#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 5.76 0.36 7.83 0.02 0.32 -4.92 114.94 124.31 2kwp s ASN 2 Ca 0.00 -0.52 0.14 0.00 -1.02 0.00 0.00 52.86 51.46 2kwp s ASN 2 Cb 0.00 -2.06 0.69 0.00 0.02 0.00 0.00 41.25 39.91 2kwp s ASN 2 CO 0.00 -0.23 1.79 0.11 0.02 0.00 0.00 177.10 178.79 2kwp h LYS 3 N 8.41 0.00 -0.58 -0.60 1.57 -1.90 -2.77 116.57 120.70 2kwp h LYS 3 Ca -0.31 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 2kwp h LYS 3 Cb 1.15 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 2kwp h LYS 3 CO 0.63 0.40 0.14 0.93 -0.57 0.00 0.00 179.45 180.98 2kwp h GLU 4 N 0.00 0.90 -0.30 3.15 5.08 -1.92 -1.49 114.58 120.00 2kwp h GLU 4 Ca -0.00 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2kwp h GLU 4 Cb 0.75 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2kwp h GLU 4 CO 0.05 0.81 0.15 0.82 -1.00 0.00 0.00 179.01 179.84 2kwp h ILE 5 N 0.87 0.99 -0.34 3.13 2.04 -1.78 0.40 117.51 122.82 2kwp h ILE 5 Ca 0.19 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.85 2kwp h ILE 5 Cb 0.31 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2kwp h ILE 5 CO -0.00 0.06 -0.17 -0.07 0.00 0.00 0.00 178.15 177.97 2kwp h LEU 6 N 0.31 0.61 -0.75 1.44 3.38 -1.53 -2.21 115.31 116.55 2kwp h LEU 6 Ca 0.12 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2kwp h LEU 6 Cb 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2kwp h LEU 6 CO -0.09 0.79 -0.59 0.00 0.09 0.00 0.00 178.44 178.64 2kwp h ALA 7 N 1.27 0.96 -0.19 1.53 0.00 -0.54 -2.73 119.26 119.55 2kwp h ALA 7 Ca 0.09 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 2kwp h ALA 7 Cb 0.60 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kwp h ALA 7 CO 0.04 0.73 -0.58 0.28 0.00 0.00 0.00 179.25 179.72 2kwp h VAL 8 N 0.08 1.31 -0.05 0.00 2.07 0.17 -3.00 116.25 116.83 2kwp h VAL 8 Ca -0.01 -1.83 -0.11 0.00 0.82 0.00 0.00 66.70 65.58 2kwp h VAL 8 Cb 1.06 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2kwp h VAL 8 CO 0.08 0.57 -0.47 0.58 0.02 0.00 0.00 177.57 178.35 2kwp h VAL 9 N 0.47 1.34 -0.10 2.57 2.07 -1.32 -2.76 116.25 118.52 2kwp h VAL 9 Ca 0.00 -1.66 -0.09 0.00 0.82 0.00 0.00 66.70 65.78 2kwp h VAL 9 Cb 1.15 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2kwp h VAL 9 CO 0.11 0.48 -0.32 -0.33 0.02 0.00 0.00 177.57 177.54 2kwp h GLU 10 N 0.10 0.20 -0.05 1.57 5.08 -1.36 -1.77 114.58 118.35 2kwp h GLU 10 Ca 0.00 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 2kwp h GLU 10 Cb 0.88 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2kwp h GLU 10 CO 0.07 0.51 -0.53 0.00 -1.00 0.00 0.00 179.01 178.05 2kwp h ALA 11 N 1.50 1.02 0.09 3.43 0.00 -1.36 -1.39 119.26 122.55 2kwp h ALA 11 Ca 0.02 -0.49 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 2kwp h ALA 11 Cb 0.66 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2kwp h ALA 11 CO 0.05 0.67 -1.14 0.28 0.00 0.00 0.00 179.25 179.11 2kwp h VAL 12 N 0.11 1.44 -0.12 0.00 2.07 -1.37 -2.80 116.25 115.58 2kwp h VAL 12 Ca 0.00 -2.79 -0.19 0.00 0.82 0.00 0.00 66.70 64.54 2kwp h VAL 12 Cb 0.97 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 33.49 2kwp h VAL 12 CO 0.08 0.82 -0.70 -1.28 0.02 0.00 0.00 177.57 176.51 2kwp h SER 13 N 0.14 0.61 -0.12 0.57 0.87 -1.24 -1.63 113.55 112.75 2kwp h SER 13 Ca -0.12 -0.38 -0.13 0.00 -1.23 0.00 0.00 61.79 59.92 2kwp h SER 13 Cb 1.83 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.61 2kwp h SER 13 CO 0.19 1.13 -0.38 0.78 -0.53 0.00 0.00 176.83 178.02 2kwp h ASN 14 N 0.36 0.67 -0.02 6.23 2.35 -1.31 2.09 115.58 125.96 2kwp h ASN 14 Ca -0.03 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.38 2kwp h ASN 14 Cb 1.28 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2kwp h ASN 14 CO 0.13 0.98 -0.17 -0.33 -1.65 0.00 0.00 177.43 176.39 2kwp h GLU 15 N 0.53 0.15 -0.28 0.81 4.39 -1.46 -3.28 114.58 115.44 2kwp h GLU 15 Ca 0.05 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2kwp h GLU 15 Cb 0.89 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2kwp h GLU 15 CO 0.08 0.83 0.00 1.63 -1.16 0.00 0.00 179.01 180.39 2kwp n LYS 16 N -4.59 2.27 -1.98 2.33 5.02 -0.62 -4.91 118.16 115.68 2kwp n LYS 16 Ca -0.09 -1.90 -0.05 0.00 -2.02 0.00 0.00 58.31 54.25 2kwp n LYS 16 Cb 0.44 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.96 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 1.14 -0.60 -1.94 7.82 0.00 0.71 -4.88 120.51 122.75 2kwp n ALA 17 Ca 0.18 0.06 -0.26 0.00 0.00 0.00 0.00 53.44 53.42 2kwp n ALA 17 Cb 0.53 -0.83 0.10 