0.00 0.00 176.83 175.68 2kwp s LEU 87 N -7.66 3.93 0.35 5.07 1.43 0.47 -5.02 118.68 117.25 2kwp s LEU 87 Ca -0.03 2.72 0.06 0.00 -1.03 0.00 0.00 54.13 55.85 2kwp s LEU 87 Cb 0.14 -4.19 -0.03 0.00 0.03 0.00 0.00 46.19 42.14 2kwp s LEU 87 CO 0.62 -1.38 0.24 0.20 0.23 0.00 0.00 176.35 176.25 2kwp s ASN 88 N -0.92 1.90 0.05 2.29 0.01 -1.26 -4.67 114.94 112.34 2kwp s ASN 88 Ca 0.68 -1.73 -0.30 0.00 -0.71 0.00 0.00 52.86 50.80 2kwp s ASN 88 Cb -0.39 0.55 -0.08 0.00 0.41 0.00 0.00 41.25 41.73 2kwp s ASN 88 CO 0.47 -1.03 1.74 -0.22 -1.51 0.00 0.00 177.10 176.56 2kwp s LEU 89 N -3.43 4.38 0.00 0.60 1.98 -1.26 -1.45 118.68 119.50 2kwp s LEU 89 Ca 0.36 2.52 0.00 0.00 -2.89 0.00 0.00 54.13 54.12 2kwp s LEU 89 Cb 0.02 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 43.32 2kwp s LEU 89 CO 0.24 -0.94 0.00 0.61 -1.89 0.00 0.00 176.35 174.36 2kwp n GLY 90 N 4.16 0.57 3.92 7.98 0.00 -1.17 -5.03 105.19 115.62 2kwp n GLY 90 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.90 6.40 -0.13 1.61 2.15 -0.53 -4.86 116.67 118.42 2kwp s ASP 91 Ca 0.00 0.45 -0.07 0.00 0.43 0.00 0.00 52.55 53.36 2kwp s ASP 91 Cb 0.00 -2.03 -0.04 0.00 -0.30 0.00 0.00 42.92 40.55 2kwp s ASP 91 CO 0.00 -0.03 0.11 -0.31 -0.17 0.00 0.00 175.17 174.77 2kwp s TYR 92 N -1.84 3.49 -0.14 -5.34 2.02 -1.26 -0.62 117.35 113.65 2kwp s TYR 92 Ca 0.39 0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 57.44 2kwp s TYR 92 Cb -0.11 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 2kwp s TYR 92 CO 0.28 0.61 0.13 0.08 -1.57 0.00 0.00 175.55 175.09 2kwp s VAL 93 N -0.76 5.44 0.07 0.71 1.01 0.29 -4.90 120.40 122.26 2kwp s VAL 93 Ca 0.13 0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.39 2kwp s VAL 93 Cb -0.12 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2kwp s VAL 93 CO 0.03 0.58 -0.23 -1.61 0.00 0.00 0.00 175.10 173.86 2kwp s GLU 94 N -0.69 1.78 -0.04 2.72 2.02 -1.26 -1.11 118.70 122.12 2kwp s GLU 94 Ca 0.13 -1.14 -0.21 0.00 0.02 0.00 0.00 54.97 53.77 2kwp s GLU 94 Cb -0.12 -2.03 0.04 0.00 0.10 0.00 0.00 34.13 32.12 2kwp s GLU 94 CO 0.03 0.50 0.46 -0.51 0.02 0.00 0.00 175.26 175.76 2kwp s ASP 95 N -1.58 -0.38 -0.11 -0.19 1.01 -0.25 -4.99 116.67 110.17 2kwp s ASP 95 Ca 0.14 0.37 -0.12 0.00 0.71 0.00 0.00 52.55 53.64 2kwp s ASP 95 Cb -0.10 0.43 -0.05 0.00 1.01 0.00 0.00 42.92 44.21 2kwp s ASP 95 CO 0.05 -0.50 0.28 -1.58 0.21 0.00 0.00 175.17 173.63 2kwp s GLN 96 N -1.20 3.97 0.25 8.23 0.74 -1.26 -0.53 119.66 129.85 2kwp s GLN 96 Ca -0.12 0.12 0.07 0.00 0.05 0.00 0.00 55.36 55.48 2kwp s GLN 96 Cb -0.03 -3.31 -0.05 0.00 1.10 0.00 0.00 33.01 30.71 2kwp s GLN 96 CO 0.06 0.49 -0.10 0.96 -0.55 0.00 0.00 175.29 176.15 2kwp s ILE 97 N -0.31 1.73 0.68 -2.34 -4.36 -0.56 -4.90 121.20 111.13 2kwp s ILE 97 Ca 0.18 -2.18 -0.17 0.00 -0.26 0.00 0.00 60.65 58.22 2kwp s ILE 97 Cb -0.14 -2.27 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 2kwp s ILE 97 CO 0.06 -0.43 1.03 -0.62 0.24 0.00 0.00 174.94 175.22 2kwp n GLU 98 N -0.50 