#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 5.90 0.33 6.12 0.02 0.61 -4.90 114.94 123.02 2kwp s ASN 2 Ca 0.00 -0.54 0.08 0.00 -1.02 0.00 0.00 52.86 51.38 2kwp s ASN 2 Cb 0.00 -2.09 0.59 0.00 0.02 0.00 0.00 41.25 39.76 2kwp s ASN 2 CO 0.00 -0.26 1.78 0.11 0.02 0.00 0.00 177.10 178.75 2kwp h LYS 3 N 8.46 0.20 -0.99 -0.60 1.57 -1.88 -2.73 116.57 120.60 2kwp h LYS 3 Ca -0.31 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.41 2kwp h LYS 3 Cb 1.15 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.39 2kwp h LYS 3 CO 0.64 0.51 0.66 1.49 -0.57 0.00 0.00 179.45 182.18 2kwp h GLU 4 N 0.18 1.29 -0.06 3.15 4.81 -1.97 0.42 114.58 122.39 2kwp h GLU 4 Ca 0.02 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2kwp h GLU 4 Cb 0.67 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 2kwp h GLU 4 CO 0.05 0.85 0.01 0.82 -0.73 0.00 0.00 179.01 180.01 2kwp h ILE 5 N 1.33 1.22 -0.06 2.32 2.04 -1.88 0.48 117.51 122.95 2kwp h ILE 5 Ca 0.37 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 2kwp h ILE 5 Cb -0.12 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2kwp h ILE 5 CO -0.09 0.18 -0.34 -0.07 0.00 0.00 0.00 178.15 177.83 2kwp h LEU 6 N -0.15 0.11 -0.47 1.44 3.38 -1.37 -2.46 115.31 115.79 2kwp h LEU 6 Ca 0.02 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2kwp h LEU 6 Cb 0.28 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2kwp h LEU 6 CO 0.00 0.45 -0.62 0.00 0.09 0.00 0.00 178.44 178.36 2kwp h ALA 7 N 1.56 0.65 -0.10 1.53 0.00 0.10 -2.85 119.26 120.15 2kwp h ALA 7 Ca 0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 2kwp h ALA 7 Cb 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kwp h ALA 7 CO 0.05 0.71 -0.42 0.28 0.00 0.00 0.00 179.25 179.87 2kwp h VAL 8 N 0.37 1.31 -0.25 0.00 2.07 -0.56 -2.58 116.25 116.61 2kwp h VAL 8 Ca -0.01 -1.53 -0.13 0.00 0.82 0.00 0.00 66.70 65.85 2kwp h VAL 8 Cb 1.18 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 2kwp h VAL 8 CO 0.11 0.46 -0.39 0.58 0.02 0.00 0.00 177.57 178.35 2kwp h VAL 9 N 0.19 1.30 -0.08 2.57 2.07 -1.33 -2.50 116.25 118.46 2kwp h VAL 9 Ca 0.02 -1.55 -0.12 0.00 0.82 0.00 0.00 66.70 65.86 2kwp h VAL 9 Cb 0.82 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2kwp h VAL 9 CO 0.06 0.49 -0.51 -0.33 0.02 0.00 0.00 177.57 177.31 2kwp h GLU 10 N 0.49 0.22 -0.13 1.57 5.08 -1.28 -0.46 114.58 120.07 2kwp h GLU 10 Ca 0.04 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 2kwp h GLU 10 Cb 0.90 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2kwp h GLU 10 CO 0.08 0.68 -0.53 0.00 -1.00 0.00 0.00 179.01 178.23 2kwp h ALA 11 N 1.30 0.84 0.00 3.43 0.00 -1.25 -1.73 119.26 121.85 2kwp h ALA 11 Ca 0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2kwp h ALA 11 Cb 0.96 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2kwp h ALA 11 CO 0.08 0.68 -1.08 0.28 0.00 0.00 0.00 179.25 179.20 2kwp h VAL 12 N 0.30 1.46 -0.15 0.00 2.07 -1.27 -2.55 116.25 116.11 2kwp h VAL 12 Ca 0.01 -3.15 -0.20 0.00 0.82 0.00 0.00 66.70 64.17 2kwp h VAL 12 Cb 1.03 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 2kwp h VAL 12 CO 0.09 0.83 -0.72 -1.28 0.02 0.00 0.00 177.57 176.51 2kwp h SER 13 N 0.00 0.78 0.23 0.57 0.87 -0.98 0.88 113.55 115.90 2kwp h SER 13 Ca -0.06 -0.49 -0.23 0.00 -1.23 0.00 0.00 61.79 59.78 2kwp h SER 13 Cb 1.77 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 63.51 2kwp h SER 13 CO 0.11 1.27 -0.94 0.78 -0.53 0.00 0.00 176.83 177.52 2kwp h ASN 14 N 0.46 0.63 -0.02 6.23 2.35 -1.39 0.89 115.58 124.73 2kwp h ASN 14 Ca -0.03 -0.49 -0.08 0.00 -0.55 0.00 0.00 56.30 55.14 2kwp h ASN 14 Cb 1.32 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 39.51 2kwp h ASN 14 CO 0.14 1.29 -0.30 -0.08 -1.65 0.00 0.00 177.43 176.83 2kwp h GLU 15 N 0.29 0.25 -0.04 0.81 4.81 -1.46 -3.23 114.58 116.01 2kwp h GLU 15 Ca -0.09 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2kwp h GLU 15 Cb 1.58 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.01 2kwp h GLU 15 CO 0.17 0.92 0.00 1.63 -0.73 0.00 0.00 179.01 181.00 2kwp n LYS 16 N -4.46 1.84 -4.28 1.92 5.02 0.30 -4.93 118.16 113.56 2kwp n LYS 16 Ca -0.09 -1.22 -0.36 0.00 -2.02 0.00 0.00 58.31 54.62 2kwp n LYS 16 Cb 0.51 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.48 -1.43 -2.50 7.82 0.00 0.31 -4.93 120.51 120.25 2kwp n ALA 17 Ca 0.18 -0.14 -0.26 0.00 0.00 0.00 0.00 53.44 53.22 2kwp n ALA 17 Cb 0.41 -2.68 -0.09 0.00 0.00 0.00 0.00 19.45 17.10 2kwp n