0.00 0.00 0.00 0.00 19.45 19.25 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 -4.29 2.84 0.24 0.00 1.02 -1.13 -4.99 118.68 112.36 2kwp s LEU 18 Ca 0.00 0.26 -0.30 0.00 0.02 0.00 0.00 54.13 54.12 2kwp s LEU 18 Cb 0.00 -2.76 -0.09 0.00 0.02 0.00 0.00 46.19 43.36 2kwp s LEU 18 CO 0.00 -1.84 1.27 -2.16 0.02 0.00 0.00 176.35 173.64 2kwp s PRO 19 N -5.33 4.43 0.32 1.29 0.04 -1.26 -4.70 135.00 129.78 2kwp s PRO 19 Ca 0.64 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2kwp s PRO 19 Cb -0.09 -3.17 0.53 0.00 0.04 0.00 0.00 34.50 31.81 2kwp s PRO 19 CO 0.46 -0.16 1.97 0.00 0.04 0.00 0.00 177.00 179.31 2kwp h ARG 20 N 4.71 0.98 0.21 4.56 3.08 -1.95 -2.55 114.38 123.43 2kwp h ARG 20 Ca -0.46 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.54 2kwp h ARG 20 Cb 1.22 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 2kwp h ARG 20 CO 0.73 0.65 -0.25 1.49 -1.07 0.00 0.00 179.97 181.52 2kwp h GLU 21 N 1.01 -0.49 -0.53 0.04 4.81 -2.00 -1.71 114.58 115.72 2kwp h GLU 21 Ca 0.30 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.66 2kwp h GLU 21 Cb -0.05 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 2kwp h GLU 21 CO -0.08 -0.32 0.05 -0.22 -0.73 0.00 0.00 179.01 177.71 2kwp h LYS 22 N -0.50 0.17 -0.14 1.92 3.64 -1.86 -1.52 116.57 118.27 2kwp h LYS 22 Ca 0.00 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2kwp h LYS 22 Cb 0.48 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.21 2kwp h LYS 22 CO -0.08 0.11 -0.23 0.82 -2.27 0.00 0.00 179.45 177.80 2kwp h ILE 23 N 0.17 0.43 -0.87 2.00 2.04 -1.08 0.10 117.51 120.31 2kwp h ILE 23 Ca 0.27 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.32 2kwp h ILE 23 Cb 0.40 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2kwp h ILE 23 CO -0.40 0.00 0.58 -0.26 0.00 0.00 0.00 178.15 178.06 2kwp h PHE 24 N -0.29 0.53 -0.64 1.37 0.04 -0.41 0.15 116.94 117.70 2kwp h PHE 24 Ca 0.10 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 2kwp h PHE 24 Cb 0.44 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 2kwp h PHE 24 CO -0.34 0.16 0.40 0.93 -0.60 0.00 0.00 178.31 178.85 2kwp h GLU 25 N 0.42 0.86 -0.35 1.51 5.08 -0.03 0.86 114.58 122.93 2kwp h GLU 25 Ca 0.45 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.68 2kwp h GLU 25 Cb 1.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2kwp h GLU 25 CO -0.16 0.60 -0.00 0.00 -1.00 0.00 0.00 179.01 178.44 2kwp h ALA 26 N 1.21 0.47 -0.39 3.43 0.00 -0.27 -1.80 119.26 121.91 2kwp h ALA 26 Ca 0.23 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kwp h ALA 26 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2kwp h ALA 26 CO -0.05 0.24 0.25 -0.07 0.00 0.00 0.00 179.25 179.62 2kwp h LEU 27 N 0.43 0.41 -0.80 0.00 3.38 -0.88 -0.51 115.31 117.34 2kwp h LEU 27 Ca 0.10 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2kwp h LEU 27 Cb 0.46 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2kwp h LEU 27 CO 0.02 0.30 0.51 -0.33 0.09 0.00 0.00 178.44 179.02 2kwp h GLU 28 N 0.50 0.94 -0.13 1.13 5.08 -0.68 0.21 114.58 121.64 2kwp h GLU 28 Ca 0.15 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2kwp h GLU 28 Cb -0.03 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2kwp h GLU 28 CO -0.05 0.62 0.06 0.66 -1.00 0.00 0.00 179.01 179.30 2kwp h SER 29 N 0.97 0.17 -0.34 1.42 4.64 -0.63 0.39 113.55 120.17 2kwp h SER 29 Ca 0.33 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 2kwp h SER 29 Cb 0.05 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2kwp h SER 29 CO -0.13 0.26 0.10 0.00 -0.87 0.00 0.00 176.83 176.19 2kwp h ALA 30 N 0.92 1.39 -0.12 5.18 0.00 -0.58 0.11 119.26 126.16 2kwp h ALA 30 Ca 0.04 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2kwp h ALA 30 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kwp h ALA 30 CO -0.00 0.44 -0.37 -0.07 0.00 0.00 0.00 179.25 179.25 2kwp h LEU 31 N 0.61 0.53 -0.89 0.00 3.38 -0.14 -1.98 115.31 116.82 2kwp h LEU 31 Ca 0.14 -0.60 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 2kwp h LEU 31 Cb 0.24 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2kwp h LEU 31 CO -0.00 1.04 0.24 0.00 0.09 0.00 0.00 178.44 179.81 2kwp h ALA 32 N 0.50 1.11 -0.50 1.53 0.00 0.08 0.23 119.26 122.22 2kwp h ALA 32 Ca -0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2kwp h ALA 32 Cb 0.99 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2kwp h ALA 32 CO 0.08 0.62 -0.09 1.15 0.00 0.00 0.00 179.25 181.01 2kwp h THR 33 N 1.02 1.26 -0.04 0.00 2.02 -0.96 -1.39 112.91 114.83 2kwp h THR 33 Ca 0.23 -1.20 -0.20 0.00 0.77 0.00 0.00 66.41 66.01 2kwp h THR 33 Cb 0.25 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2kwp h THR 33 CO -0.01 0.42 -0.84 0.00 0.37 0.00 0.00 175.52 175.45 2kwp h ALA 34 N 1.08 0.48 -0.12 6.16 0.00 -0.87 -1.70 119.26 124.28 2kwp h ALA 34 Ca 0.13 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2kwp h ALA 34 Cb 0.61 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2kwp h ALA 34 CO 0.04 0.80 0.01 1.15 0.00 0.00 0.00 179.25 181.25 2kwp h THR 35 N 0.25 1.23 -0.00 0.00 2.02 -0.34 -2.79 112.91 113.27 2kwp h THR 35 Ca -0.05 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.30 2kwp h THR 35 Cb 1.45 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 2kwp h THR 35 CO 0.14 0.21 -0.43 0.07 0.37 0.00 0.00 175.52 175.89 2kwp h LYS 36 N -0.04 0.01 -0.84 6.66 2.10 -1.30 -2.77 116.57 120.38 2kwp h LYS 36 Ca 0.04 -0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.73 2kwp h LYS 36 Cb 0.32 -0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.60 2kwp h LYS 36 CO 0.00 0.44 0.55 -0.22 -2.00 0.00 0.00 179.45 178.22 2kwp h LYS 37 N 0.01 0.98 -0.32 0.07 3.64 -1.04 -0.42 116.57 119.49 2kwp h LYS 37 Ca -0.00 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2kwp h LYS 37 Cb 0.76 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 2kwp h LYS 37 CO 0.06 0.65 0.10 -0.22 -2.27 0.00 0.00 179.45 177.76 2kwp h LYS 38 N 1.01 0.22 -0.19 1.90 3.64 -1.28 -1.69 116.57 120.19 2kwp h LYS 38 Ca 0.34 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.60 2kwp h LYS 38 Cb 0.09 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2kwp h LYS 38 CO -0.11 0.15 -0.35 1.88 -2.27 0.00 0.00 179.45 178.75 2kwp h TYR 39 N 0.23 0.45 -0.37 1.91 0.05 -1.45 -3.46 116.97 114.33 2kwp h TYR 39 Ca 0.14 -0.11 -0.16 0.00 0.05 0.00 0.00 58.73 58.65 2kwp h TYR 39 Cb 0.13 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 37.70 2kwp h TYR 39 CO -0.15 0.70 -0.14 0.39 -1.05 0.00 0.00 178.16 177.91 2kwp n GLU 40 N -4.06 -1.55 -0.72 4.88 1.02 -0.24 -4.79 120.64 115.17 2kwp n GLU 40 Ca -0.01 0.74 0.08 0.00 -0.02 0.00 0.00 57.16 57.95 2kwp n GLU 40 Cb 0.46 -5.04 0.36 0.00 -0.02 0.00 0.00 31.44 27.20 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 -0.75 4.18 -3.87 3.49 6.02 -1.26 -4.94 117.38 120.26 2kwp n GLN 41 Ca -0.08 -3.00 -0.25 0.00 -0.01 0.00 0.00 57.00 53.66 2kwp n GLN 41 Cb 0.51 -2.05 -0.00 0.00 1.02 0.00 0.00 30.24 29.71 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 0.63 -3.31 -3.44 -1.09 1.02 -1.26 -4.61 120.64 108.57 2kwp n GLU 42 Ca 0.26 0.45 -0.31 0.00 -0.02 0.00 0.00 57.16 57.54 2kwp n GLU 42 Cb 1.03 -4.59 -0.05 0.00 -0.02 0.00 0.00 31.44 27.82 2kwp n GLU 42 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2kwp s ILE 43 N -3.83 5.00 -0.18 -3.67 -4.36 -1.22 -4.39 121.20 108.53 2kwp s ILE 43 Ca 0.07 0.29 -0.26 0.00 -0.26 0.00 0.00 60.65 60.49 2kwp s ILE 43 Cb -0.02 -3.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.03 2kwp s ILE 43 CO 0.87 -0.11 0.88 -0.62 0.24 0.00 0.00 174.94 176.20 2kwp s ASP 44 N -2.56 6.98 0.00 4.36 -1.08 -1.26 -4.84 116.67 118.27 2kwp s ASP 44 Ca 0.45 1.21 0.02 0.00 -0.52 0.00 0.00 52.55 53.72 2kwp s ASP 44 Cb -0.11 -2.47 -0.01 0.00 -1.46 0.00 0.00 42.92 38.87 2kwp s ASP 44 CO 0.24 -0.46 -0.06 -0.69 0.52 0.00 0.00 175.17 174.71 2kwp s VAL 45 N 2.40 0.50 -0.10 1.11 1.01 -1.26 -1.88 120.40 122.17 2kwp s VAL 45 Ca 0.39 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2kwp s VAL 45 Cb -0.16 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.79 2kwp s VAL 45 CO 0.11 0.09 -0.17 -0.60 0.00 0.00 0.00 175.10 174.53 2kwp s ARG 46 N -0.29 2.37 -0.14 2.72 3.52 0.30 -4.79 118.95 122.64 2kwp s ARG 46 Ca 0.01 -0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 54.94 2kwp s ARG 46 Cb -0.03 -1.94 -0.03 0.00 -1.56 0.00 0.00 34.95 31.39 2kwp s ARG 46 CO -0.00 0.00 0.02 0.08 -0.81 0.00 0.00 175.30 174.59 2kwp s VAL 47 N 0.79 4.42 -0.11 7.11 1.01 -1.26 -1.22 120.40 131.14 2kwp s VAL 47 Ca -0.10 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2kwp s VAL 47 Cb -0.16 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 2kwp s VAL 47 CO 0.01 0.53 -0.20 -1.58 0.00 0.00 0.00 175.10 173.86 2kwp s GLN 48 N -0.12 3.17 0.00 2.72 0.74 -0.69 -4.67 119.66 120.81 2kwp s GLN 48 Ca 0.05 -0.81 -0.01 0.00 0.05 0.00 0.00 55.36 54.64 2kwp s GLN 48 Cb -0.12 -2.43 -0.04 0.00 1.10 0.00 0.00 33.01 31.51 2kwp s GLN 48 CO 0.02 0.17 0.14 0.42 -0.55 0.00 