#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 6.18 0.53 7.83 3.84 0.39 -4.90 114.94 128.81 2kwp s ASN 2 Ca 0.00 -1.21 0.25 0.00 0.21 0.00 0.00 52.86 52.11 2kwp s ASN 2 Cb 0.00 -2.24 1.46 0.00 -0.55 0.00 0.00 41.25 39.92 2kwp s ASN 2 CO 0.00 -0.80 2.11 0.50 -2.79 0.00 0.00 177.10 176.12 2kwp h LYS 3 N 8.90 0.00 -0.60 0.43 3.64 -1.89 -2.30 116.57 124.75 2kwp h LYS 3 Ca -0.28 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 2kwp h LYS 3 Cb 1.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 2kwp h LYS 3 CO 0.95 0.09 0.31 0.93 -2.27 0.00 0.00 179.45 179.46 2kwp h GLU 4 N 0.00 0.84 -0.36 1.90 5.08 -1.97 0.13 114.58 120.20 2kwp h GLU 4 Ca -0.00 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 2kwp h GLU 4 Cb 0.22 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2kwp h GLU 4 CO 0.01 0.66 -0.25 0.82 -1.00 0.00 0.00 179.01 179.26 2kwp h ILE 5 N 0.81 1.27 -0.04 3.13 2.04 -1.81 -2.01 117.51 120.91 2kwp h ILE 5 Ca 0.21 -1.35 -0.12 0.00 1.00 0.00 0.00 64.86 64.60 2kwp h ILE 5 Cb 0.08 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2kwp h ILE 5 CO -0.03 0.45 -0.52 -0.07 0.00 0.00 0.00 178.15 177.98 2kwp h LEU 6 N 0.63 0.12 -0.18 1.44 3.38 -1.25 -2.71 115.31 116.73 2kwp h LEU 6 Ca 0.08 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2kwp h LEU 6 Cb 0.75 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2kwp h LEU 6 CO 0.06 0.62 -0.37 0.00 0.09 0.00 0.00 178.44 178.83 2kwp h ALA 7 N 1.39 0.29 0.00 1.53 0.00 -0.45 -2.98 119.26 119.04 2kwp h ALA 7 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2kwp h ALA 7 Cb 0.95 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2kwp h ALA 7 CO 0.07 0.37 -0.14 -0.24 0.00 0.00 0.00 179.25 179.31 2kwp h VAL 8 N 0.24 1.04 -0.53 0.00 3.04 -1.30 -1.89 116.25 116.85 2kwp h VAL 8 Ca 0.01 -0.50 -0.11 0.00 -1.01 0.00 0.00 66.70 65.08 2kwp h VAL 8 Cb 0.97 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 31.51 2kwp h VAL 8 CO 0.08 0.14 -0.10 0.58 -1.01 0.00 0.00 177.57 177.26 2kwp h VAL 9 N 0.00 1.27 -0.05 1.51 2.07 -1.34 -2.06 116.25 117.66 2kwp h VAL 9 Ca -0.00 -1.25 -0.15 0.00 0.82 0.00 0.00 66.70 66.11 2kwp h VAL 9 Cb 0.26 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2kwp h VAL 9 CO 0.02 0.44 -0.66 -0.33 0.02 0.00 0.00 177.57 177.06 2kwp h GLU 10 N 0.89 0.20 -0.36 1.57 5.08 -1.27 -2.31 114.58 118.38 2kwp h GLU 10 Ca 0.14 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2kwp h GLU 10 Cb 0.66 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2kwp h GLU 10 CO 0.05 0.79 -0.20 0.00 -1.00 0.00 0.00 179.01 178.65 2kwp h ALA 11 N 1.17 0.97 -0.07 3.43 0.00 -1.11 -1.12 119.26 122.53 2kwp h ALA 11 Ca -0.01 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.35 2kwp h ALA 11 Cb 1.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2kwp h ALA 11 CO 0.10 0.60 -0.80 0.28 0.00 0.00 0.00 179.25 179.43 2kwp h VAL 12 N 0.61 1.37 0.00 0.00 2.07 -1.27 -2.51 116.25 116.52 2kwp h VAL 12 Ca 0.09 -2.20 -0.07 0.00 0.82 0.00 0.00 66.70 65.34 2kwp h VAL 12 Cb 0.67 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2kwp h VAL 12 CO 0.05 0.67 -0.35 0.77 0.02 0.00 0.00 177.57 178.72 2kwp h SER 13 N 0.31 0.00 0.42 0.57 4.64 -1.21 -1.42 113.55 116.86 2kwp h SER 13 Ca -0.05 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.99 2kwp h SER 13 Cb 1.40 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.51 2kwp h SER 13 CO 0.14 0.35 -1.21 -1.13 -0.87 0.00 0.00 176.83 174.11 2kwp h ASN 14 N 0.00 0.59 0.00 4.97 -1.24 -1.10 0.67 115.58 119.47 2kwp h ASN 14 Ca -0.00 -0.58 -0.21 0.00 0.71 0.00 0.00 56.30 56.22 2kwp h ASN 14 Cb 0.86 -0.19 0.02 0.00 0.73 0.00 0.00 38.32 39.74 2kwp h ASN 14 CO 0.05 1.43 -0.80 -0.33 -1.29 0.00 0.00 177.43 176.48 2kwp h GLU 15 N 0.16 0.54 -0.59 6.67 5.08 -1.34 -3.27 114.58 121.83 2kwp h GLU 15 Ca -0.15 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 2kwp h GLU 15 Cb 1.90 0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.32 2kwp h GLU 15 CO 0.21 1.21 0.00 1.63 -1.00 0.00 0.00 179.01 181.06 2kwp n LYS 16 N -4.05 2.68 -1.87 2.33 5.02 -0.55 -4.92 118.16 116.80 2kwp n LYS 16 Ca -0.11 -2.46 -0.07 0.00 -2.02 0.00 0.00 58.31 53.66 2kwp n LYS 16 Cb 0.77 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.27 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 1.39 -0.51 -2.26 7.82 0.00 0.23 -4.89 120.51 122.29 2kwp n ALA 17 Ca 0.21 0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.46 2kwp n ALA 17 Cb 