ALA 17 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2kwp s LEU 18 N -7.24 3.03 0.12 0.00 0.05 -1.00 -5.01 118.68 108.62 2kwp s LEU 18 Ca 0.59 -1.19 -0.31 0.00 0.05 0.00 0.00 54.13 53.27 2kwp s LEU 18 Cb -0.33 -1.24 -0.08 0.00 -2.05 0.00 0.00 46.19 42.49 2kwp s LEU 18 CO 0.96 -0.52 1.43 -2.16 -0.55 0.00 0.00 176.35 175.51 2kwp s PRO 19 N -3.84 4.29 0.31 1.48 0.04 -1.26 -4.61 135.00 131.41 2kwp s PRO 19 Ca 0.39 2.13 0.07 0.00 0.04 0.00 0.00 61.00 63.63 2kwp s PRO 19 Cb 0.06 -3.26 0.77 0.00 0.04 0.00 0.00 34.50 32.11 2kwp s PRO 19 CO 0.21 -0.49 1.78 0.00 0.04 0.00 0.00 177.00 178.55 2kwp h ARG 20 N 6.90 0.72 -0.55 4.56 3.08 -1.96 -0.79 114.38 126.35 2kwp h ARG 20 Ca -0.42 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 59.70 2kwp h ARG 20 Cb 1.21 -0.16 -0.11 0.00 0.08 0.00 0.00 29.97 30.99 2kwp h ARG 20 CO 0.88 0.48 -0.20 1.49 -1.07 0.00 0.00 179.97 181.55 2kwp h GLU 21 N 0.74 -0.06 -0.46 0.04 4.57 -1.98 0.13 114.58 117.56 2kwp h GLU 21 Ca 0.57 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.83 2kwp h GLU 21 Cb 0.92 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.46 2kwp h GLU 21 CO -0.36 -0.04 0.10 -0.22 -1.18 0.00 0.00 179.01 177.31 2kwp h LYS 22 N -0.07 0.24 -0.31 1.92 1.63 -1.53 -1.48 116.57 116.97 2kwp h LYS 22 Ca 0.26 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.08 2kwp h LYS 22 Cb 0.46 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.00 2kwp h LYS 22 CO -0.60 0.16 0.07 0.82 -3.45 0.00 0.00 179.45 176.45 2kwp h ILE 23 N 0.24 0.86 -0.86 2.00 2.04 -0.76 -0.25 117.51 120.78 2kwp h ILE 23 Ca 0.22 -0.07 0.19 0.00 1.00 0.00 0.00 64.86 66.21 2kwp h ILE 23 Cb 0.28 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 2kwp h ILE 23 CO -0.28 0.04 0.57 -0.26 0.00 0.00 0.00 178.15 178.22 2kwp h PHE 24 N 0.19 0.49 -0.71 1.37 0.04 0.03 0.24 116.94 118.59 2kwp h PHE 24 Ca 0.15 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.89 2kwp h PHE 24 Cb 0.15 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2kwp h PHE 24 CO -0.17 0.14 0.29 1.49 -0.60 0.00 0.00 178.31 179.46 2kwp h GLU 25 N 0.38 1.04 -0.27 1.51 4.81 -0.35 0.16 114.58 121.85 2kwp h GLU 25 Ca 0.44 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 2kwp h GLU 25 Cb 1.12 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 2kwp h GLU 25 CO -0.15 0.84 -0.16 0.00 -0.73 0.00 0.00 179.01 178.81 2kwp h ALA 26 N 1.29 0.39 -0.43 2.92 0.00 -0.35 -0.94 119.26 122.15 2kwp h ALA 26 Ca 0.24 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2kwp h ALA 26 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kwp h ALA 26 CO -0.02 0.29 -0.14 -0.07 0.00 0.00 0.00 179.25 179.31 2kwp h LEU 27 N 0.32 0.78 -0.90 0.00 4.07 -1.07 -2.05 115.31 116.47 2kwp h LEU 27 Ca 0.06 -0.25 -0.11 0.00 0.08 0.00 0.00 57.88 57.66 2kwp h LEU 27 Cb 0.69 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 2kwp h LEU 27 CO 0.05 0.93 -0.43 -0.33 -1.08 0.00 0.00 178.44 177.58 2kwp h GLU 28 N 0.70 0.25 -0.09 1.13 5.08 -0.59 -1.92 114.58 119.15 2kwp h GLU 28 Ca 0.11 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2kwp h GLU 28 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2kwp h GLU 28 CO 0.04 0.64 -0.59 0.77 -1.00 0.00 0.00 179.01 178.88 2kwp h SER 29 N 0.21 0.33 0.62 1.42 0.02 -0.80 -2.08 113.55 113.27 2kwp h SER 29 Ca 0.02 -0.18 -0.18 0.00 -0.84 0.00 0.00 61.79 60.60 2kwp h SER 29 Cb 0.85 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2kwp h SER 29 CO 0.07 0.84 -0.82 0.00 -1.14 0.00 0.00 176.83 175.78 2kwp h ALA 30 N 1.16 0.61 -0.12 3.77 0.00 -1.14 0.45 119.26 123.99 2kwp h ALA 30 Ca -0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 2kwp h ALA 30 Cb 1.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2kwp h ALA 30 CO 0.09 0.92 -0.29 -0.07 0.00 0.00 0.00 179.25 179.90 2kwp h LEU 31 N 0.08 0.46 -0.01 0.00 4.07 -1.23 -2.10 115.31 116.58 2kwp h LEU 31 Ca -0.03 -0.58 -0.07 0.00 0.08 0.00 0.00 57.88 57.28 2kwp h LEU 31 Cb 1.43 -0.13 0.01 0.00 1.08 0.00 0.00 40.66 43.05 2kwp h LEU 31 CO 0.12 0.95 -0.28 0.00 -1.08 0.00 0.00 178.44 178.15 2kwp h ALA 32 N 0.52 0.05 -0.76 1.53 0.00 -1.42 -0.39 119.26 118.79 2kwp h ALA 32 Ca -0.00 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.54 2kwp h ALA 32 Cb 0.89 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 2kwp h ALA 32 CO 0.06 0.11 0.39 1.15 0.00 0.00 0.00 179.25 180.97 2kwp h THR 33 N -0.42 0.84 -0.04 0.00 2.02 -1.00 -0.94 112.91 113.37 2kwp h THR 33 