0.00 175.29 175.49 2kwp s ILE 49 N 0.39 5.11 -0.32 -2.34 1.01 -1.26 -0.81 121.20 122.98 2kwp s ILE 49 Ca -0.15 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 2kwp s ILE 49 Cb -0.17 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 38.95 2kwp s ILE 49 CO 0.07 0.32 0.08 -1.81 0.00 0.00 0.00 174.94 173.59 2kwp s ASP 50 N -1.91 5.15 0.10 3.58 1.01 0.59 -4.90 116.67 120.29 2kwp s ASP 50 Ca 0.26 -1.01 -0.19 0.00 0.71 0.00 0.00 52.55 52.32 2kwp s ASP 50 Cb -0.12 -1.84 -0.07 0.00 1.01 0.00 0.00 42.92 41.89 2kwp s ASP 50 CO 0.17 -0.27 1.63 -0.09 0.21 0.00 0.00 175.17 176.83 2kwp h ARG 51 N 8.19 0.35 0.34 8.23 2.43 -1.95 2.16 114.38 134.13 2kwp h ARG 51 Ca -0.26 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 2kwp h ARG 51 Cb 1.09 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2kwp h ARG 51 CO 0.59 0.41 -0.24 0.87 -1.51 0.00 0.00 179.97 180.10 2kwp h LYS 52 N 0.22 -0.53 -0.77 0.20 1.79 -1.96 -2.89 116.57 112.63 2kwp h LYS 52 Ca 0.08 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2kwp h LYS 52 Cb 0.19 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.93 2kwp h LYS 52 CO -0.01 -0.35 0.44 0.77 -1.08 0.00 0.00 179.45 179.22 2kwp h SER 53 N -0.55 0.94 -0.28 0.86 0.02 -1.98 -3.47 113.55 109.09 2kwp h SER 53 Ca -0.04 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2kwp h SER 53 Cb 0.45 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2kwp h SER 53 CO 0.03 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 177.08 2kwp n GLY 54 N -1.14 1.07 3.25 -3.77 0.00 0.72 -4.39 105.19 100.94 2kwp n GLY 54 Ca 0.07 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 2kwp n GLY 54 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kwp s ASP 55 N -2.50 -0.05 0.00 1.61 1.47 -0.85 0.12 116.67 116.48 2kwp s ASP 55 Ca 0.00 -0.41 0.05 0.00 1.18 0.00 0.00 52.55 53.37 2kwp s ASP 55 Cb 0.00 0.37 -0.01 0.00 -0.34 0.00 0.00 42.92 42.94 2kwp s ASP 55 CO 0.00 -0.71 -0.14 0.72 0.68 0.00 0.00 175.17 175.71 2kwp s PHE 56 N -3.35 1.28 0.20 2.11 -0.12 -1.26 0.22 117.98 117.05 2kwp s PHE 56 Ca 0.01 -0.27 0.06 0.00 -0.05 0.00 0.00 56.93 56.68 2kwp s PHE 56 Cb 0.02 -0.80 -0.04 0.00 -0.63 0.00 0.00 43.02 41.57 2kwp s PHE 56 CO -0.08 -0.00 0.12 -0.51 -0.05 0.00 0.00 175.22 174.69 2kwp s ASP 57 N -0.58 5.32 -0.13 1.98 1.01 0.01 -4.88 116.67 119.40 2kwp s ASP 57 Ca 0.04 -0.25 -0.03 0.00 0.71 0.00 0.00 52.55 53.02 2kwp s ASP 57 Cb -0.06 -1.31 -0.03 0.00 1.01 0.00 0.00 42.92 42.52 2kwp s ASP 57 CO 0.00 0.04 -0.01 -0.89 0.21 0.00 0.00 175.17 174.51 2kwp s THR 58 N -1.90 4.15 0.06 -1.27 2.01 -1.26 -1.70 115.64 115.73 2kwp s THR 58 Ca 0.31 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.06 2kwp s THR 58 Cb -0.09 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2kwp s THR 58 CO 0.23 0.54 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.22 2kwp s PHE 59 N -0.16 0.96 0.07 4.92 0.40 -0.36 -1.88 117.98 121.93 2kwp s PHE 59 Ca 0.04 -0.51 0.08 0.00 -0.60 0.00 0.00 56.93 55.95 2kwp s PHE 59 Cb -0.13 -0.55 -0.03 0.00 0.51 0.00 0.00 43.02 42.83 2kwp s PHE 59 CO 0.02 -0.01 -0.23 -0.98 0.70 0.00 0.00 175.22 174.72 2kwp s ARG 60 N -1.83 1.39 0.10 0.44 1.70 0.12 0.11 118.95 120.98 2kwp s ARG 60 Ca -0.04 -1.09 0.03 0.00 -0.47 0.00 0.00 55.73 54.15 2kwp s ARG 60 Cb -0.09 -1.62 -0.04 0.00 -0.57 0.00 0.00 34.95 32.63 2kwp s ARG 60 CO 0.01 0.40 -0.09 -0.98 -1.08 0.00 0.00 175.30 173.56 2kwp s ARG 61 N -1.52 0.84 0.09 3.89 1.70 -0.79 -0.06 118.95 123.10 2kwp s ARG 61 Ca 0.09 -1.20 0.03 0.00 -0.47 0.00 0.00 55.73 54.18 2kwp s ARG 61 Cb -0.10 -0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 33.79 2kwp s ARG 61 CO 0.03 0.06 -0.09 -1.58 -1.08 0.00 0.00 175.30 172.64 2kwp s TRP 62 N -2.70 0.96 -0.00 5.89 0.51 0.43 -4.38 118.94 119.65 2kwp s TRP 62 Ca 0.07 -0.68 -0.17 0.00 -2.12 0.00 0.00 56.10 53.20 2kwp s TRP 62 Cb -0.01 -0.54 -0.06 0.00 -0.81 0.00 0.00 33.47 32.06 2kwp s TRP 62 CO -0.01 -0.05 0.47 -1.17 -0.51 0.00 0.00 176.95 175.69 2kwp s LEU 63 N -2.40 4.45 -0.10 2.99 1.98 -1.25 0.15 118.68 124.50 2kwp s LEU 63 Ca 0.04 1.03 -0.29 0.00 -2.89 0.00 0.00 54.13 52.01 2kwp s LEU 63 Cb -0.03 -2.71 -0.04 0.00 0.66 0.00 0.00 46.19 44.07 2kwp s LEU 63 CO -0.01 0.24 1.61 -0.69 -1.89 0.00 0.00 176.35 175.61 2kwp s VAL 64 N -0.74 3.68 -0.02 1.68 1.01 0.98 -0.04 120.40 126.96 2kwp s VAL 64 Ca 0.26 0.81 0.06 0.00 0.00 0.00 0.00 61.98 63.12 2kwp s VAL 64 Cb -0.17 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2kwp s VAL 64 CO 0.15 -0.11 -0.21 -0.69 0.00 0.00 0.00 175.10 174.23 2kwp s VAL 65 N 4.24 1.64 -0.32 2.92 1.01 0.52 -2.26 120.40 128.16 2kwp s VAL 65 Ca 0.71 -0.89 0.26 0.00 0.00 0.00 0.00 61.98 62.06 2kwp s VAL 65 Cb -0.30 -1.37 0.28 0.00 0.00 0.00 0.00 36.38 34.99 2kwp s VAL 65 CO 0.28 0.46 1.78 -0.78 0.00 0.00 0.00 175.10 176.84 2kwp h ASP 66 N 5.61 0.00 -0.47 3.32 3.58 -1.91 0.70 116.42 127.25 2kwp h ASP 66 Ca -0.39 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.76 2kwp h ASP 66 Cb 1.14 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.98 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 -2.43 0.97 -1.12 0.28 2.13 -1.26 -4.72 120.64 114.49 2kwp n GLU 67 Ca 0.01 -2.24 -0.48 0.00 0.66 0.00 0.00 57.16 55.11 2kwp n GLU 67 Cb 0.22 -1.22 -0.08 0.00 0.27 0.00 0.00 31.44 30.63 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 0.52 0.00 0.40 6.31 3.14 -1.25 -4.77 118.33 122.68 2kwp n VAL 68 Ca 0.11 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.60 2kwp n VAL 68 Cb 0.68 -0.37 0.12 0.00 -1.06 0.00 0.00 33.84 33.20 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 4.48 0.00 -2.09 1.55 1.35 -1.96 -3.42 112.91 112.82 2kwp h THR 69 Ca -0.20 -0.69 -0.40 0.00 -0.55 0.00 0.00 66.41 64.57 2kwp h THR 69 Cb 1.04 1.27 -0.33 0.00 -1.73 0.00 0.00 68.15 68.40 2kwp h THR 69 CO 0.77 0.00 -0.71 -1.10 -0.25 0.00 0.00 175.52 174.23 2kwp s GLN 70 N -3.23 0.59 0.00 4.72 -0.21 -1.26 -4.98 119.66 115.28 2kwp s GLN 70 Ca 0.04 -0.87 0.09 0.00 0.02 0.00 0.00 55.36 54.64 2kwp s GLN 70 Cb 0.12 -0.83 0.46 0.00 1.00 0.00 0.00 33.01 33.76 2kwp s GLN 70 CO 0.74 -1.18 1.16 -0.35 -2.12 0.00 0.00 175.29 173.54 2kwp n PRO 71 N 4.33 0.13 0.16 2.91 -0.04 -1.26 -1.33 135.00 139.91 2kwp n PRO 71 Ca 0.10 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 63.88 2kwp n PRO 71 Cb 0.44 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.92 -3.32 112.91 109.54 2kwp h THR 72 Ca 0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2kwp h THR 72 Cb 0.08 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 2kwp h THR 72 CO 0.00 0.00 -0.13 1.17 -0.25 0.00 0.00 175.52 176.31 2kwp n LYS 73 N -2.49 0.00 -3.80 4.72 4.81 -0.93 -3.46 118.16 117.01 2kwp n LYS 73 Ca 0.03 -0.26 -0.12 0.00 -0.87 0.00 0.00 58.31 57.08 2kwp n LYS 73 Cb 0.32 -0.13 -0.11 0.00 0.02 0.00 0.00 35.03 35.13 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 0.39 -0.02 1.64 2.02 -0.44 -3.92 118.70 118.37 2kwp s GLU 74 Ca 0.00 0.09 0.06 0.00 0.02 0.00 0.00 54.97 55.14 2kwp s GLU 74 Cb 0.00 0.18 -0.02 0.00 0.10 0.00 0.00 34.13 34.38 2kwp s GLU 74 CO 0.00 -0.08 -0.20 -1.50 0.02 0.00 0.00 175.26 173.50 2kwp s ILE 75 N -0.45 2.60 0.91 -1.63 2.07 0.94 -4.04 121.20 121.60 2kwp s ILE 75 Ca -0.06 -0.97 -0.12 0.00 -1.41 0.00 0.00 60.65 58.09 2kwp s ILE 75 Cb -0.04 -1.99 0.14 0.00 0.13 0.00 0.00 42.46 40.70 2kwp s ILE 75 CO 0.01 0.54 1.12 0.42 -1.91 0.00 0.00 174.94 175.12 2kwp s THR 76 N -0.72 2.24 0.07 4.00 -4.23 -1.26 0.20 115.64 115.94 2kwp s THR 76 Ca 0.11 0.08 -0.27 0.00 -1.18 0.00 0.00 61.69 60.43 2kwp s THR 76 Cb -0.10 -2.74 -0.17 0.00 1.34 0.00 0.00 72.50 70.83 2kwp s THR 76 CO 0.01 -0.10 1.64 0.25 -0.54 0.00 0.00 174.62 175.87 2kwp h LEU 77 N -1.53 -0.30 -0.39 4.79 5.85 0.15 -0.69 115.31 123.18 2kwp h LEU 77 Ca -0.51 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.26 2kwp h LEU 77 Cb 1.32 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.36 2kwp h LEU 77 CO 0.60 -0.17 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.42 2kwp h GLU 78 N -0.41 0.07 -0.95 1.25 4.81 -1.93 0.27 114.58 117.70 2kwp h GLU 78 Ca -0.04 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2kwp h GLU 78 Cb 0.31 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 2kwp h GLU 78 CO 0.06 0.05 0.62 0.00 -0.73 0.00 0.00 179.01 179.00 2kwp h ALA 79 N 1.36 1.49 -0.88 2.92 0.00 -1.86 -0.78 119.26 121.50 2kwp h ALA 79 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2kwp h ALA 79 Cb 0.28 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2kwp h ALA 79 CO -0.35 0.35 0.52 0.00 0.00 0.00 0.00 179.25 179.78 2kwp h ALA 80 N 1.50 1.13 -0.53 0.00 0.00 0.59 -1.88 119.26 120.06 2kwp h ALA 80 Ca 0.42 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2kwp h ALA 80 Cb 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2kwp h ALA 80 CO -0.17 0.59 0.20 0.00 0.00 0.00 0.00 179.25 179.87 2kwp h ARG 81 N 1.22 0.81 -0.85 0.00 3.08 -0.19 0.34 114.38 118.78 2kwp h ARG 81 Ca 0.32 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.24 