0.58 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 19.09 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 -4.18 3.57 0.31 0.00 1.43 -0.96 -4.96 118.68 113.88 2kwp s LEU 18 Ca 0.00 0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 53.60 2kwp s LEU 18 Cb 0.00 -3.71 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 2kwp s LEU 18 CO 0.00 -0.68 1.25 -2.16 0.23 0.00 0.00 176.35 175.00 2kwp s PRO 19 N -4.75 4.43 0.25 1.29 0.04 -1.26 -4.40 135.00 130.60 2kwp s PRO 19 Ca 0.48 2.10 -0.03 0.00 0.04 0.00 0.00 61.00 63.59 2kwp s PRO 19 Cb -0.10 -3.11 0.42 0.00 0.04 0.00 0.00 34.50 31.75 2kwp s PRO 19 CO 0.44 -0.08 1.81 0.00 0.04 0.00 0.00 177.00 179.20 2kwp h ARG 20 N 3.62 0.78 -0.05 4.56 3.08 -1.96 -2.21 114.38 122.21 2kwp h ARG 20 Ca -0.48 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 59.56 2kwp h ARG 20 Cb 1.22 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 31.04 2kwp h ARG 20 CO 0.67 0.52 -0.40 1.49 -1.07 0.00 0.00 179.97 181.17 2kwp h GLU 21 N 0.81 -0.51 -0.55 0.04 4.57 -1.97 -1.47 114.58 115.50 2kwp h GLU 21 Ca 0.41 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.74 2kwp h GLU 21 Cb 0.40 0.12 -0.11 0.00 -0.16 0.00 0.00 28.75 28.99 2kwp h GLU 21 CO -0.26 -0.34 -0.25 -0.22 -1.18 0.00 0.00 179.01 176.76 2kwp h LYS 22 N -0.53 -0.11 -0.56 1.92 1.63 -1.79 0.95 116.57 118.07 2kwp h LYS 22 Ca 0.06 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.98 2kwp h LYS 22 Cb 0.63 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.18 2kwp h LYS 22 CO -0.34 -0.08 -0.09 0.82 -3.45 0.00 0.00 179.45 176.32 2kwp h ILE 23 N -0.12 0.48 -0.76 2.00 2.04 -1.07 0.50 117.51 120.58 2kwp h ILE 23 Ca 0.25 -0.01 0.16 0.00 1.00 0.00 0.00 64.86 66.25 2kwp h ILE 23 Cb 0.51 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 2kwp h ILE 23 CO -0.62 0.01 0.51 -0.26 0.00 0.00 0.00 178.15 177.78 2kwp h PHE 24 N 0.04 0.44 -0.40 1.37 0.04 0.09 -0.03 116.94 118.48 2kwp h PHE 24 Ca 0.28 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.06 2kwp h PHE 24 Cb 0.43 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 2kwp h PHE 24 CO -0.42 0.16 0.26 1.49 -0.60 0.00 0.00 178.31 179.20 2kwp h GLU 25 N 0.37 0.53 -0.32 1.51 4.81 0.69 0.18 114.58 122.36 2kwp h GLU 25 Ca 0.37 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.47 2kwp h GLU 25 Cb 0.92 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2kwp h GLU 25 CO -0.11 0.37 -0.16 0.00 -0.73 0.00 0.00 179.01 178.38 2kwp h ALA 26 N 1.13 0.46 -0.40 2.92 0.00 -0.80 -2.12 119.26 120.45 2kwp h ALA 26 Ca 0.15 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2kwp h ALA 26 Cb -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2kwp h ALA 26 CO -0.03 0.37 0.17 -0.07 0.00 0.00 0.00 179.25 179.68 2kwp h LEU 27 N 0.45 0.22 -0.83 0.00 3.38 -0.91 0.19 115.31 117.81 2kwp h LEU 27 Ca 0.07 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2kwp h LEU 27 Cb 0.69 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2kwp h LEU 27 CO 0.05 0.16 0.49 -0.33 0.09 0.00 0.00 178.44 178.90 2kwp h GLU 28 N 0.35 1.14 -0.09 1.13 5.08 -0.88 -0.12 114.58 121.19 2kwp h GLU 28 Ca 0.18 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 2kwp h GLU 28 Cb 0.12 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2kwp h GLU 28 CO -0.15 0.82 -0.36 0.77 -1.00 0.00 0.00 179.01 179.08 2kwp h SER 29 N 1.15 0.19 -0.14 1.42 0.02 -0.63 -0.91 113.55 114.66 2kwp h SER 29 Ca 0.30 -0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 61.01 2kwp h SER 29 Cb -0.02 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.48 2kwp h SER 29 CO -0.05 0.55 -0.55 0.00 -1.14 0.00 0.00 176.83 175.63 2kwp h ALA 30 N 1.47 0.25 -0.11 3.77 0.00 0.22 -0.91 119.26 123.95 2kwp h ALA 30 Ca 0.02 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2kwp h ALA 30 Cb 0.72 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kwp h ALA 30 CO 0.05 0.47 -0.04 -0.07 0.00 0.00 0.00 179.25 179.66 2kwp h LEU 31 N 0.27 0.23 -0.31 0.00 -0.00 -0.91 0.84 115.31 115.44 2kwp h LEU 31 Ca -0.03 -0.40 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 2kwp h LEU 31 Cb 1.18 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.77 2kwp h LEU 31 CO 0.12 0.58 0.15 0.00 -0.00 0.00 0.00 178.44 179.28 2kwp h ALA 32 N 0.66 0.40 -0.58 1.53 0.00 -1.23 0.90 119.26 120.95 2kwp h ALA 32 Ca 0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2kwp h ALA 32 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2kwp h ALA 32 CO 