Ca -0.03 -0.22 -0.18 0.00 0.77 0.00 0.00 66.41 66.75 2kwp h THR 33 Cb 1.02 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2kwp h THR 33 CO 0.06 0.12 -0.67 0.00 0.37 0.00 0.00 175.52 175.39 2kwp h ALA 34 N 1.46 0.13 -0.96 6.16 0.00 -1.42 -3.21 119.26 121.42 2kwp h ALA 34 Ca 0.38 -0.58 0.14 0.00 0.00 0.00 0.00 54.91 54.85 2kwp h ALA 34 Cb 0.42 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 2kwp h ALA 34 CO -0.28 0.45 0.61 1.15 0.00 0.00 0.00 179.25 181.17 2kwp h THR 35 N 0.10 0.86 -0.56 0.00 2.02 -0.45 -1.01 112.91 113.86 2kwp h THR 35 Ca -0.07 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 2kwp h THR 35 Cb 1.35 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2kwp h THR 35 CO 0.13 0.15 0.24 0.11 0.37 0.00 0.00 175.52 176.53 2kwp h LYS 36 N 0.84 0.83 -0.49 6.66 1.57 -1.20 -2.23 116.57 122.55 2kwp h LYS 36 Ca 0.49 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 59.18 2kwp h LYS 36 Cb 0.63 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2kwp h LYS 36 CO -0.25 0.71 0.33 0.87 -0.57 0.00 0.00 179.45 180.53 2kwp h LYS 37 N 0.77 0.44 -0.87 3.15 6.56 -1.20 -0.44 116.57 124.98 2kwp h LYS 37 Ca 0.19 -0.03 0.07 0.00 -1.06 0.00 0.00 60.65 59.82 2kwp h LYS 37 Cb 0.17 -0.10 -0.06 0.00 -0.57 0.00 0.00 32.23 31.68 2kwp h LYS 37 CO -0.02 0.29 0.57 0.87 -2.06 0.00 0.00 179.45 179.10 2kwp h LYS 38 N 0.46 0.93 0.18 3.15 1.57 -1.08 -2.50 116.57 119.28 2kwp h LYS 38 Ca 0.21 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.70 2kwp h LYS 38 Cb 0.25 -0.21 0.03 0.00 0.08 0.00 0.00 32.23 32.38 2kwp h LYS 38 CO -0.05 0.61 -1.04 1.88 -0.57 0.00 0.00 179.45 180.28 2kwp h TYR 39 N 0.96 0.68 -0.34 -1.35 0.05 -1.14 -3.47 116.97 112.36 2kwp h TYR 39 Ca 0.38 -0.50 -0.15 0.00 0.05 0.00 0.00 58.73 58.51 2kwp h TYR 39 Cb 0.24 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 37.89 2kwp h TYR 39 CO -0.00 1.40 -0.13 -1.91 -1.05 0.00 0.00 178.16 176.47 2kwp n GLU 40 N -3.99 -0.77 -0.61 4.88 2.13 -0.51 -4.86 120.64 116.91 2kwp n GLU 40 Ca -0.15 0.68 0.02 0.00 0.66 0.00 0.00 57.16 58.36 2kwp n GLU 40 Cb 0.92 -4.54 0.21 0.00 0.27 0.00 0.00 31.44 28.29 2kwp n GLU 40 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2kwp n GLN 41 N -2.26 2.09 -3.99 5.31 6.02 -1.26 -4.96 117.38 118.33 2kwp n GLN 41 Ca -0.07 -3.03 -0.32 0.00 -0.01 0.00 0.00 57.00 53.57 2kwp n GLN 41 Cb 0.30 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 29.77 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 -0.98 -1.79 -3.81 -1.09 1.02 -1.26 -4.72 120.64 108.02 2kwp n GLU 42 Ca 0.27 0.29 -0.27 0.00 -0.02 0.00 0.00 57.16 57.42 2kwp n GLU 42 Cb 0.93 -3.86 -0.03 0.00 -0.02 0.00 0.00 31.44 28.46 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 -3.86 5.26 -0.28 -3.67 -4.36 -1.25 -4.41 121.20 108.64 2kwp s ILE 43 Ca 0.20 -0.47 -0.24 0.00 -0.26 0.00 0.00 60.65 59.88 2kwp s ILE 43 Cb -0.09 -3.72 -0.00 0.00 1.25 0.00 0.00 42.46 39.90 2kwp s ILE 43 CO 0.92 -0.11 0.80 -0.62 0.24 0.00 0.00 174.94 176.17 2kwp s ASP 44 N -3.10 6.71 -0.02 4.36 -1.08 -1.25 -4.86 116.67 117.43 2kwp s ASP 44 Ca 0.37 0.79 0.07 0.00 -0.52 0.00 0.00 52.55 53.25 2kwp s ASP 44 Cb -0.11 -2.41 -0.02 0.00 -1.46 0.00 0.00 42.92 38.92 2kwp s ASP 44 CO 0.29 -0.58 -0.22 -0.69 0.52 0.00 0.00 175.17 174.49 2kwp s VAL 45 N 2.91 1.75 -0.19 1.11 1.01 -1.26 -2.00 120.40 123.73 2kwp s VAL 45 Ca 0.33 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2kwp s VAL 45 Cb -0.14 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.84 2kwp s VAL 45 CO 0.11 0.49 -0.02 -0.13 0.00 0.00 0.00 175.10 175.56 2kwp s ARG 46 N -0.50 1.13 -0.14 2.72 0.52 0.55 -4.81 118.95 118.43 2kwp s ARG 46 Ca 0.08 -0.56 -0.15 0.00 -0.52 0.00 0.00 55.73 54.59 2kwp s ARG 46 Cb -0.09 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.21 2kwp s ARG 46 CO -0.01 -0.54 0.34 0.14 0.02 0.00 0.00 175.30 175.25 2kwp s VAL 47 N 1.68 5.27 -0.05 3.52 -7.23 -1.26 -0.07 120.40 122.26 2kwp s VAL 47 Ca -0.01 0.65 0.06 0.00 -1.81 0.00 0.00 61.98 60.87 2kwp s VAL 47 Cb -0.17 -3.67 -0.01 0.00 0.56 0.00 0.00 36.38 33.09 2kwp s VAL 47 CO -0.07 0.39 -0.23 -1.10 -0.31 0.00 0.00 175.10 173.78 2kwp s GLN 48 N 0.36 2.30 0.12 4.82 -1.52 -0.80 -4.82 119.66 120.13 2kwp s GLN 48 Ca 0.19 -0.84 0.10 0.00 -1.95 0.00 0.00 55.36 52.86 2kwp s GLN 48 Cb -0.14 -2.00 -0.04 0.00 -0.22 0.00 0.00 33.01 30.61 2kwp s GLN 48 CO 0.06 0.38 -0.22 0.42 -0.25 0.00 0.00 175.29 175.68 2kwp s ILE 49 N -0.19 2.60 -0.29 1.08 1.01 -1.26 -2.88 121.20 121.27 2kwp s ILE 49 Ca -0.01 -1.62 -0.10 0.00 0.00 0.00 0.00 60.65 58.92 2kwp s ILE 49 Cb -0.13 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2kwp s ILE 49 CO 0.03 0.09 0.17 -1.81 0.00 0.00 0.00 174.94 173.42 2kwp s ASP 50 N -2.12 5.78 0.14 3.58 1.01 0.14 -4.87 116.67 120.34 2kwp s ASP 50 Ca 0.16 -0.19 0.08 0.00 0.71 0.00 0.00 52.55 53.32 2kwp s ASP 50 Cb -0.10 -2.07 -0.18 0.00 1.01 0.00 0.00 42.92 41.58 2kwp s ASP 50 CO 0.08 -0.10 1.29 -0.09 0.21 0.00 0.00 175.17 176.56 2kwp h ARG 51 N 8.36 0.00 -0.20 8.23 2.43 -1.95 2.30 114.38 133.56 2kwp h ARG 51 Ca -0.35 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.88 2kwp h ARG 51 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2kwp h ARG 51 CO 0.58 0.93 0.17 0.87 -1.51 0.00 0.00 179.97 181.00 2kwp h LYS 52 N 0.00 0.00 0.00 0.20 6.56 -2.00 -3.32 116.57 118.01 2kwp h LYS 52 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2kwp h LYS 52 Cb 1.73 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.39 2kwp h LYS 52 CO 0.12 0.00 -0.34 -1.13 -2.06 0.00 0.00 179.45 176.04 2kwp n SER 53 N -4.18 1.58 0.00 0.86 3.41 -1.21 -5.06 113.62 109.01 2kwp n SER 53 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2kwp n SER 53 Cb 0.30 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2kwp n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kwp n GLY 54 N 1.66 0.82 3.68 5.00 0.00 0.77 -4.35 105.19 112.77 2kwp n GLY 54 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.50 6.76 -0.28 1.61 2.15 -0.76 0.22 116.67 124.88 2kwp s ASP 55 Ca 0.00 0.92 -0.07 0.00 0.43 0.00 0.00 52.55 53.83 2kwp s ASP 55 Cb 0.00 -2.36 -0.01 0.00 -0.30 0.00 0.00 42.92 40.25 2kwp s ASP 55 CO 0.00 -0.23 0.08 0.12 -0.17 0.00 0.00 175.17 174.97 2kwp s PHE 56 N 1.60 3.12 0.02 -5.34 5.36 -1.26 -0.68 117.98 120.80 2kwp s PHE 56 Ca 0.31 -0.75 -0.02 0.00 -0.96 0.00 0.00 56.93 55.50 2kwp s PHE 56 Cb -0.16 -2.25 -0.02 0.00 -0.34 0.00 0.00 43.02 40.25 2kwp s PHE 56 CO 0.12 -0.49 0.03 0.34 -1.46 0.00 0.00 175.22 173.75 2kwp s ASP 57 N 1.55 0.20 0.02 6.13 2.15 -1.14 -4.94 116.67 120.64 2kwp s ASP 57 Ca 0.04 -0.47 0.03 0.00 0.43 0.00 0.00 52.55 52.58 2kwp s ASP 57 Cb -0.16 0.15 -0.04 0.00 -0.30 0.00 0.00 42.92 42.57 2kwp s ASP 57 CO 0.03 -0.37 -0.05 -0.89 -0.17 0.00 0.00 175.17 173.73 2kwp s THR 58 N -1.77 3.77 0.10 1.71 2.01 -1.26 -1.90 115.64 118.30 2kwp s THR 58 Ca -0.13 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.10 2kwp s THR 58 Cb -0.07 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 2kwp s THR 58 CO -0.01 0.33 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.78 2kwp s PHE 59 N -1.08 1.11 -0.07 4.92 0.08 0.90 -1.95 117.98 121.89 2kwp s PHE 59 Ca 0.19 -0.62 0.05 0.00 0.12 0.00 0.00 56.93 56.66 2kwp s PHE 59 Cb -0.11 -0.60 -0.00 0.00 -0.57 0.00 0.00 43.02 41.73 2kwp s PHE 59 CO 0.10 0.02 -0.23 0.50 -0.10 0.00 0.00 175.22 175.51 2kwp s ARG 60 N -2.67 2.63 0.23 0.44 3.52 0.41 0.21 118.95 123.72 2kwp s ARG 60 Ca 0.05 -0.83 0.08 0.00 -0.13 0.00 0.00 55.73 54.90 2kwp s ARG 60 Cb -0.04 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 2kwp s ARG 60 CO 0.01 0.26 0.05 -0.98 -0.81 0.00 0.00 175.30 173.83 2kwp s ARG 61 N 0.12 2.51 0.02 5.12 1.04 -0.85 -0.90 118.95 126.01 2kwp s ARG 61 Ca -0.11 -1.22 -0.05 0.00 -1.04 0.00 0.00 55.73 53.31 2kwp s ARG 61 Cb -0.15 -2.34 -0.01 0.00 -2.04 0.00 0.00 34.95 30.41 2kwp s ARG 61 CO 0.06 0.40 0.09 -1.58 -0.04 0.00 0.00 175.30 174.23 2kwp s TRP 62 N -2.09 0.14 -0.10 5.89 0.51 0.23 -4.46 118.94 119.06 2kwp s TRP 62 Ca 0.31 -0.33 -0.09 0.00 -2.12 0.00 0.00 56.10 53.87 2kwp s TRP 62 Cb -0.08 -0.11 -0.04 0.00 -0.81 0.00 0.00 33.47 32.43 2kwp s TRP 62 CO 0.21 -0.29 0.20 -1.17 -0.51 0.00 0.00 176.95 175.39 2kwp s LEU 63 N -1.62 4.39 -0.16 2.99 1.98 -1.25 0.14 118.68 125.15 2kwp s LEU 63 Ca -0.12 0.56 -0.29 0.00 -2.89 0.00 0.00 54.13 51.38 2kwp s LEU 63 Cb -0.06 -2.18 -0.02 0.00 0.66 0.00 0.00 46.19 44.59 2kwp s LEU 63 CO -0.01 0.37 1.31 -0.69 -1.89 0.00 0.00 176.35 175.45 2kwp s VAL 64 N -0.91 4.19 -0.03 1.68 1.01 -0.63 0.48 120.40 126.19 2kwp s VAL 64 Ca 0.16 1.43 0.05 0.00 0.00 0.00 0.00 61.98 63.63 2kwp s VAL 64 Cb -0.13 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2kwp s VAL 64 CO 0.06 -0.16 -0.19 -0.69 0.00 0.00 0.00 175.10 174.12 2kwp s VAL 65 N 3.65 1.56 -0.20 2.92 1.01 0.99 -3.34 120.40 126.99 2kwp s VAL 65 Ca 0.57 -0.82 0.27 0.00 0.00 0.00 0.00 61.98 62.00 2kwp s VAL 65 Cb -0.23 -1.32 0.29 0.00 0.00 0.00 0.00 36.38 35.13 2kwp s VAL 65 CO 0.17 0.44 1.82 -0.78 0.00 0.00 0.00 175.10 176.75 2kwp h ASP 66 N 5.91 0.00 -0.43 3.32 3.58 -1.93 0.64 116.42 127.50 2kwp h ASP 66 Ca -0.36 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 56.81 2kwp h ASP 66 Cb 1.16 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 41.99 2kwp h ASP 66 CO 0.48 0.00 -0.62 1.21 -2.88 0.00 0.00 179.24 177.43 2kwp n GLU 67 N -2.50 1.09 -1.39 0.28 2.13 -1.26 -4.73 120.64 114.27 2kwp n GLU 67 Ca 0.01 -2.28 -0.58 0.00 0.66 0.00 0.00 57.16 54.97 2kwp n GLU 67 Cb 0.19 -0.84 -0.10 0.00 0.27 0.00 0.00 31.44 30.97 2kwp n GLU 67 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2kwp n VAL 68 N -0.01 0.00 0.12 6.31 3.14 -1.23 -4.78 118.33 121.88 2kwp n VAL 68 Ca 0.06 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.55 2kwp n VAL 68 Cb 0.76 -0.44 0.03 0.00 -1.06 0.00 0.00 33.84 33.12 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 5.10 0.05 -2.89 1.55 1.35 -1.96 -3.42 112.91 112.68 2kwp h THR 69 Ca -0.28 -1.08 -0.56 0.00 -0.55 0.00 0.00 66.41 63.94 2kwp h THR 69 Cb 1.23 1.65 -0.40 0.00 -1.73 0.00 0.00 68.15 68.90 2kwp h THR 69 CO 0.91 0.03 -0.78 -1.10 -0.25 0.00 0.00 175.52 174.33 2kwp s GLN 70 N -3.30 0.44 0.00 4.72 -1.52 -1.26 -4.98 119.66 113.77 2kwp s GLN 70 Ca 0.01 -0.86 0.15 0.00 -1.95 0.00 0.00 55.36 52.72 2kwp s GLN 70 Cb 0.09 -1.49 0.92 0.00 -0.22 0.00 0.00 33.01 32.30 2kwp s GLN 70 CO 0.77 -1.04 1.33 -0.35 -0.25 0.00 0.00 175.29 175.76 2kwp n PRO 71 N 4.92 0.51 0.11 2.91 -0.04 -1.26 -1.92 135.00 140.23 2kwp n PRO 71 Ca -0.02 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.57 2kwp n PRO 71 Cb 0.41 -1.47 0.36 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.00 0.00 0.52 1.35 -1.91 -3.36 112.91 109.51 2kwp h THR 72 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2kwp h THR 72 Cb 0.00 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2kwp h THR 72 CO 0.00 0.00 -0.14 1.17 -0.25 0.00 0.00 175.52 176.30 2kwp n LYS 73 N -2.31 0.00 -3.76 4.72 4.81 -1.08 -3.74 118.16 116.79 2kwp n LYS 73 Ca 0.05 -0.35 -0.11 0.00 -0.87 0.00 0.00 58.31 57.03 2kwp n LYS 73 Cb 0.44 -0.21 -0.07 0.00 0.02 0.00 0.00 35.03 35.21 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 0.80 -0.06 1.64 2.02 -0.81 -3.89 118.70 118.40 2kwp s GLU 74 Ca 0.00 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.50 2kwp s GLU 74 Cb 0.00 0.35 0.02 0.00 0.10 0.00 0.00 34.13 34.59 2kwp s GLU 74 CO 0.00 -0.26 -0.10 -1.50 0.02 0.00 0.00 175.26 173.43 2kwp s ILE 75 N -2.54 0.96 0.81 -1.63 2.07 0.18 -4.14 121.20 116.91 2kwp s ILE 75 Ca -0.05 -0.37 -0.12 0.00 -1.41 0.00 0.00 60.65 58.70 2kwp s ILE 75 Cb -0.01 -0.90 0.09 0.00 0.13 0.00 0.00 42.46 41.76 2kwp s ILE 75 CO -0.03 0.32 1.17 0.42 -1.91 0.00 0.00 174.94 174.90 2kwp s THR 76 N 0.78 2.32 0.13 4.00 -4.23 -1.26 -0.01 115.64 117.37 2kwp s THR 76 Ca -0.13 0.13 -0.25 0.00 -1.18 0.00 0.00 61.69 60.26 2kwp s THR 76 Cb -0.15 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 2kwp s THR 76 CO 0.02 -0.11 1.64 0.25 -0.54 0.00 0.00 174.62 175.88 2kwp h LEU 77 N -1.07 -0.70 -0.54 4.79 6.46 -1.15 -0.47 115.31 122.63 2kwp h LEU 77 Ca -0.45 0.10 0.11 0.00 -0.12 0.00 0.00 57.88 57.52 2kwp h LEU 77 Cb 1.28 0.30 -0.11 0.00 -0.73 0.00 0.00 40.66 41.40 2kwp h LEU 77 CO 0.46 -0.29 -0.22 -0.08 -0.62 0.00 0.00 178.44 177.69 2kwp h GLU 78 N -0.33 -0.09 -0.59 1.25 4.57 -1.90 0.88 114.58 118.36 2kwp h GLU 78 Ca 0.08 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.35 2kwp h GLU 78 Cb 0.44 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 2kwp h GLU 78 CO -0.25 -0.06 0.39 0.00 -1.18 0.00 0.00 179.01 177.92 2kwp h ALA 79 N 1.29 1.94 -0.09 2.92 0.00 -1.68 -1.19 119.26 122.44 2kwp h ALA 79 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2kwp h ALA 79 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kwp h ALA 79 CO -0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 179.25 178.56 2kwp h ALA 80 N 1.69 0.12 -0.69 0.00 0.00 0.22 -2.30 119.26 118.32 2kwp h ALA 80 Ca 0.27 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2kwp h ALA 80 Cb 0.44 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2kwp h ALA 80 CO -0.08 -0.15 0.33 0.00 0.00 0.00 0.00 179.25 179.36 2kwp h ARG 81 N -0.16 0.54 -1.00 0.00 3.08 0.41 2.16 114.38 119.41 2kwp h ARG 81 Ca 0.02 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.08 2kwp h ARG 81 Cb 0.43 