2kwp h ARG 81 Cb -0.04 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 2kwp h ARG 81 CO -0.06 0.72 0.55 1.88 -1.07 0.00 0.00 179.97 182.00 2kwp h TYR 82 N 0.73 1.04 0.00 3.04 0.05 -0.83 -1.46 116.97 119.54 2kwp h TYR 82 Ca 0.18 0.03 -0.17 0.00 0.05 0.00 0.00 58.73 58.81 2kwp h TYR 82 Cb 0.22 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 2kwp h TYR 82 CO 0.01 0.61 -0.80 0.93 -1.05 0.00 0.00 178.16 177.86 2kwp h GLU 83 N 1.09 0.00 0.00 4.88 4.39 -0.96 -3.44 114.58 120.54 2kwp h GLU 83 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 2kwp h GLU 83 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2kwp h GLU 83 CO -0.11 0.80 0.00 -3.47 -1.16 0.00 0.00 179.01 175.07 2kwp n ASP 84 N -3.57 0.00 0.09 1.42 -0.08 0.11 -4.99 116.55 109.53 2kwp n ASP 84 Ca -0.01 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.47 2kwp n ASP 84 Cb 0.77 0.00 0.60 0.00 2.34 0.00 0.00 41.12 44.83 2kwp n ASP 84 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2kwp h GLU 85 N 0.00 0.00 0.00 -0.67 4.81 -1.44 0.92 114.58 118.20 2kwp h GLU 85 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kwp h GLU 85 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kwp h GLU 85 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.15 2kwp n SER 86 N -3.28 0.35 -4.80 1.04 3.41 -1.26 -4.62 113.62 104.46 2kwp n SER 86 Ca 0.09 0.64 -0.36 0.00 -0.26 0.00 0.00 58.87 58.98 2kwp n SER 86 Cb 0.85 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 2kwp n SER 86 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kwp s LEU 87 N -3.90 4.27 0.00 1.04 1.43 0.32 -5.07 118.68 116.77 2kwp s LEU 87 Ca 0.00 1.62 0.05 0.00 -1.03 0.00 0.00 54.13 54.77 2kwp s LEU 87 Cb 0.05 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 2kwp s LEU 87 CO 0.17 -0.08 0.16 0.59 0.23 0.00 0.00 176.35 177.43 2kwp n ASN 88 N 0.39 0.93 -4.68 2.29 5.03 -1.26 -4.71 115.26 113.25 2kwp n ASN 88 Ca 0.01 -3.13 -0.42 0.00 0.87 0.00 0.00 54.58 51.91 2kwp n ASN 88 Cb 0.51 1.11 -0.03 0.00 -1.02 0.00 0.00 39.78 40.35 2kwp n ASN 88 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2kwp s LEU 89 N 0.00 4.38 0.00 3.41 1.98 -1.26 -1.17 118.68 126.03 2kwp s LEU 89 Ca 0.23 2.57 0.00 0.00 -2.89 0.00 0.00 54.13 54.04 2kwp s LEU 89 Cb 0.01 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 43.31 2kwp s LEU 89 CO 0.16 -0.96 0.00 0.61 -1.89 0.00 0.00 176.35 174.27 2kwp n GLY 90 N 4.21 1.38 3.83 7.98 0.00 -0.96 -5.00 105.19 116.64 2kwp n GLY 90 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.69 6.81 -0.05 1.61 1.01 -0.31 -4.69 116.67 119.36 2kwp s ASP 91 Ca 0.00 1.64 -0.11 0.00 0.71 0.00 0.00 52.55 54.79 2kwp s ASP 91 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 2kwp s ASP 91 CO 0.00 -0.45 0.28 -0.31 0.21 0.00 0.00 175.17 174.90 2kwp s TYR 92 N -2.36 3.67 -0.10 4.23 2.02 -1.26 -0.01 117.35 123.54 2kwp s TYR 92 Ca 0.61 0.77 -0.03 0.00 -0.37 0.00 0.00 57.07 58.04 2kwp s TYR 92 Cb -0.09 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 2kwp s TYR 92 CO 0.20 0.69 0.04 0.54 -1.57 0.00 0.00 175.55 175.45 2kwp s VAL 93 N -1.07 4.66 0.19 0.71 0.11 0.40 -4.90 120.40 120.50 2kwp s VAL 93 Ca 0.20 -0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.21 2kwp s VAL 93 Cb -0.14 -2.98 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 2kwp s VAL 93 CO 0.09 0.61 0.00 -0.70 -3.33 0.00 0.00 175.10 171.77 2kwp s GLU 94 N -0.92 2.40 -0.11 1.54 2.12 -1.26 -0.43 118.70 122.04 2kwp s GLU 94 Ca 0.14 -1.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.03 2kwp s GLU 94 Cb -0.12 -2.33 0.07 0.00 0.26 0.00 0.00 34.13 32.01 2kwp s GLU 94 CO 0.03 0.44 0.68 0.34 -0.54 0.00 0.00 175.26 176.21 2kwp s ASP 95 N -3.06 -0.67 0.01 -1.70 2.15 0.91 -4.93 116.67 109.37 2kwp s ASP 95 Ca 0.28 0.90 -0.18 0.00 0.43 0.00 0.00 52.55 53.98 2kwp s ASP 95 Cb -0.09 0.78 -0.06 0.00 -0.30 0.00 0.00 42.92 43.26 2kwp s ASP 95 CO 0.19 -0.51 0.52 -1.58 -0.17 0.00 0.00 175.17 173.62 2kwp s GLN 96 N -0.77 4.17 0.12 4.34 0.74 -1.26 0.13 119.66 127.13 2kwp s GLN 96 Ca -0.08 0.61 0.04 0.00 0.05 0.00 0.00 55.36 55.99 2kwp s GLN 96 Cb -0.01 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 2kwp s GLN 96 CO 0.07 0.53 -0.11 0.96 -0.55 0.00 0.00 175.29 176.20 2kwp s ILE 97 N -0.68 1.12 0.36 -2.34 -4.36 -0.79 -4.84 121.20 109.67 2kwp s ILE 97 Ca 0.28 -1.84 -0.26 0.00 -0.26 0.00 0.00 60.65 58.57 2kwp s ILE 97 Cb -0.18 -1.61 -0.12 0.00 1.25 0.00 0.00 42.46 41.80 2kwp s ILE 97 CO 0.16 -0.61 