0.01 -0.03 0.16 1.15 0.00 0.00 0.00 179.25 180.55 2kwp h THR 33 N 0.37 1.24 0.00 0.00 2.02 -1.14 -1.46 112.91 113.93 2kwp h THR 33 Ca 0.11 -0.85 -0.14 0.00 0.77 0.00 0.00 66.41 66.29 2kwp h THR 33 Cb 0.13 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2kwp h THR 33 CO -0.01 0.32 -0.68 0.00 0.37 0.00 0.00 175.52 175.52 2kwp h ALA 34 N 1.04 0.82 0.12 6.16 0.00 -0.57 -2.95 119.26 123.88 2kwp h ALA 34 Ca 0.18 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2kwp h ALA 34 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kwp h ALA 34 CO -0.00 0.85 -0.06 1.15 0.00 0.00 0.00 179.25 181.19 2kwp h THR 35 N 0.00 1.06 -0.12 0.00 2.02 0.12 -2.89 112.91 113.10 2kwp h THR 35 Ca -0.01 -0.82 0.04 0.00 0.77 0.00 0.00 66.41 66.39 2kwp h THR 35 Cb 1.24 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2kwp h THR 35 CO 0.09 0.19 0.09 0.07 0.37 0.00 0.00 175.52 176.33 2kwp h LYS 36 N -0.55 0.00 -0.63 6.66 2.10 -1.33 -0.77 116.57 122.06 2kwp h LYS 36 Ca -0.02 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.66 2kwp h LYS 36 Cb 0.44 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.73 2kwp h LYS 36 CO 0.03 0.00 0.41 0.87 -2.00 0.00 0.00 179.45 178.76 2kwp h LYS 37 N 0.00 0.73 -0.73 0.07 1.57 -1.32 -1.56 116.57 115.33 2kwp h LYS 37 Ca 0.06 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2kwp h LYS 37 Cb 0.24 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 2kwp h LYS 37 CO -0.00 0.48 0.43 -0.22 -0.57 0.00 0.00 179.45 179.58 2kwp h LYS 38 N 0.75 0.79 -0.18 3.15 1.63 -1.10 -1.52 116.57 120.09 2kwp h LYS 38 Ca 0.25 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.87 2kwp h LYS 38 Cb 0.06 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 2kwp h LYS 38 CO -0.07 0.52 -0.45 1.88 -3.45 0.00 0.00 179.45 177.89 2kwp h TYR 39 N 0.82 0.53 -0.39 1.91 0.05 -1.40 -3.46 116.97 115.02 2kwp h TYR 39 Ca 0.31 -0.16 -0.17 0.00 0.05 0.00 0.00 58.73 58.76 2kwp h TYR 39 Cb 0.13 -0.11 -0.07 0.00 1.01 0.00 0.00 36.73 37.69 2kwp h TYR 39 CO -0.05 0.81 -0.15 0.39 -1.05 0.00 0.00 178.16 178.10 2kwp n GLU 40 N -4.00 -1.48 -0.65 4.88 1.02 -0.57 -4.80 120.64 115.03 2kwp n GLU 40 Ca -0.02 0.75 0.05 0.00 -0.02 0.00 0.00 57.16 57.92 2kwp n GLU 40 Cb 0.53 -5.01 0.29 0.00 -0.02 0.00 0.00 31.44 27.22 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 -0.94 3.29 -3.87 3.49 6.02 -1.26 -4.95 117.38 119.16 2kwp n GLN 41 Ca -0.08 -2.98 -0.27 0.00 -0.01 0.00 0.00 57.00 53.65 2kwp n GLN 41 Cb 0.50 -1.98 -0.00 0.00 1.02 0.00 0.00 30.24 29.78 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 -0.32 -2.72 -3.76 -1.09 1.02 -1.26 -4.75 120.64 107.75 2kwp n GLU 42 Ca 0.27 0.42 -0.29 0.00 -0.02 0.00 0.00 57.16 57.54 2kwp n GLU 42 Cb 1.04 -4.38 -0.04 0.00 -0.02 0.00 0.00 31.44 28.05 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 -3.80 5.24 -0.27 -3.67 -4.36 -1.26 -4.53 121.20 108.55 2kwp s ILE 43 Ca 0.14 -0.34 -0.24 0.00 -0.26 0.00 0.00 60.65 59.96 2kwp s ILE 43 Cb -0.05 -3.70 -0.00 0.00 1.25 0.00 0.00 42.46 39.95 2kwp s ILE 43 CO 0.88 -0.07 0.80 -0.62 0.24 0.00 0.00 174.94 176.17 2kwp s ASP 44 N -2.94 6.74 -0.06 4.36 -1.08 -1.26 -4.80 116.67 117.63 2kwp s ASP 44 Ca 0.38 0.84 0.05 0.00 -0.52 0.00 0.00 52.55 53.31 2kwp s ASP 44 Cb -0.12 -2.42 -0.01 0.00 -1.46 0.00 0.00 42.92 38.92 2kwp s ASP 44 CO 0.28 -0.56 -0.23 -0.69 0.52 0.00 0.00 175.17 174.49 2kwp s VAL 45 N 2.89 1.94 -0.16 1.11 1.01 -1.26 -1.94 120.40 123.99 2kwp s VAL 45 Ca 0.33 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2kwp s VAL 45 Cb -0.15 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2kwp s VAL 45 CO 0.10 0.54 -0.13 -0.60 0.00 0.00 0.00 175.10 175.01 2kwp s ARG 46 N -0.04 3.29 -0.12 2.72 6.06 0.61 -4.76 118.95 126.70 2kwp s ARG 46 Ca -0.06 -0.71 0.00 0.00 -2.50 0.00 0.00 55.73 52.46 2kwp s ARG 46 Cb -0.14 -2.69 -0.02 0.00 0.06 0.00 0.00 34.95 32.16 2kwp s ARG 46 CO 0.04 0.04 -0.12 0.14 -2.50 0.00 0.00 175.30 172.89 2kwp s VAL 47 N 0.79 3.12 -0.05 7.11 -7.23 -1.26 0.96 120.40 123.84 2kwp s VAL 47 Ca -0.05 -0.65 0.06 0.00 -1.81 0.00 0.00 61.98 59.53 2kwp s VAL 47 Cb -0.15 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 2kwp s VAL 47 CO 0.01 0.53 -0.22 -1.10 -0.31 0.00 0.00 175.10 174.01 2kwp s GLN 48 N 0.17 2.49 0.11 4.82 -0.21 -0.76 -4.82 119.66 121.45 2kwp s GLN 48 Ca -0.07 -0.85 0.10 0.00 0.02 0.00 0.00 55.36 54.56 2kwp s GLN 48 Cb -0.15 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.62 2kwp s GLN 48 CO 0.05 0.46 -0.25 0.42 -2.12 0.00 0.00 175.29 173.86 2kwp s ILE 49 N -0.36 2.04 -0.23 1.08 1.01 -1.26 -1.51 121.20 121.96 2kwp s ILE 49 Ca 0.02 -1.65 -0.07 0.00 0.00 0.00 0.00 60.65 58.95 2kwp s ILE 49 Cb -0.12 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 2kwp s ILE 49 CO 0.02 0.05 0.06 -1.81 0.00 0.00 0.00 174.94 173.25 2kwp s ASP 50 N -1.95 5.14 0.02 3.58 1.01 0.87 -4.88 116.67 120.47 2kwp s ASP 50 Ca 0.11 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.16 2kwp s ASP 50 Cb -0.10 -1.91 -0.28 0.00 1.01 0.00 0.00 42.92 41.64 2kwp s ASP 50 CO 0.05 0.00 0.93 -0.09 0.21 0.00 0.00 175.17 176.27 2kwp h ARG 51 N 7.96 0.27 -0.26 8.23 2.43 -1.94 2.30 114.38 133.36 2kwp h ARG 51 Ca -0.38 -0.46 0.08 0.00 -0.81 0.00 0.00 59.98 58.41 2kwp h ARG 51 Cb 1.18 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2kwp h ARG 51 CO 0.59 1.15 0.21 0.87 -1.51 0.00 0.00 179.97 181.28 2kwp h LYS 52 N 0.07 0.00 0.00 0.20 6.56 -2.00 -3.27 116.57 118.13 2kwp h LYS 52 Ca -0.22 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.37 2kwp h LYS 52 Cb 2.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.67 2kwp h LYS 52 CO 0.18 0.00 -0.73 0.43 -2.06 0.00 0.00 179.45 177.27 2kwp n SER 53 N -4.24 3.33 -0.20 0.86 7.64 -1.23 -5.06 113.62 114.72 2kwp n SER 53 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2kwp n SER 53 Cb 0.36 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 2.59 0.59 3.54 0.23 0.00 0.77 -4.52 105.19 108.39 2kwp n GLY 54 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.60 5.41 -0.23 1.61 2.15 -0.76 -0.46 116.67 122.78 2kwp s ASP 55 Ca 0.00 -0.07 -0.07 0.00 0.43 0.00 0.00 52.55 52.84 2kwp s ASP 55 Cb 0.00 -1.95 -0.03 0.00 -0.30 0.00 0.00 42.92 40.64 2kwp s ASP 55 CO 0.00 0.06 0.07 0.12 -0.17 0.00 0.00 175.17 175.25 2kwp s PHE 56 N 1.06 3.12 0.12 -5.34 5.36 -1.26 -0.09 117.98 120.94 2kwp s PHE 56 Ca 0.04 -0.29 0.06 0.00 -0.96 0.00 0.00 56.93 55.79 2kwp s PHE 56 Cb -0.14 -2.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.30 2kwp s PHE 56 CO 0.03 -0.23 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.90 2kwp s ASP 57 N 1.31 2.10 -0.09 6.13 1.01 -0.57 -5.01 116.67 121.55 2kwp s ASP 57 Ca 0.05 -0.78 0.04 0.00 0.71 0.00 0.00 52.55 52.58 2kwp s ASP 57 Cb -0.15 -0.09 -0.00 0.00 1.01 0.00 0.00 42.92 43.70 2kwp s ASP 57 CO 0.04 -0.10 -0.23 -0.89 0.21 0.00 0.00 175.17 174.20 2kwp s THR 58 N -1.89 1.98 0.09 -1.27 2.01 -1.26 -1.84 115.64 113.46 2kwp s THR 58 Ca 0.08 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.15 2kwp s THR 58 Cb -0.06 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 2kwp s THR 58 CO 0.04 0.54 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.02 2kwp s PHE 59 N 0.29 1.21 0.13 4.92 0.08 0.27 -1.94 117.98 122.94 2kwp s PHE 59 Ca -0.16 -0.52 0.06 0.00 0.12 0.00 0.00 56.93 56.43 2kwp s PHE 59 Cb -0.17 -0.67 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 2kwp s PHE 59 CO 0.08 0.06 0.00 0.50 -0.10 0.00 0.00 175.22 175.76 2kwp s ARG 60 N -2.13 2.48 0.11 0.44 3.52 0.12 0.22 118.95 123.72 2kwp s ARG 60 Ca 0.02 -0.95 0.06 0.00 -0.13 0.00 0.00 55.73 54.72 2kwp s ARG 60 Cb -0.08 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.82 2kwp s ARG 60 CO 0.02 0.50 -0.15 -0.98 -0.81 0.00 0.00 175.30 173.88 2kwp s ARG 61 N -2.59 1.01 0.05 5.12 1.04 -0.82 -1.18 118.95 121.59 2kwp s ARG 61 Ca 0.26 -1.20 0.01 0.00 -1.04 0.00 0.00 55.73 53.76 2kwp s ARG 61 Cb -0.11 -0.95 -0.03 0.00 -2.04 0.00 0.00 34.95 31.82 2kwp s ARG 61 CO 0.18 0.19 -0.05 -1.58 -0.04 0.00 0.00 175.30 174.01 2kwp s TRP 62 N -1.92 0.55 -0.18 5.89 0.51 0.40 -4.49 118.94 119.71 2kwp s TRP 62 Ca 0.07 -0.76 -0.07 0.00 -2.12 0.00 0.00 56.10 53.22 2kwp s TRP 62 Cb -0.06 -0.36 -0.04 0.00 -0.81 0.00 0.00 33.47 32.20 2kwp s TRP 62 CO 0.03 -0.22 0.04 -1.17 -0.51 0.00 0.00 176.95 175.13 2kwp s LEU 63 N -2.24 3.68 -0.05 2.99 1.98 -1.21 0.17 118.68 124.00 2kwp s LEU 63 Ca -0.02 0.03 -0.30 0.00 -2.89 0.00 0.00 54.13 50.95 2kwp s LEU 63 Cb -0.02 -1.92 -0.06 0.00 0.66 0.00 0.00 46.19 44.85 2kwp s LEU 63 CO -0.04 0.17 1.77 -0.69 -1.89 0.00 0.00 176.35 175.67 2kwp s VAL 64 N 0.37 3.41 0.15 1.68 1.01 0.16 -1.18 120.40 126.00 2kwp s VAL 64 Ca 0.01 0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.55 2kwp s VAL 64 Cb -0.13 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2kwp s VAL 64 CO 0.01 -0.06 -0.15 0.68 0.00 0.00 0.00 175.10 175.58 2kwp s VAL 65 N 4.45 1.52 -0.07 2.92 -7.23 -0.07 -2.79 120.40 119.12 2kwp