#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 6.04 0.54 7.83 2.47 0.08 -4.90 114.94 127.01 2kwp s ASN 2 Ca 0.00 -1.90 0.25 0.00 0.42 0.00 0.00 52.86 51.63 2kwp s ASN 2 Cb 0.00 -2.14 1.52 0.00 -1.45 0.00 0.00 41.25 39.18 2kwp s ASN 2 CO 0.00 -0.78 2.15 0.50 -3.72 0.00 0.00 177.10 175.25 2kwp h LYS 3 N 8.66 0.00 -0.85 0.43 3.64 -1.85 -1.93 116.57 124.66 2kwp h LYS 3 Ca -0.24 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 2kwp h LYS 3 Cb 1.09 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 2kwp h LYS 3 CO 0.96 0.06 0.46 0.93 -2.27 0.00 0.00 179.45 179.59 2kwp h GLU 4 N 0.00 1.19 -0.57 1.90 5.08 -1.93 -2.35 114.58 117.89 2kwp h GLU 4 Ca -0.00 -0.14 0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2kwp h GLU 4 Cb 0.14 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 2kwp h GLU 4 CO 0.01 0.88 0.23 0.82 -1.00 0.00 0.00 179.01 179.94 2kwp h ILE 5 N 1.19 0.82 -0.12 3.13 2.04 -1.72 0.57 117.51 123.42 2kwp h ILE 5 Ca 0.30 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 2kwp h ILE 5 Cb 0.04 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2kwp h ILE 5 CO -0.05 0.08 -0.16 -0.07 0.00 0.00 0.00 178.15 177.95 2kwp h LEU 6 N 0.42 0.18 -0.31 1.44 4.07 -1.52 -2.36 115.31 117.23 2kwp h LEU 6 Ca 0.28 -0.04 -0.04 0.00 0.08 0.00 0.00 57.88 58.16 2kwp h LEU 6 Cb 0.31 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 2kwp h LEU 6 CO -0.27 0.36 0.04 0.00 -1.08 0.00 0.00 178.44 177.50 2kwp h ALA 7 N 1.66 0.41 -0.28 1.53 0.00 -0.47 -2.05 119.26 120.05 2kwp h ALA 7 Ca 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2kwp h ALA 7 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2kwp h ALA 7 CO 0.03 0.12 -0.06 0.28 0.00 0.00 0.00 179.25 179.61 2kwp h VAL 8 N 0.34 1.20 -0.03 0.00 2.07 -0.99 -2.08 116.25 116.75 2kwp h VAL 8 Ca 0.09 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 2kwp h VAL 8 Cb 0.36 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2kwp h VAL 8 CO 0.01 0.28 -0.41 0.58 0.02 0.00 0.00 177.57 178.04 2kwp h VAL 9 N 0.43 1.30 -0.12 2.57 2.07 -1.12 -2.62 116.25 118.76 2kwp h VAL 9 Ca 0.09 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 2kwp h VAL 9 Cb 0.37 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2kwp h VAL 9 CO 0.02 0.42 -0.27 -0.08 0.02 0.00 0.00 177.57 177.67 2kwp h GLU 10 N 0.06 0.22 -0.19 1.57 4.81 -0.66 -0.30 114.58 120.09 2kwp h GLU 10 Ca 0.00 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.02 2kwp h GLU 10 Cb 0.75 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2kwp h GLU 10 CO 0.06 0.48 -0.47 0.00 -0.73 0.00 0.00 179.01 178.35 2kwp h ALA 11 N 1.52 0.82 0.00 2.92 0.00 -1.37 -2.29 119.26 120.87 2kwp h ALA 11 Ca 0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2kwp h ALA 11 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kwp h ALA 11 CO 0.04 0.66 -0.48 0.28 0.00 0.00 0.00 179.25 179.75 2kwp h VAL 12 N 0.40 0.52 -0.00 0.00 2.07 -1.38 -1.16 116.25 116.70 2kwp h VAL 12 Ca 0.02 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.78 2kwp h VAL 12 Cb 0.98 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2kwp h VAL 12 CO 0.09 0.29 -0.00 -1.28 0.02 0.00 0.00 177.57 176.69 2kwp h SER 13 N 0.00 0.00 0.38 0.57 0.87 -0.87 -1.90 113.55 112.61 2kwp h SER 13 Ca -0.02 -0.70 -0.28 0.00 -1.23 0.00 0.00 61.79 59.57 2kwp h SER 13 Cb 1.27 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.24 2kwp h SER 13 CO 0.04 0.70 -1.20 -0.55 -0.53 0.00 0.00 176.83 175.29 2kwp h ASN 14 N -0.69 0.63 -0.28 6.23 7.08 -1.53 0.80 115.58 127.82 2kwp h ASN 14 Ca -0.00 -0.60 -0.01 0.00 -3.08 0.00 0.00 56.30 52.61 2kwp h ASN 14 Cb 0.70 -0.20 -0.01 0.00 -2.08 0.00 0.00 38.32 36.73 2kwp h ASN 14 CO 0.00 1.44 0.13 -0.08 -2.08 0.00 0.00 177.43 176.84 2kwp h GLU 15 N 0.18 0.40 -0.24 4.14 4.81 -1.31 -2.83 114.58 119.73 2kwp h GLU 15 Ca -0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2kwp h GLU 15 Cb 1.89 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.20 2kwp h GLU 15 CO 0.21 0.40 0.00 1.63 -0.73 0.00 0.00 179.01 180.52 2kwp n LYS 16 N -4.79 2.42 -1.29 1.92 5.02 -0.71 -4.92 118.16 115.80 2kwp n LYS 16 Ca -0.02 -2.11 -0.10 0.00 -2.02 0.00 0.00 58.31 54.06 2kwp n LYS 16 Cb 0.11 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 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 1.40 -0.15 -2.25 7.82 0.00 0.26 -4.94 120.51 122.64 2kwp n ALA 17 Ca 0.17 0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.49 2kwp n ALA 17 Cb 0.60 -1.