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 2kwp h ARG 81 CO 0.01 0.36 0.66 1.88 -1.07 0.00 0.00 179.97 181.80 2kwp h TYR 82 N 0.56 1.22 0.00 3.04 0.05 -1.14 -1.51 116.97 119.20 2kwp h TYR 82 Ca 0.34 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 59.01 2kwp h TYR 82 Cb 0.37 -0.41 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 2kwp h TYR 82 CO -0.12 0.69 -0.88 1.49 -1.05 0.00 0.00 178.16 178.29 2kwp h GLU 83 N 1.25 0.00 0.00 4.88 4.57 -0.36 -3.46 114.58 121.46 2kwp h GLU 83 Ca 0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 2kwp h GLU 83 Cb 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2kwp h GLU 83 CO -0.13 0.46 0.00 -3.47 -1.18 0.00 0.00 179.01 174.68 2kwp n ASP 84 N -3.11 0.00 0.08 1.04 2.03 0.71 -4.99 116.55 112.32 2kwp n ASP 84 Ca -0.02 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.35 2kwp n ASP 84 Cb 0.79 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.52 2kwp n ASP 84 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2kwp n GLU 85 N 0.00 0.08 0.00 -0.67 0.28 -1.05 -1.07 120.64 118.22 2kwp n GLU 85 Ca 0.00 0.53 0.07 0.00 -0.16 0.00 0.00 57.16 57.60 2kwp n GLU 85 Cb 0.00 -1.74 0.42 0.00 1.43 0.00 0.00 31.44 31.55 2kwp n GLU 85 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2kwp n SER 86 N -1.91 0.00 -4.89 -1.84 7.64 -1.26 -4.79 113.62 106.56 2kwp n SER 86 Ca -0.00 -1.51 -0.32 0.00 1.01 0.00 0.00 58.87 58.05 2kwp n SER 86 Cb 0.06 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.21 2kwp n SER 86 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kwp s LEU 87 N -1.45 4.29 0.24 -3.43 1.43 -0.23 -5.10 118.68 114.43 2kwp s LEU 87 Ca 0.21 0.60 -0.08 0.00 -1.03 0.00 0.00 54.13 53.83 2kwp s LEU 87 Cb 0.10 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 2kwp s LEU 87 CO 0.16 0.08 0.37 0.21 0.23 0.00 0.00 176.35 177.41 2kwp s ASN 88 N -2.30 0.12 0.09 2.29 2.47 -1.26 -4.79 114.94 111.55 2kwp s ASN 88 Ca 0.39 -1.15 -0.33 0.00 0.42 0.00 0.00 52.86 52.19 2kwp s ASN 88 Cb -0.12 0.53 -0.12 0.00 -1.45 0.00 0.00 41.25 40.08 2kwp s ASN 88 CO 0.23 -1.07 1.74 0.18 -3.72 0.00 0.00 177.10 174.47 2kwp n LEU 89 N -0.37 3.52 0.00 3.21 7.99 -1.26 -0.85 117.00 129.24 2kwp n LEU 89 Ca -0.00 1.02 0.00 0.00 -0.01 0.00 0.00 56.01 57.02 2kwp n LEU 89 Cb 0.63 -1.46 0.00 0.00 -0.11 0.00 0.00 43.42 42.49 2kwp n LEU 89 CO 0.27 -0.06 0.00 0.61 -1.51 0.00 0.00 177.39 176.69 2kwp n GLY 90 N 3.95 3.02 3.93 -0.72 0.00 -1.21 -4.98 105.19 109.18 2kwp n GLY 90 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.33 5.86 -0.12 1.61 1.01 -0.03 -4.87 116.67 118.79 2kwp s ASP 91 Ca 0.00 0.59 0.01 0.00 0.71 0.00 0.00 52.55 53.85 2kwp s ASP 91 Cb 0.00 -1.77 -0.01 0.00 1.01 0.00 0.00 42.92 42.14 2kwp s ASP 91 CO 0.00 -0.79 -0.15 -0.31 0.21 0.00 0.00 175.17 174.13 2kwp s TYR 92 N -2.74 2.76 0.13 4.23 2.02 -1.26 -1.60 117.35 120.89 2kwp s TYR 92 Ca 0.50 -0.71 -0.22 0.00 -0.37 0.00 0.00 57.07 56.27 2kwp s TYR 92 Cb -0.10 -1.81 -0.07 0.00 -0.40 0.00 0.00 41.96 39.58 2kwp s TYR 92 CO 0.42 -0.24 0.67 0.08 -1.57 0.00 0.00 175.55 174.91 2kwp s VAL 93 N 0.31 4.56 0.08 0.71 1.01 0.38 -4.80 120.40 122.65 2kwp s VAL 93 Ca -0.12 1.44 0.05 0.00 0.00 0.00 0.00 61.98 63.34 2kwp s VAL 93 Cb -0.16 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2kwp s VAL 93 CO 0.06 0.51 -0.00 -1.61 0.00 0.00 0.00 175.10 174.06 2kwp s GLU 94 N -1.20 2.56 -0.12 2.72 2.02 -1.26 -0.60 118.70 122.82 2kwp s GLU 94 Ca 0.33 -0.82 -0.28 0.00 0.02 0.00 0.00 54.97 54.23 2kwp s GLU 94 Cb -0.21 -2.55 0.07 0.00 0.10 0.00 0.00 34.13 31.54 2kwp s GLU 94 CO 0.22 0.55 0.67 0.34 0.02 0.00 0.00 175.26 177.06 2kwp s ASP 95 N -2.21 -0.66 -0.00 -0.19 2.15 -0.08 -4.96 116.67 110.72 2kwp s ASP 95 Ca 0.25 0.92 -0.21 0.00 0.43 0.00 0.00 52.55 53.94 2kwp s ASP 95 Cb -0.12 0.83 -0.05 0.00 -0.30 0.00 0.00 42.92 43.28 2kwp s ASP 95 CO 0.17 -0.47 0.63 -1.58 -0.17 0.00 0.00 175.17 173.75 2kwp s GLN 96 N -0.66 4.36 0.15 4.34 0.74 -1.26 0.16 119.66 127.49 2kwp s GLN 96 Ca -0.07 0.80 0.03 0.00 0.05 0.00 0.00 55.36 56.16 2kwp s GLN 96 Cb -0.02 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 2kwp s GLN 96 CO 0.07 0.33 -0.05 0.96 -0.55 0.00 0.00 175.29 176.05 2kwp s ILE 97 N -0.08 0.85 0.58 -2.34 -4.36 -0.82 -4.81 121.20 110.22 2kwp s ILE 97 Ca 0.33 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.54 2kwp s ILE 97 Cb -0.19 -1.94 -0.12 0.00 1.25 0.00 0.00 42.46 41.46 2kwp s ILE 97 CO 0.18 -0.65 0.05 -0.62 0.24 0.00 0.00 174.94 174.14 