s VAL 65 Ca 0.79 -1.92 0.11 0.00 -1.81 0.00 0.00 61.98 59.15 2kwp s VAL 65 Cb -0.35 -1.76 -0.23 0.00 0.56 0.00 0.00 36.38 34.59 2kwp s VAL 65 CO 0.33 -0.47 0.56 -0.67 -0.31 0.00 0.00 175.10 174.54 2kwp n ASP 66 N 0.18 0.90 -0.65 4.85 2.03 -1.26 0.14 116.55 122.74 2kwp n ASP 66 Ca -0.13 0.35 0.06 0.00 0.52 0.00 0.00 54.79 55.59 2kwp n ASP 66 Cb 0.58 -0.02 0.14 0.00 -0.72 0.00 0.00 41.12 41.10 2kwp n ASP 66 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2kwp n GLU 67 N -3.05 1.09 0.00 -0.67 2.13 -1.26 -4.66 120.64 114.21 2kwp n GLU 67 Ca -0.20 -2.71 0.00 0.00 0.66 0.00 0.00 57.16 54.91 2kwp n GLU 67 Cb 1.06 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 31.58 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 -0.79 0.00 0.43 6.31 0.31 -1.26 -4.82 118.33 118.51 2kwp n VAL 68 Ca 0.14 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.58 2kwp n VAL 68 Cb 0.77 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.64 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 0.31 0.14 -3.32 2.52 -2.24 -1.26 -4.81 114.28 105.62 2kwp n THR 69 Ca 0.00 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.39 2kwp n THR 69 Cb 0.00 0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.38 2kwp n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2kwp s GLN 70 N -3.27 0.39 0.00 -0.78 0.74 -1.26 -5.00 119.66 110.48 2kwp s GLN 70 Ca 0.01 0.35 0.14 0.00 0.05 0.00 0.00 55.36 55.91 2kwp s GLN 70 Cb 0.14 -0.36 0.79 0.00 1.10 0.00 0.00 33.01 34.68 2kwp s GLN 70 CO 0.84 -0.83 1.33 -0.35 -0.55 0.00 0.00 175.29 175.73 2kwp n PRO 71 N 5.36 0.33 0.21 1.67 -0.04 -1.26 -0.75 135.00 140.52 2kwp n PRO 71 Ca -0.01 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2kwp n PRO 71 Cb 0.50 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.15 0.00 0.52 1.35 -1.91 -3.36 112.91 109.65 2kwp h THR 72 Ca 0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 2kwp h THR 72 Cb 0.07 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2kwp h THR 72 CO 0.00 0.08 -0.18 1.17 -0.25 0.00 0.00 175.52 176.35 2kwp n LYS 73 N -3.12 0.00 -4.09 4.72 4.81 -1.03 -3.97 118.16 115.48 2kwp n LYS 73 Ca 0.04 -0.48 -0.14 0.00 -0.87 0.00 0.00 58.31 56.86 2kwp n LYS 73 Cb 0.56 -0.30 -0.13 0.00 0.02 0.00 0.00 35.03 35.18 2kwp n LYS 73 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2kwp s GLU 74 N 0.00 0.47 -0.08 1.64 2.02 0.07 -3.31 118.70 119.50 2kwp s GLU 74 Ca 0.00 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 54.51 2kwp s GLU 74 Cb 0.00 -0.31 0.00 0.00 0.10 0.00 0.00 34.13 33.92 2kwp s GLU 74 CO 0.00 0.07 -0.21 -1.50 0.02 0.00 0.00 175.26 173.63 2kwp s ILE 75 N -0.89 1.82 0.53 -1.63 2.07 -0.32 -4.28 121.20 118.50 2kwp s ILE 75 Ca -0.06 -0.89 -0.22 0.00 -1.41 0.00 0.00 60.65 58.08 2kwp s ILE 75 Cb -0.07 -1.58 -0.06 0.00 0.13 0.00 0.00 42.46 40.89 2kwp s ILE 75 CO 0.00 0.51 1.23 0.35 -1.91 0.00 0.00 174.94 175.12 2kwp n THR 76 N 3.46 3.53 -0.11 4.00 -2.24 -1.26 -0.89 114.28 120.76 2kwp n THR 76 Ca -0.19 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.03 2kwp n THR 76 Cb 0.53 -1.49 0.02 0.00 -2.10 0.00 0.00 70.33 67.29 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 1.31 -0.08 -0.31 3.22 5.85 0.93 -1.08 115.31 125.15 2kwp h LEU 77 Ca -0.49 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.37 2kwp h LEU 77 Cb 1.32 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.41 2kwp h LEU 77 CO 0.56 -0.01 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.46 2kwp h GLU 78 N 0.14 -0.04 -0.90 1.25 4.81 -1.89 -0.55 114.58 117.39 2kwp h GLU 78 Ca 0.18 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 2kwp h GLU 78 Cb 0.23 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 2kwp h GLU 78 CO -0.27 -0.03 0.56 0.00 -0.73 0.00 0.00 179.01 178.54 2kwp h ALA 79 N 1.24 1.25 -0.92 2.92 0.00 -1.72 -0.80 119.26 121.23 2kwp h ALA 79 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2kwp h ALA 79 Cb 0.28 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2kwp h ALA 79 CO -0.35 0.31 0.61 0.00 0.00 0.00 0.00 179.25 179.82 2kwp h ALA 80 N 1.43 1.37 -0.44 0.00 0.00 0.11 -1.96 119.26 119.76 2kwp h ALA 80 Ca 0.40 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2kwp h ALA 80 Cb 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2kwp h ALA 80 CO -0.18 0.56 0.12 0.00 0.00 0.00 0.00 179.25 179.75 2kwp h ARG 81 N 1.21 0.69 -0.35 0.00 3.08 -0.09 0.27 114.38 119.18 2kwp h ARG 81 Ca 0.35 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 