0.93 -0.62 0.24 0.00 0.00 174.94 175.04 2kwp n GLU 98 N 0.23 1.21 -4.45 0.37 1.02 -1.26 -4.32 120.64 113.44 2kwp n GLU 98 Ca -0.13 0.43 -0.22 0.00 -0.02 0.00 0.00 57.16 57.21 2kwp n GLU 98 Cb 0.59 -1.86 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kwp s SER 99 N -0.70 3.20 -0.11 1.62 1.04 -1.26 -4.78 113.70 112.72 2kwp s SER 99 Ca 0.61 -1.10 -0.17 0.00 0.48 0.00 0.00 55.95 55.78 2kwp s SER 99 Cb -0.63 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.20 2kwp s SER 99 CO 0.58 -0.14 0.44 0.54 0.98 0.00 0.00 173.24 175.64 2kwp s VAL 100 N -2.75 5.18 0.20 5.02 0.11 -1.26 -5.01 120.40 121.89 2kwp s VAL 100 Ca 0.29 0.88 -0.30 0.00 -2.93 0.00 0.00 61.98 59.92 2kwp s VAL 100 Cb -0.01 -3.78 -0.08 0.00 -1.53 0.00 0.00 36.38 30.98 2kwp s VAL 100 CO 0.13 0.37 1.21 -0.89 -3.33 0.00 0.00 175.10 172.59 2kwp s THR 101 N 0.35 3.50 0.32 5.04 2.01 -1.26 -4.90 115.64 120.69 2kwp s THR 101 Ca 0.24 1.27 0.03 0.00 0.31 0.00 0.00 61.69 63.54 2kwp s THR 101 Cb -0.15 -3.81 0.29 0.00 0.01 0.00 0.00 72.50 68.83 2kwp s THR 101 CO 0.10 0.21 1.90 0.15 -0.69 0.00 0.00 174.62 176.29 2kwp h PHE 102 N 5.13 0.98 -0.68 4.92 3.57 -1.96 0.10 116.94 129.01 2kwp h PHE 102 Ca -0.45 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.18 2kwp h PHE 102 Cb 1.21 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 2kwp h PHE 102 CO 0.62 0.48 0.45 -0.44 -2.23 0.00 0.00 178.31 177.19 2kwp h ASP 103 N 0.94 0.45 -0.76 0.41 3.32 -1.99 0.26 116.42 119.04 2kwp h ASP 103 Ca 0.40 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.55 2kwp h ASP 103 Cb 0.32 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 2kwp h ASP 103 CO -0.16 0.26 0.50 -0.09 -1.72 0.00 0.00 179.24 178.03 2kwp h ARG 104 N 0.49 0.67 -5.27 3.56 2.43 -1.34 -3.38 114.38 111.54 2kwp h ARG 104 Ca 0.32 -0.04 -0.67 0.00 -0.81 0.00 0.00 59.98 58.78 2kwp h ARG 104 Cb 0.57 -0.15 -0.30 0.00 -0.42 0.00 0.00 29.97 29.67 2kwp h ARG 104 CO -0.10 0.44 -0.81 0.42 -1.51 0.00 0.00 179.97 178.42 2kwp s ILE 105 N -5.64 2.68 -0.35 1.20 1.01 0.08 -5.02 121.20 115.16 2kwp s ILE 105 Ca -0.09 -0.78 0.14 0.00 0.00 0.00 0.00 60.65 59.91 2kwp s ILE 105 Cb 0.20 -2.11 0.40 0.00 0.01 0.00 0.00 42.46 40.96 2kwp s ILE 105 CO 0.77 0.53 0.86 0.35 0.00 0.00 0.00 174.94 177.45 2kwp n THR 106 N 3.77 0.32 -4.42 2.92 -2.24 -1.26 -4.85 114.28 108.52 2kwp n THR 106 Ca -0.19 -3.73 -0.25 0.00 -2.27 0.00 0.00 64.05 57.61 2kwp n THR 106 Cb 0.52 0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.89 2kwp n THR 106 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2kwp s THR 107 N -2.53 2.44 -0.05 4.28 -4.23 -1.26 -5.01 115.64 109.28 2kwp s THR 107 Ca 0.33 -2.05 0.31 0.00 -1.18 0.00 0.00 61.69 59.10 2kwp s THR 107 Cb 0.39 -2.76 0.36 0.00 1.34 0.00 0.00 72.50 71.84 2kwp s THR 107 CO -0.03 -0.19 1.91 1.56 -0.54 0.00 0.00 174.62 177.34 2kwp h GLN 108 N 1.88 0.00 -0.92 3.99 4.20 -2.01 -2.97 115.11 119.27 2kwp h GLN 108 Ca -0.43 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.54 2kwp h GLN 108 Cb 1.25 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.98 2kwp h GLN 108 CO 0.69 0.00 0.65 1.79 -0.67 0.00 0.00 178.83 181.29 2kwp h THR 109 N 0.00 0.57 -0.27 -0.54 1.35 -1.99 0.12 112.91 112.14 2kwp h THR 109 Ca 0.00 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 2kwp h THR 109 Cb 0.48 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.34 2kwp h THR 109 CO 0.00 0.02 0.09 0.00 -0.25 0.00 0.00 175.52 175.38 2kwp h ALA 110 N 1.56 0.35 0.00 6.62 0.00 -1.95 -2.65 119.26 123.20 2kwp h ALA 110 Ca 0.45 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2kwp h ALA 110 Cb 1.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2kwp h ALA 110 CO -0.06 -0.03 -0.49 0.87 0.00 0.00 0.00 179.25 179.55 2kwp h LYS 111 N 0.27 0.00 -0.99 0.00 1.57 -1.04 -2.97 116.57 113.42 2kwp h LYS 111 Ca 0.09 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.97 2kwp h LYS 111 Cb 0.23 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 2kwp h LYS 111 CO -0.00 0.49 0.63 0.37 -0.57 0.00 0.00 179.45 180.36 2kwp h GLN 112 N 0.00 1.00 0.00 3.15 4.15 -0.83 0.19 115.11 122.77 2kwp h GLN 112 Ca -0.00 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 2kwp h GLN 112 Cb 0.90 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 2kwp h GLN 112 CO 0.06 0.66 -0.21 -0.39 -1.93 0.00 0.00 178.83 177.02 2kwp h VAL 113 N 1.03 0.60 -0.09 2.39 -1.51 -1.42 -1.72 116.25 115.53 2kwp h VAL 113 Ca 0.47 -0.99 -0.15 0.00 -1.23 0.00 0.00 66.70 64.81 2kwp h VAL 