0.71 -4.21 0.37 1.02 -1.26 -4.21 120.64 112.56 2kwp n GLU 98 Ca -0.06 0.29 -0.25 0.00 -0.02 0.00 0.00 57.16 57.12 2kwp n GLU 98 Cb 0.62 -2.27 -0.07 0.00 -0.02 0.00 0.00 31.44 29.70 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kwp s SER 99 N -1.50 4.86 -0.15 1.62 0.01 -1.26 -4.68 113.70 112.61 2kwp s SER 99 Ca 0.76 -0.43 -0.19 0.00 1.31 0.00 0.00 55.95 57.40 2kwp s SER 99 Cb -0.37 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.77 2kwp s SER 99 CO 0.47 0.04 0.51 -0.69 0.41 0.00 0.00 173.24 173.98 2kwp s VAL 100 N -1.96 5.15 0.01 3.43 1.01 -1.26 -5.03 120.40 121.75 2kwp s VAL 100 Ca 0.30 0.98 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 2kwp s VAL 100 Cb -0.08 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2kwp s VAL 100 CO 0.20 0.26 1.31 -0.89 0.00 0.00 0.00 175.10 175.98 2kwp s THR 101 N 1.06 3.86 0.04 3.92 2.01 -1.26 -4.92 115.64 120.35 2kwp s THR 101 Ca 0.26 1.27 -0.19 0.00 0.31 0.00 0.00 61.69 63.33 2kwp s THR 101 Cb -0.15 -3.81 -0.15 0.00 0.01 0.00 0.00 72.50 68.40 2kwp s THR 101 CO 0.10 0.03 1.32 0.15 -0.69 0.00 0.00 174.62 175.53 2kwp h PHE 102 N 7.40 0.52 -0.00 4.92 3.57 -1.96 -2.70 116.94 128.69 2kwp h PHE 102 Ca -0.38 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 60.94 2kwp h PHE 102 Cb 1.19 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 2kwp h PHE 102 CO 0.72 0.85 0.03 0.22 -2.23 0.00 0.00 178.31 177.90 2kwp h ASP 103 N 0.04 0.00 1.14 0.41 3.58 -1.96 0.75 116.42 120.38 2kwp h ASP 103 Ca 0.01 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.28 2kwp h ASP 103 Cb 0.80 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 2kwp h ASP 103 CO 0.05 0.00 -0.87 0.03 -2.88 0.00 0.00 179.24 175.57 2kwp h ARG 104 N 0.00 0.00 -4.97 0.28 3.08 -1.88 -3.43 114.38 107.46 2kwp h ARG 104 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2kwp h ARG 104 Cb 0.07 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 29.78 2kwp h ARG 104 CO -0.00 0.83 -0.85 0.42 -1.07 0.00 0.00 179.97 179.30 2kwp s ILE 105 N -2.79 1.68 -0.36 2.04 1.01 0.26 -5.08 121.20 117.96 2kwp s ILE 105 Ca 0.02 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.92 2kwp s ILE 105 Cb 0.09 -1.49 0.10 0.00 0.01 0.00 0.00 42.46 41.18 2kwp s ILE 105 CO 0.80 0.48 0.08 -0.89 0.00 0.00 0.00 174.94 175.40 2kwp s THR 106 N 0.64 2.21 0.02 2.92 2.01 -1.26 -4.75 115.64 117.43 2kwp s THR 106 Ca -0.13 -2.41 0.06 0.00 0.31 0.00 0.00 61.69 59.51 2kwp s THR 106 Cb -0.16 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 2kwp s THR 106 CO 0.04 -0.63 -0.17 -0.89 -0.69 0.00 0.00 174.62 172.28 2kwp s THR 107 N 0.79 1.33 -0.92 -0.82 2.01 -1.26 -5.01 115.64 111.77 2kwp s THR 107 Ca 0.12 -0.90 0.28 0.00 0.31 0.00 0.00 61.69 61.49 2kwp s THR 107 Cb -0.20 -1.15 0.24 0.00 0.01 0.00 0.00 72.50 71.40 2kwp s THR 107 CO -0.08 0.23 1.85 0.00 -0.69 0.00 0.00 174.62 175.93 2kwp n GLN 108 N 2.26 0.08 -0.35 4.92 10.64 -1.26 -3.61 117.38 130.06 2kwp n GLN 108 Ca -0.16 0.06 0.03 0.00 -1.83 0.00 0.00 57.00 55.10 