60.28 2kwp h ARG 81 Cb -0.08 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 2kwp h ARG 81 CO -0.09 0.68 0.13 1.88 -1.07 0.00 0.00 179.97 181.50 2kwp h TYR 82 N 0.57 0.24 0.00 3.04 0.05 -0.70 0.15 116.97 120.31 2kwp h TYR 82 Ca 0.14 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.82 2kwp h TYR 82 Cb 0.29 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 2kwp h TYR 82 CO 0.02 0.11 -0.53 0.93 -1.05 0.00 0.00 178.16 177.63 2kwp h GLU 83 N 0.29 0.00 -0.41 4.88 4.39 -1.17 -3.42 114.58 119.13 2kwp h GLU 83 Ca 0.16 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.02 2kwp h GLU 83 Cb 0.12 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 28.58 2kwp h GLU 83 CO -0.15 0.53 -0.11 -0.51 -1.16 0.00 0.00 179.01 177.61 2kwp s ASP 84 N -6.82 -0.67 0.63 1.42 1.01 0.94 -4.99 116.67 108.20 2kwp s ASP 84 Ca -0.02 0.02 0.27 0.00 0.71 0.00 0.00 52.55 53.54 2kwp s ASP 84 Cb 0.13 1.34 1.44 0.00 1.01 0.00 0.00 42.92 46.84 2kwp s ASP 84 CO 0.74 -0.12 1.83 -0.33 0.21 0.00 0.00 175.17 177.51 2kwp h GLU 85 N 7.19 0.00 0.00 8.23 5.08 -0.91 0.81 114.58 134.98 2kwp h GLU 85 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2kwp h GLU 85 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kwp h GLU 85 CO -0.04 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.84 2kwp n SER 86 N -3.20 0.00 -4.82 1.42 3.41 -1.26 -4.68 113.62 104.49 2kwp n SER 86 Ca 0.03 0.37 -0.35 0.00 -0.26 0.00 0.00 58.87 58.66 2kwp n SER 86 Cb 0.57 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.86 4.29 0.00 1.04 1.43 0.28 -5.07 118.68 117.79 2kwp s LEU 87 Ca 0.08 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.54 2kwp s LEU 87 Cb 0.08 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 2kwp s LEU 87 CO 0.21 -0.00 0.05 -0.46 0.23 0.00 0.00 176.35 176.37 2kwp n ASN 88 N 0.53 -0.12 -4.65 2.29 6.94 -1.26 -4.61 115.26 114.38 2kwp n ASN 88 Ca -0.02 -1.29 -0.43 0.00 -0.02 0.00 0.00 54.58 52.83 2kwp n ASN 88 Cb 0.51 0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 38.17 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 4.14 0.00 -4.53 2.01 -1.26 -2.31 118.68 116.73 2kwp s LEU 89 Ca 0.05 1.88 0.00 0.00 0.01 0.00 0.00 54.13 56.07 2kwp s LEU 89 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.67 2kwp s LEU 89 CO 0.04 -1.01 0.00 0.61 1.01 0.00 0.00 176.35 177.00 2kwp n GLY 90 N 4.20 0.76 3.93 -3.19 0.00 -1.12 -5.02 105.19 104.75 2kwp n GLY 90 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.44 6.00 -0.08 1.61 1.01 -0.98 -4.86 116.67 117.93 2kwp s ASP 91 Ca 0.00 -0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.16 2kwp s ASP 91 Cb 0.00 -1.57 -0.03 0.00 1.01 0.00 0.00 42.92 42.33 2kwp s ASP 91 CO 0.00 -0.16 -0.03 -0.31 0.21 0.00 0.00 175.17 174.88 2kwp s TYR 92 N -2.08 3.04 -0.13 4.23 2.02 -1.26 0.35 117.35 123.53 2kwp s TYR 92 Ca 0.37 0.09 -0.10 0.00 -0.37 0.00 0.00 57.07 57.06 2kwp s TYR 92 Cb -0.09 -1.75 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 2kwp s TYR 92 CO 0.28 0.38 0.19 0.08 -1.57 0.00 0.00 175.55 174.92 2kwp s VAL 93 N -0.81 5.40 0.11 0.71 1.01 0.44 -4.84 120.40 122.42 2kwp s VAL 93 Ca 0.12 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.48 2kwp s VAL 93 Cb -0.11 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2kwp s VAL 93 CO 0.02 0.54 0.07 -1.61 0.00 0.00 0.00 175.10 174.12 2kwp s GLU 94 N -0.52 2.78 -0.05 2.72 2.02 -1.26 -0.46 118.70 123.93 2kwp s GLU 94 Ca 0.15 -0.79 -0.31 0.00 0.02 0.00 0.00 54.97 54.04 2kwp s GLU 94 Cb -0.13 -2.64 0.07 0.00 0.10 0.00 0.00 34.13 31.53 2kwp s GLU 94 CO 0.04 0.53 0.70 0.34 0.02 0.00 0.00 175.26 176.89 2kwp s ASP 95 N -2.58 -0.64 -0.01 -0.19 2.15 -0.32 -4.98 116.67 110.10 2kwp s ASP 95 Ca 0.29 0.68 -0.22 0.00 0.43 0.00 0.00 52.55 53.73 2kwp s ASP 95 Cb -0.11 0.53 -0.05 0.00 -0.30 0.00 0.00 42.92 42.98 2kwp s ASP 95 CO 0.21 -0.60 0.64 -1.58 -0.17 0.00 0.00 175.17 173.67 2kwp s GLN 96 N -1.25 4.38 0.11 4.34 0.74 -1.26 0.14 119.66 126.85 2kwp s GLN 96 Ca -0.10 0.82 0.03 0.00 0.05 0.00 0.00 55.36 56.16 2kwp s GLN 96 Cb -0.00 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.70 2kwp s GLN 96 CO 0.09 0.30 -0.08 0.96 -0.55 0.00 0.00 175.29 176.00 2kwp s ILE 97 N 0.02 0.87 0.98 -2.34 -4.36 -0.82 -4.80 121.20 110.76 2kwp s ILE 97 Ca 0.33 -1.87 -0.14 0.00 -0.26 0.00 0.00 60.65 58.71 2kwp s ILE 97 Cb -0.18 -1.62 0.06 0.00 1.25 0.00 0.00 42.46 41.97 2kwp s ILE 97 CO 0.18 -0.75 0.40 -0.62 0.24 0.00 0.00 