2kwp n GLU 98 N -0.19 0.16 -4.42 0.37 1.02 -1.26 -4.15 120.64 112.17 2kwp n GLU 98 Ca -0.09 0.07 -0.25 0.00 -0.02 0.00 0.00 57.16 56.87 2kwp n GLU 98 Cb 0.62 -1.26 -0.10 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.09 3.77 -0.10 1.62 1.04 -1.26 -4.64 113.70 113.04 2kwp s SER 99 Ca 0.59 -0.89 -0.18 0.00 0.48 0.00 0.00 55.95 55.95 2kwp s SER 99 Cb -0.44 -0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.22 2kwp s SER 99 CO 0.64 0.06 0.49 0.54 0.98 0.00 0.00 173.24 175.95 2kwp s VAL 100 N -2.22 5.15 0.45 5.02 0.11 -1.26 -5.01 120.40 122.64 2kwp s VAL 100 Ca 0.28 1.00 -0.21 0.00 -2.93 0.00 0.00 61.98 60.11 2kwp s VAL 100 Cb -0.06 -3.83 -0.13 0.00 -1.53 0.00 0.00 36.38 30.83 2kwp s VAL 100 CO 0.15 0.34 0.40 0.41 -3.33 0.00 0.00 175.10 173.07 2kwp n THR 101 N 3.52 1.50 0.00 5.04 -1.04 -1.26 -4.86 114.28 117.18 2kwp n THR 101 Ca -0.07 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 2kwp n THR 101 Cb 0.52 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 2kwp n THR 101 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2kwp n PHE 102 N -1.09 0.00 0.00 -1.42 7.35 -1.26 -4.96 117.46 116.08 2kwp n PHE 102 Ca 0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 2kwp n PHE 102 Cb 0.42 -0.47 0.00 0.00 0.35 0.00 0.00 39.48 39.77 2kwp n PHE 102 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2kwp n ASP 103 N -2.43 0.00 -4.53 -2.13 5.68 -1.26 -5.01 116.55 106.87 2kwp n ASP 103 Ca 0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 53.97 2kwp n ASP 103 Cb 0.00 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.12 2kwp n ASP 103 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2kwp n ARG 104 N -0.06 -0.29 0.17 0.11 1.74 -1.26 -4.74 116.66 112.32 2kwp n ARG 104 Ca 0.00 -0.03 0.17 0.00 -0.77 0.00 0.00 57.85 57.22 2kwp n ARG 104 Cb 0.00 -2.08 0.63 0.00 -1.02 0.00 0.00 32.46 29.98 2kwp n ARG 104 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2kwp h ILE 105 N -1.58 0.13 -3.66 0.55 6.09 -2.05 -3.39 117.51 113.61 2kwp h ILE 105 Ca -0.44 0.00 -0.51 0.00 -1.37 0.00 0.00 64.86 62.55 2kwp h ILE 105 Cb 1.28 0.48 -0.01 0.00 0.47 0.00 0.00 36.82 39.04 2kwp h ILE 105 CO 0.38 0.00 0.39 -0.89 -3.07 0.00 0.00 178.15 174.96 2kwp s THR 106 N -4.32 4.09 -1.66 2.19 2.01 -1.26 -4.93 115.64 111.76 2kwp s THR 106 Ca -0.03 1.91 0.25 0.00 0.31 0.00 0.00 61.69 64.13 2kwp s THR 106 Cb 0.11 -4.22 0.14 0.00 0.01 0.00 0.00 72.50 68.53 2kwp s THR 106 CO 0.36 0.38 1.40 0.35 -0.69 0.00 0.00 174.62 176.42 2kwp n THR 107 N 2.03 0.00 0.15 -0.82 -2.24 -1.26 -4.03 114.28 108.11 2kwp n THR 107 Ca 0.00 -0.13 0.03 0.00 -2.27 0.00 0.00 64.05 61.69 2kwp n THR 107 Cb 0.47 0.60 0.43 0.00 -2.10 0.00 0.00 70.33 69.73 2kwp n THR 107 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2kwp h GLN 108 N 1.21 0.17 -0.49 -0.78 4.20 -1.93 -1.01 115.11 116.49 2kwp h GLN 108 Ca 0.00 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 2kwp h GLN 108 Cb 0.56 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2kwp h GLN 108 CO 0.00 0.31 -0.15 1.15 -0.67 0.00 0.00 178.83 179.48 2kwp h THR 109 N 0.16 1.27 0.00 -0.54 2.02 -1.94 -2.76 112.91 111.12 2kwp h THR 109 Ca 0.03 -1.29 -0.09 0.00 0.77 0.00 0.00 66.41 65.83 2kwp h THR 109 Cb 0.35 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2kwp h THR 109 CO 0.02 0.45 -0.43 0.00 0.37 0.00 0.00 175.52 175.93 2kwp h ALA 110 N 0.88 0.87 0.00 6.16 0.00 -1.68 -2.99 119.26 122.51 2kwp h ALA 110 Ca 0.12 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2kwp h ALA 110 Cb 0.71 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kwp h ALA 110 CO 0.05 0.54 -0.08 -0.22 0.00 0.00 0.00 179.25 179.54 2kwp h LYS 111 N 0.00 0.00 -0.48 0.00 3.64 -0.90 -1.76 116.57 117.07 2kwp h LYS 111 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2kwp h LYS 111 Cb 1.07 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2kwp h LYS 111 CO 0.06 0.08 -0.07 1.96 -2.27 0.00 0.00 179.45 179.21 2kwp h GLN 112 N 0.00 0.84 -0.08 1.90 4.20 -1.47 0.30 115.11 120.80 2kwp h GLN 112 Ca -0.00 -0.27 -0.20 0.00 0.06 0.00 0.00 58.65 58.24 2kwp h GLN 112 Cb 0.15 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2kwp h GLN 112 CO 0.01 0.89 -0.78 0.28 -0.67 0.00 0.00 178.83 178.56 2kwp h VAL 113 N 0.77 1.35 -0.08 -0.54 2.07 -1.47 -1.04 116.25 117.31 2kwp h VAL 113 Ca 0.13 -2.14 -0.04 0.00 0.82 0.00 0.00 66.70 65.47 2kwp h VAL 113 Cb 0.56 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2kwp h