2kwp n GLN 108 Cb 0.54 -1.59 0.18 0.00 -0.86 0.00 0.00 30.24 28.52 2kwp n GLN 108 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 2kwp h THR 109 N 0.00 1.02 -0.75 -0.39 2.02 -2.01 -0.05 112.91 112.75 2kwp h THR 109 Ca 0.00 -0.36 0.12 0.00 0.77 0.00 0.00 66.41 66.93 2kwp h THR 109 Cb 0.57 -0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 2kwp h THR 109 CO 0.00 0.19 0.49 0.00 0.37 0.00 0.00 175.52 176.58 2kwp h ALA 110 N 1.47 1.92 -0.03 6.16 0.00 -2.01 0.12 119.26 126.88 2kwp h ALA 110 Ca 0.43 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 2kwp h ALA 110 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2kwp h ALA 110 CO -0.20 -0.10 -0.52 0.87 0.00 0.00 0.00 179.25 179.30 2kwp h LYS 111 N 0.57 0.09 -0.77 0.00 1.57 -1.24 -3.01 116.57 113.79 2kwp h LYS 111 Ca 0.36 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.09 2kwp h LYS 111 Cb 0.61 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 2kwp h LYS 111 CO -0.13 0.59 0.51 1.96 -0.57 0.00 0.00 179.45 181.81 2kwp h GLN 112 N 0.07 1.00 0.00 3.15 4.20 -0.47 -0.43 115.11 122.62 2kwp h GLN 112 Ca -0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2kwp h GLN 112 Cb 0.95 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 2kwp h GLN 112 CO 0.07 0.66 -0.12 -0.39 -0.67 0.00 0.00 178.83 178.38 2kwp h VAL 113 N 1.03 0.48 -0.08 -0.54 -1.51 -1.38 -0.59 116.25 113.66 2kwp h VAL 113 Ca 0.29 -0.58 -0.08 0.00 -1.23 0.00 0.00 66.70 65.10 2kwp h VAL 113 Cb -0.10 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 2kwp h VAL 113 CO -0.07 0.12 -0.26 0.40 -1.23 0.00 0.00 177.57 176.53 2kwp h ILE 114 N 0.00 1.42 -0.19 7.19 2.04 -1.06 -2.41 117.51 124.49 2kwp h ILE 114 Ca -0.00 -1.64 -0.18 0.00 1.00 0.00 0.00 64.86 64.04 2kwp h ILE 114 Cb 0.39 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2kwp h ILE 114 CO 0.02 0.47 -0.62 1.62 0.00 0.00 0.00 178.15 179.63 2kwp h VAL 115 N -0.18 1.31 0.06 1.67 3.04 -1.15 -2.27 116.25 118.72 2kwp h VAL 115 Ca -0.01 -1.87 0.00 0.00 -1.01 0.00 0.00 66.70 63.82 2kwp h VAL 115 Cb 0.89 1.82 -0.00 0.00 -2.01 0.00 0.00 31.29 31.99 2kwp h VAL 115 CO 0.05 0.59 -0.05 -0.61 -1.01 0.00 0.00 177.57 176.54 2kwp h GLN 116 N 0.49 -0.11 -0.32 4.17 4.15 -1.15 0.92 115.11 123.25 2kwp h GLN 116 Ca -0.01 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2kwp h GLN 116 Cb 1.20 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 2kwp h GLN 116 CO 0.12 -0.07 0.18 0.87 -1.93 0.00 0.00 178.83 178.00 2kwp h LYS 117 N -0.11 0.45 -0.57 1.69 1.57 -1.44 -0.29 116.57 117.86 2kwp h LYS 117 Ca 0.00 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2kwp h LYS 117 Cb 0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2kwp h LYS 117 CO -0.01 0.37 0.10 0.28 -0.57 0.00 0.00 179.45 179.62 2kwp h VAL 118 N 0.40 1.25 -0.37 0.50 2.07 -1.12 -2.51 116.25 116.48 2kwp h VAL 118 Ca 0.11 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 2kwp h VAL 118 Cb 0.06 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2kwp h