174.94 174.39 2kwp n GLU 98 N 0.10 -0.58 -4.38 0.37 1.02 -1.26 -4.34 120.64 111.57 2kwp n GLU 98 Ca -0.13 -0.13 -0.25 0.00 -0.02 0.00 0.00 57.16 56.63 2kwp n GLU 98 Cb 0.60 -1.87 -0.12 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.04 3.12 0.60 1.62 0.01 -1.26 -4.73 113.70 111.02 2kwp s SER 99 Ca 0.58 -0.85 0.36 0.00 1.31 0.00 0.00 55.95 57.34 2kwp s SER 99 Cb -0.20 -0.21 1.90 0.00 0.21 0.00 0.00 66.02 67.72 2kwp s SER 99 CO 0.67 0.07 2.21 0.58 0.41 0.00 0.00 173.24 177.17 2kwp h VAL 100 N 3.30 0.24 -1.93 3.43 2.07 -1.93 -3.48 116.25 117.94 2kwp h VAL 100 Ca -0.45 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2kwp h VAL 100 Cb 1.20 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2kwp h VAL 100 CO 0.48 0.03 -0.33 0.41 0.02 0.00 0.00 177.57 178.18 2kwp n THR 101 N -3.36 -5.00 -0.10 2.57 -1.04 -1.26 -4.32 114.28 101.77 2kwp n THR 101 Ca -0.02 1.11 -0.03 0.00 -2.04 0.00 0.00 64.05 63.07 2kwp n THR 101 Cb 0.16 -2.81 0.19 0.00 -1.82 0.00 0.00 70.33 66.05 2kwp n THR 101 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2kwp h PHE 102 N 1.36 0.80 -0.18 -1.42 3.57 -1.93 -2.07 116.94 117.07 2kwp h PHE 102 Ca 0.00 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 2kwp h PHE 102 Cb 0.00 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 2kwp h PHE 102 CO 0.00 0.72 0.07 -0.44 -2.23 0.00 0.00 178.31 176.42 2kwp h ASP 103 N 0.73 0.22 -0.93 0.41 3.32 -1.97 -1.67 116.42 116.53 2kwp h ASP 103 Ca 0.15 -0.01 0.20 0.00 0.02 0.00 0.00 57.03 57.39 2kwp h ASP 103 Cb 0.36 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.78 2kwp h ASP 103 CO 0.01 0.21 0.61 -0.09 -1.72 0.00 0.00 179.24 178.26 2kwp h ARG 104 N 0.25 0.45 -6.19 3.56 2.43 -1.56 -3.41 114.38 109.91 2kwp h ARG 104 Ca 0.07 -0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 58.64 2kwp h ARG 104 Cb 0.06 -0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 29.40 2kwp h ARG 104 CO -0.01 0.30 -0.67 0.96 -1.51 0.00 0.00 179.97 179.04 2kwp s ILE 105 N -5.49 3.15 0.75 1.20 -4.36 -0.63 -5.12 121.20 110.69 2kwp s ILE 105 Ca -0.09 -2.04 -0.11 0.00 -0.26 0.00 0.00 60.65 58.15 2kwp s ILE 105 Cb 0.23 -2.71 0.04 0.00 1.25 0.00 0.00 42.46 41.28 2kwp s ILE 105 CO 0.79 -0.37 1.08 0.42 0.24 0.00 0.00 174.94 177.10 2kwp s THR 106 N -2.39 3.45 0.22 8.37 -4.23 -1.26 -4.91 115.64 114.89 2kwp s THR 106 Ca 0.31 0.47 -0.04 0.00 -1.18 0.00 0.00 61.69 61.25 2kwp s THR 106 Cb -0.06 -3.24 0.07 0.00 1.34 0.00 0.00 72.50 70.61 2kwp s THR 106 CO 0.19 -0.61 1.68 0.74 -0.54 0.00 0.00 174.62 176.07 2kwp h THR 107 N -0.92 1.26 -0.28 3.99 2.02 -1.95 -2.58 112.91 114.45 2kwp h THR 107 Ca -0.46 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 65.50 2kwp h THR 107 Cb 1.25 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 2kwp h THR 107 CO 0.59 0.41 0.02 1.56 0.37 0.00 0.00 175.52 178.47 2kwp h GLN 108 N 0.76 0.41 -0.89 6.66 4.20 -2.00 -2.23 115.11 122.03 2kwp h GLN 108 Ca 0.13 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.79 2kwp h GLN 108 Cb 0.60 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 2kwp h GLN 108 CO 0.04 0.43 0.58 1.15 -0.67 0.00 0.00 178.83 180.36 2kwp h THR 109 N 0.41 1.16 -0.00 -0.54 2.02 -1.83 -1.21 112.91 112.91 2kwp h THR 109 Ca 0.09 -0.39 -0.12 0.00 0.77 0.00 0.00 66.41 66.77 2kwp h THR 109 Cb 0.24 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 2kwp h THR 109 CO 0.00 0.21 -0.55 0.00 0.37 0.00 0.00 175.52 175.55 2kwp h ALA 110 N 1.36 1.08 -0.19 6.16 0.00 -1.42 -2.85 119.26 123.41 2kwp h ALA 110 Ca 0.35 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2kwp h ALA 110 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2kwp h ALA 110 CO -0.11 0.69 -0.04 0.87 0.00 0.00 0.00 179.25 180.66 2kwp h LYS 111 N 0.00 0.28 -0.54 0.00 1.57 -0.84 -2.01 116.57 115.03 2kwp h LYS 111 Ca -0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 2kwp h LYS 111 Cb 0.98 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2kwp h LYS 111 CO 0.07 0.34 0.07 1.96 -0.57 0.00 0.00 179.45 181.33 2kwp h GLN 112 N 0.27 0.86 -0.14 3.15 4.20 -1.22 -2.16 115.11 120.07 2kwp h GLN 112 Ca 0.06 -0.20 -0.17 0.00 0.06 0.00 0.00 58.65 58.40 2kwp h GLN 112 Cb 0.26 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2kwp h GLN 112 CO 0.01 0.81 -0.62 0.28 -0.67 0.00 0.00 178.83 178.64 2kwp h VAL 113 N 0.81 1.34 -0.52 -0.54 2.07 -1.45 -2.00 116.25 115.96 2kwp h VAL 113 Ca 0.17 -1.92 -0.03 0.00 0.82 0.00 0.00 66.70 65.73 2kwp h VAL 113 Cb 0.38 