VAL 113 CO 0.03 0.65 -0.11 0.40 0.02 0.00 0.00 177.57 178.57 2kwp h ILE 114 N 0.34 1.39 -0.18 4.57 2.04 -1.21 0.36 117.51 124.83 2kwp h ILE 114 Ca -0.05 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 2kwp h ILE 114 Cb 1.38 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 2kwp h ILE 114 CO 0.14 0.38 0.02 0.58 0.00 0.00 0.00 178.15 179.27 2kwp h VAL 115 N -0.25 1.24 -0.13 1.67 2.07 -1.00 0.27 116.25 120.11 2kwp h VAL 115 Ca 0.01 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2kwp h VAL 115 Cb 0.66 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2kwp h VAL 115 CO 0.03 0.24 0.05 -0.61 0.02 0.00 0.00 177.57 177.29 2kwp h GLN 116 N 0.08 0.20 -0.26 1.57 4.15 -1.24 -0.64 115.11 118.97 2kwp h GLN 116 Ca 0.05 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 2kwp h GLN 116 Cb 0.34 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 2kwp h GLN 116 CO 0.01 0.29 -0.13 0.87 -1.93 0.00 0.00 178.83 177.94 2kwp h LYS 117 N 0.06 0.45 -0.44 1.69 1.57 -0.88 -2.53 116.57 116.49 2kwp h LYS 117 Ca 0.04 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 2kwp h LYS 117 Cb 0.17 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2kwp h LYS 117 CO -0.00 0.58 -0.15 0.28 -0.57 0.00 0.00 179.45 179.58 2kwp h VAL 118 N 0.41 1.27 -0.64 0.50 2.07 -0.12 -2.64 116.25 117.11 2kwp h VAL 118 Ca 0.08 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 2kwp h VAL 118 Cb 0.49 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2kwp h VAL 118 CO 0.03 0.44 0.24 0.03 0.02 0.00 0.00 177.57 178.33 2kwp h ARG 119 N 0.71 0.94 -0.10 1.57 3.08 -0.84 -1.94 114.38 117.81 2kwp h ARG 119 Ca 0.11 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 2kwp h ARG 119 Cb 0.71 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2kwp h ARG 119 CO 0.05 0.77 -0.24 0.93 -1.07 0.00 0.00 179.97 180.42 2kwp h GLU 120 N 0.92 0.17 -0.31 0.04 4.39 -1.27 -2.34 114.58 116.18 2kwp h GLU 120 Ca 0.21 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 2kwp h GLU 120 Cb 0.19 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2kwp h GLU 120 CO -0.02 0.40 0.03 0.00 -1.16 0.00 0.00 179.01 178.27 2kwp h ALA 121 N 1.61 1.49 -0.69 3.43 0.00 -0.99 -2.14 119.26 121.97 2kwp h ALA 121 Ca 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kwp h ALA 121 Cb 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2kwp h ALA 121 CO 0.04 0.37 0.43 0.93 0.00 0.00 0.00 179.25 181.01 2kwp h GLU 122 N 0.45 0.93 -0.82 0.00 5.08 -1.34 -1.73 114.58 117.14 2kwp h GLU 122 Ca 0.10 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2kwp h GLU 122 Cb 0.24 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2kwp h GLU 122 CO 0.00 0.64 0.54 -0.09 -1.00 0.00 0.00 179.01 179.10 2kwp h ARG 123 N 0.95 0.86 -6.06 2.33 9.65 -1.44 -3.41 114.38 117.26 2kwp h ARG 123 Ca 0.25 -0.05 -0.64 0.00 -1.10 0.00 0.00 59.98 58.44 2kwp h ARG 123 Cb -0.06 -0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 28.25 2kwp h ARG 123 CO -0.05 0.57 -0.57 0.00 2.80 0.00 0.00 179.97 182.72 2kwp s ALA 124 N -5.79 3.67 -0.11 2.80 0.00 -0.65 -5.10 121.76 116.58 2kwp s ALA 124 Ca -0.11 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 2kwp s ALA 124 Cb 0.20 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 2kwp s ALA 124 CO 0.79 0.74 0.14 -1.64 0.00 0.00 0.00 175.76 175.79 2kwp s MET 125 N -2.17 3.43 0.35 0.00 -1.94 -1.26 -4.87 119.30 112.83 2kwp s MET 125 Ca 0.28 -0.15 0.04 0.00 -1.71 0.00 0.00 55.69 54.15 2kwp s MET 125 Cb -0.12 -3.17 0.67 0.00 2.01 0.00 0.00 34.83 34.22 2kwp s MET 125 CO 0.20 0.77 1.97 -0.07 -0.01 0.00 0.00 175.02 177.88 2kwp h LEU 126 N 4.92 0.73 -9.85 -0.03 3.38 -1.97 -3.41 115.31 109.07 2kwp h LEU 126 Ca -0.55 -0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.91 2kwp h LEU 126 Cb 1.23 -0.16 0.04 0.00 0.09 0.00 0.00 40.66 41.86 2kwp h LEU 126 CO 0.59 0.49 0.55 -0.69 0.09 0.00 0.00 178.44 179.47 2kwp s VAL 127 N -5.73 3.10 -0.42 1.22 1.01 -1.26 -4.90 120.40 113.42 2kwp s VAL 127 Ca -0.10 1.10 0.25 0.00 0.00 0.00 0.00 61.98 63.23 2kwp s VAL 127 Cb 0.19 -3.70 0.26 0.00 0.00 0.00 0.00 36.38 33.14 2kwp s VAL 127 CO 0.77 0.26 1.74 1.55 0.00 0.00 0.00 175.10 179.42 2kwp h PRO 128 N 3.55 0.00 0.00 2.72 0.13 -2.05 -3.53 132.00 132.82 2kwp h PRO 128 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kwp h PRO 128 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kwp h PRO 128 CO 0.66 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.97