VAL 118 CO -0.02 0.35 0.10 -0.09 0.02 0.00 0.00 177.57 177.94 2kwp h ARG 119 N 0.83 0.53 -0.13 1.57 2.43 0.12 -1.56 114.38 118.17 2kwp h ARG 119 Ca 0.17 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2kwp h ARG 119 Cb 0.41 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2kwp h ARG 119 CO 0.01 0.48 -0.05 1.49 -1.51 0.00 0.00 179.97 180.39 2kwp h GLU 120 N 0.52 0.19 -0.76 0.20 4.81 -0.60 -1.90 114.58 117.04 2kwp h GLU 120 Ca 0.12 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2kwp h GLU 120 Cb 0.18 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 2kwp h GLU 120 CO -0.01 0.26 0.50 0.00 -0.73 0.00 0.00 179.01 179.03 2kwp h ALA 121 N 1.77 1.71 0.00 2.92 0.00 -1.13 0.79 119.26 125.32 2kwp h ALA 121 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2kwp h ALA 121 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kwp h ALA 121 CO 0.01 0.16 -0.15 0.93 0.00 0.00 0.00 179.25 180.19 2kwp h GLU 122 N 0.77 0.00 -0.90 0.00 4.39 -1.42 -2.09 114.58 115.33 2kwp h GLU 122 Ca 0.34 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.12 2kwp h GLU 122 Cb 0.32 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 2kwp h GLU 122 CO -0.12 0.15 0.58 -0.09 -1.16 0.00 0.00 179.01 178.37 2kwp h ARG 123 N 0.00 0.91 -6.19 2.33 2.43 -0.89 -3.37 114.38 109.60 2kwp h ARG 123 Ca -0.00 -0.05 -0.59 0.00 -0.81 0.00 0.00 59.98 58.53 2kwp h ARG 123 Cb 0.28 -0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 29.54 2kwp h ARG 123 CO 0.02 0.60 0.68 0.00 -1.51 0.00 0.00 179.97 179.76 2kwp s ALA 124 N -5.85 3.40 0.32 2.80 0.00 -0.79 -4.90 121.76 116.74 2kwp s ALA 124 Ca -0.11 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2kwp s ALA 124 Cb 0.20 -3.60 0.52 0.00 0.00 0.00 0.00 23.12 20.24 2kwp s ALA 124 CO 0.80 -1.64 1.91 0.52 0.00 0.00 0.00 175.76 177.35 2kwp h MET 125 N 8.47 0.81 -0.91 0.00 2.86 -1.84 -2.09 114.93 122.23 2kwp h MET 125 Ca -0.23 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.36 2kwp h MET 125 Cb 1.07 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 32.53 2kwp h MET 125 CO 1.01 0.65 0.60 1.25 1.06 0.00 0.00 176.91 181.47 2kwp h LEU 126 N 0.81 0.94 -9.83 1.22 5.85 -1.92 -3.42 115.31 108.96 2kwp h LEU 126 Ca 0.20 -0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.39 2kwp h LEU 126 Cb 0.12 -0.20 0.07 0.00 0.37 0.00 0.00 40.66 41.02 2kwp h LEU 126 CO -0.02 0.62 0.75 -0.69 -0.34 0.00 0.00 178.44 178.76 2kwp s VAL 127 N -5.94 2.46 0.42 1.05 1.01 -0.79 -4.96 120.40 113.65 2kwp s VAL 127 Ca -0.12 0.42 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 2kwp s VAL 127 Cb 0.19 -3.27 -0.08 0.00 0.00 0.00 0.00 36.38 33.23 2kwp s VAL 127 CO 0.80 0.08 1.17 -2.16 0.00 0.00 0.00 175.10 174.99 2kwp s PRO 128 N -1.13 3.95 0.00 2.72 0.04 -1.26 -4.94 135.00 134.38 2kwp s PRO 128 Ca 0.56 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.43 2kwp s PRO 128 Cb -0.43 -2.58 0.16 0.00 0.04 0.00 0.00 34.50 31.69 2kwp s PRO 128 CO 0.51 -0.40 0.65 0.54 0.04 0.00 0.00 177.00 178.33