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2kwp h VAL 113 CO 0.01 0.59 0.20 0.40 0.02 0.00 0.00 177.57 178.79 2kwp h ILE 114 N 0.36 1.22 -0.28 4.57 2.04 -1.04 0.57 117.51 124.94 2kwp h ILE 114 Ca -0.01 -0.68 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 2kwp h ILE 114 Cb 1.17 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2kwp h ILE 114 CO 0.11 0.26 -0.20 0.58 0.00 0.00 0.00 178.15 178.90 2kwp h VAL 115 N 0.70 1.30 -0.60 1.67 2.07 -1.36 0.28 116.25 120.31 2kwp h VAL 115 Ca 0.17 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 2kwp h VAL 115 Cb 0.20 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2kwp h VAL 115 CO -0.01 0.43 0.29 1.56 0.02 0.00 0.00 177.57 179.85 2kwp h GLN 116 N 0.38 0.87 -0.27 1.57 4.20 -1.19 -1.08 115.11 119.58 2kwp h GLN 116 Ca 0.05 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 2kwp h GLN 116 Cb 0.75 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2kwp h GLN 116 CO 0.05 0.70 -0.46 -0.22 -0.67 0.00 0.00 178.83 178.23 2kwp h LYS 117 N 0.82 0.70 -0.20 1.46 3.64 -0.82 -2.90 116.57 119.27 2kwp h LYS 117 Ca 0.21 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 2kwp h LYS 117 Cb 0.12 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2kwp h LYS 117 CO -0.03 1.01 -0.11 0.28 -2.27 0.00 0.00 179.45 178.33 2kwp h VAL 118 N 0.56 1.19 -0.30 2.00 2.07 -0.58 -2.24 116.25 118.95 2kwp h VAL 118 Ca 0.03 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 2kwp h VAL 118 Cb 1.01 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2kwp h VAL 118 CO 0.10 0.27 -0.16 0.03 0.02 0.00 0.00 177.57 177.83 2kwp h ARG 119 N 0.31 0.53 -0.08 1.57 2.47 -1.01 -2.41 114.38 115.76 2kwp h ARG 119 Ca 0.06 -0.17 -0.10 0.00 -1.26 0.00 0.00 59.98 58.52 2kwp h ARG 119 Cb 0.40 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 2kwp h ARG 119 CO 0.02 0.67 -0.40 0.93 0.56 0.00 0.00 179.97 181.76 2kwp h GLU 120 N 0.48 0.16 -0.45 0.04 5.08 -1.32 -2.76 114.58 115.81 2kwp h GLU 120 Ca 0.08 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2kwp h GLU 120 Cb 0.55 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2kwp h GLU 120 CO 0.04 0.54 -0.09 0.00 -1.00 0.00 0.00 179.01 178.50 2kwp h ALA 121 N 1.46 0.99 -0.21 3.43 0.00 -1.22 -2.58 119.26 121.12 2kwp h ALA 121 Ca 0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2kwp h ALA 121 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kwp h ALA 121 CO 0.06 0.60 -0.23 1.49 0.00 0.00 0.00 179.25 181.17 2kwp h GLU 122 N 0.73 0.39 -0.84 0.00 4.81 -1.31 -2.77 114.58 115.59 2kwp h GLU 122 Ca 0.13 -0.13 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 2kwp h GLU 122 Cb 0.57 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 2kwp h GLU 122 CO 0.04 0.60 0.50 -0.09 -0.73 0.00 0.00 179.01 179.32 2kwp h ARG 123 N 0.35 0.82 -4.39 1.92 2.43 -1.27 -3.28 114.38 110.96 2kwp h ARG 123 Ca 0.06 -0.05 -0.74 0.00 -0.81 0.00 0.00 59.98 58.44 2kwp h ARG 123 Cb 0.60 -0.18 -0.22 0.00 -0.42 0.00 0.00 29.97 29.74 2kwp h ARG 123 CO 0.04 0.54 0.34 0.00 -1.51 0.00 0.00 179.97 179.39 2kwp s ALA 124 N -6.03 3.72 0.33 2.80 0.00 -1.04 -4.85 121.76 116.68 2kwp s ALA 124 Ca -0.12 -2.94 0.16 0.00 0.00 0.00 0.00 51.96 49.06 2kwp s ALA 124 Cb 0.19 -3.70 0.82 0.00 0.00 0.00 0.00 23.12 20.44 2kwp s ALA 124 CO 0.79 -2.52 1.84 0.52 0.00 0.00 0.00 175.76 176.38 2kwp h MET 125 N 8.40 0.00 -0.54 0.00 2.86 -1.76 -2.71 114.93 121.18 2kwp h MET 125 Ca 0.05 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2kwp h MET 125 Cb 1.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 2kwp h MET 125 CO 0.94 0.34 0.12 -0.07 1.06 0.00 0.00 176.91 179.29 2kwp h LEU 126 N 0.00 0.78 -9.71 1.22 3.38 -1.93 -3.43 115.31 105.62 2kwp h LEU 126 Ca -0.00 -0.15 -0.57 0.00 0.09 0.00 0.00 57.88 57.25 2kwp h LEU 126 Cb 0.67 -0.20 0.11 0.00 0.09 0.00 0.00 40.66 41.33 2kwp h LEU 126 CO 0.04 0.78 0.42 0.55 0.09 0.00 0.00 178.44 180.33 2kwp n VAL 127 N -4.27 2.11 -2.23 1.22 3.14 -1.02 -4.92 118.33 112.36 2kwp n VAL 127 Ca 0.04 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.54 2kwp n VAL 127 Cb 0.24 -1.46 -0.01 0.00 -1.06 0.00 0.00 33.84 31.55 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 -1.89 3.80 0.00 1.45 0.04 -1.26 -5.05 135.00 132.09 2kwp s PRO 128 Ca 0.57 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2kwp s PRO 128 Cb -0.58 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2kwp s PRO 128 CO 0.61 -0.53 0.00 0.54 0.04 0.00 0.00 177.00 177.66