113 Cb 0.40 1.65 0.01 0.00 -2.13 0.00 0.00 31.29 31.22 2kwp h VAL 113 CO -0.23 0.21 -0.51 0.40 -1.23 0.00 0.00 177.57 176.21 2kwp h ILE 114 N 0.00 1.37 -0.12 7.19 2.04 -0.70 -1.24 117.51 126.05 2kwp h ILE 114 Ca -0.00 -1.85 -0.16 0.00 1.00 0.00 0.00 64.86 63.85 2kwp h ILE 114 Cb 0.63 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 2kwp h ILE 114 CO 0.03 0.55 -0.60 1.62 0.00 0.00 0.00 178.15 179.75 2kwp h VAL 115 N 0.10 1.35 -0.26 1.67 3.04 -1.23 -1.22 116.25 119.71 2kwp h VAL 115 Ca -0.04 -1.92 -0.15 0.00 -1.01 0.00 0.00 66.70 63.58 2kwp h VAL 115 Cb 1.16 1.92 -0.00 0.00 -2.01 0.00 0.00 31.29 32.36 2kwp h VAL 115 CO 0.11 0.58 -0.44 1.56 -1.01 0.00 0.00 177.57 178.37 2kwp h GLN 116 N 0.31 0.75 -0.33 4.17 4.20 -1.33 -2.39 115.11 120.49 2kwp h GLN 116 Ca -0.00 -0.47 -0.14 0.00 0.06 0.00 0.00 58.65 58.10 2kwp h GLN 116 Cb 1.13 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 2kwp h GLN 116 CO 0.10 1.09 -0.33 0.87 -0.67 0.00 0.00 178.83 179.90 2kwp h LYS 117 N 0.49 0.80 -0.91 1.46 1.57 -1.19 -2.76 116.57 116.02 2kwp h LYS 117 Ca 0.02 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2kwp h LYS 117 Cb 1.04 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 2kwp h LYS 117 CO 0.10 1.06 0.58 0.28 -0.57 0.00 0.00 179.45 180.90 2kwp h VAL 118 N 0.58 1.24 -0.29 0.50 2.07 -1.22 -1.71 116.25 117.43 2kwp h VAL 118 Ca 0.05 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 2kwp h VAL 118 Cb 0.91 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2kwp h VAL 118 CO 0.08 0.24 -0.05 0.03 0.02 0.00 0.00 177.57 177.89 2kwp h ARG 119 N 1.24 0.45 0.00 1.57 3.08 -1.34 -1.93 114.38 117.46 2kwp h ARG 119 Ca 0.33 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 2kwp h ARG 119 Cb -0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2kwp h ARG 119 CO -0.07 0.52 -0.17 0.93 -1.07 0.00 0.00 179.97 180.11 2kwp h GLU 120 N 0.43 0.00 -0.66 0.04 5.08 -1.02 -2.27 114.58 116.18 2kwp h GLU 120 Ca 0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2kwp h GLU 120 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2kwp h GLU 120 CO 0.02 0.17 0.22 0.00 -1.00 0.00 0.00 179.01 178.43 2kwp h ALA 121 N 1.83 1.15 -0.01 3.43 0.00 -1.12 -2.02 119.26 122.51 2kwp h ALA 121 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2kwp h ALA 121 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kwp h ALA 121 CO 0.02 0.60 -0.29 1.49 0.00 0.00 0.00 179.25 181.07 2kwp h GLU 122 N 0.97 0.02 -1.00 0.00 4.81 -1.45 -2.63 114.58 115.30 2kwp h GLU 122 Ca 0.22 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.54 2kwp h GLU 122 Cb 0.25 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.55 2kwp h GLU 122 CO -0.01 0.31 0.64 -0.09 -0.73 0.00 0.00 179.01 179.13 2kwp h ARG 123 N 0.02 1.06 -6.14 1.92 2.43 -1.31 -3.38 114.38 108.98 2kwp h ARG 123 Ca 0.00 -0.06 -0.58 0.00 -0.81 0.00 0.00 59.98 58.53 2kwp h ARG 123 Cb 0.53 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 2kwp h ARG 123 CO 0.04 0.70 0.78 0.00 -1.51 0.00 0.00 179.97 179.98 2kwp s ALA 124 N -5.99 3.60 0.28 2.80 0.00 -0.99 -4.91 121.76 116.55 2kwp s ALA 124 Ca -0.12 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 2kwp s ALA 124 Cb 0.21 -3.57 0.40 0.00 0.00 0.00 0.00 23.12 20.16 2kwp s ALA 124 CO 0.81 -1.23 1.84 0.52 0.00 0.00 0.00 175.76 177.70 2kwp h MET 125 N 7.75 0.85 -5.77 0.00 2.86 -1.84 -3.41 114.93 115.36 2kwp h MET 125 Ca -0.20 -0.16 -0.65 0.00 -2.06 0.00 0.00 59.70 56.63 2kwp h MET 125 Cb 1.06 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.53 2kwp h MET 125 CO 0.99 0.74 -0.42 -0.51 1.06 0.00 0.00 176.91 178.78 2kwp s LEU 126 N -9.39 4.40 0.27 1.22 1.43 -1.26 -5.10 118.68 110.25 2kwp s LEU 126 Ca -0.10 0.55 0.12 0.00 -1.03 0.00 0.00 54.13 53.67 2kwp s LEU 126 Cb 0.16 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2kwp s LEU 126 CO 0.80 0.35 -0.20 0.68 0.23 0.00 0.00 176.35 178.21 2kwp s VAL 127 N -1.12 2.48 0.36 -1.59 -7.23 -1.26 -5.11 120.40 106.92 2kwp s VAL 127 Ca 0.20 -2.37 -0.27 0.00 -1.81 0.00 0.00 61.98 57.73 2kwp s VAL 127 Cb -0.13 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.43 2kwp s VAL 127 CO 0.09 -0.38 1.20 -2.16 -0.31 0.00 0.00 175.10 173.55 2kwp s PRO 128 N -3.44 4.24 0.00 4.82 0.04 -1.26 -5.25 135.00 134.15 2kwp s PRO 128 Ca 0.29 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2kwp s PRO 128 Cb -0.05 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2kwp s PRO 128 CO 0.15 -0.19 0.00 -2.13 0.04 0.00 0.00 177.00 174.87