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.28 3.70 0.27 0.00 1.43 -0.08 -4.92 118.68 116.79 2kwp s LEU 18 Ca 0.00 0.99 -0.29 0.00 -1.03 0.00 0.00 54.13 53.79 2kwp s LEU 18 Cb 0.00 -3.92 -0.10 0.00 0.03 0.00 0.00 46.19 42.21 2kwp s LEU 18 CO 0.00 -0.51 1.24 -2.16 0.23 0.00 0.00 176.35 175.15 2kwp s PRO 19 N -4.44 4.46 0.24 1.29 0.04 -1.26 -4.29 135.00 131.04 2kwp s PRO 19 Ca 0.48 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.51 2kwp s PRO 19 Cb -0.10 -3.15 0.38 0.00 0.04 0.00 0.00 34.50 31.66 2kwp s PRO 19 CO 0.40 -0.08 1.80 0.00 0.04 0.00 0.00 177.00 179.16 2kwp h ARG 20 N 4.15 0.70 0.25 4.56 3.08 -1.93 -2.42 114.38 122.78 2kwp h ARG 20 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2kwp h ARG 20 Cb 1.22 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 2kwp h ARG 20 CO 0.70 0.46 -0.53 1.49 -1.07 0.00 0.00 179.97 181.02 2kwp h GLU 21 N 0.72 -0.82 -0.63 0.04 4.81 -1.98 -1.03 114.58 115.70 2kwp h GLU 21 Ca 0.38 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.78 2kwp h GLU 21 Cb 0.37 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 29.81 2kwp h GLU 21 CO -0.25 -0.54 -0.29 -0.22 -0.73 0.00 0.00 179.01 176.97 2kwp h LYS 22 N -0.85 -0.11 -0.61 1.92 3.64 -1.84 0.27 116.57 118.99 2kwp h LYS 22 Ca -0.03 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.49 2kwp h LYS 22 Cb 0.81 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.54 2kwp h LYS 22 CO -0.22 -0.07 -0.07 0.82 -2.27 0.00 0.00 179.45 177.64 2kwp h ILE 23 N -0.11 0.44 -0.83 2.00 2.04 -0.92 0.82 117.51 120.94 2kwp h ILE 23 Ca 0.26 -0.02 0.20 0.00 1.00 0.00 0.00 64.86 66.30 2kwp h ILE 23 Cb 0.54 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 2kwp h ILE 23 CO -0.70 0.01 0.57 -0.26 0.00 0.00 0.00 178.15 177.77 2kwp h PHE 24 N 0.06 0.38 -0.35 1.37 0.04 0.80 0.20 116.94 119.43 2kwp h PHE 24 Ca 0.31 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.06 2kwp h PHE 24 Cb 0.50 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2kwp h PHE 24 CO -0.43 0.11 0.11 1.49 -0.60 0.00 0.00 178.31 178.99 2kwp h GLU 25 N 0.29 0.55 -0.22 1.51 4.81 0.13 -0.70 114.58 120.95 2kwp h GLU 25 Ca 0.42 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 2kwp h GLU 25 Cb 1.19 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2kwp h GLU 25 CO -0.12 0.58 -0.01 0.00 -0.73 0.00 0.00 179.01 178.73 2kwp h ALA 26 N 0.95 0.29 -0.59 2.92 0.00 -0.27 -2.13 119.26 120.42 2kwp h ALA 26 Ca 0.11 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2kwp h ALA 26 Cb 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2kwp h ALA 26 CO -0.00 0.02 0.22 -0.07 0.00 0.00 0.00 179.25 179.42 2kwp h LEU 27 N 0.15 0.22 -0.97 0.00 3.38 -0.81 0.52 115.31 117.81 2kwp h LEU 27 Ca 0.06 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2kwp h LEU 27 Cb 0.41 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2kwp h LEU 27 CO 0.01 0.14 0.64 -0.33 0.09 0.00 0.00 178.44 178.99 2kwp h GLU 28 N 0.40 1.24 -0.40 1.13 5.08 -0.94 0.30 114.58 121.40 2kwp h GLU 28 Ca 0.29 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 2kwp h GLU 28 Cb 0.35 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2kwp h GLU 28 CO -0.29 0.82 -0.06 1.03 -1.00 0.00 0.00 179.01 179.51 2kwp h SER 29 N 1.28 0.65 -0.21 1.42 0.87 -0.34 -0.74 113.55 116.48 2kwp h SER 29 Ca 0.37 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 2kwp h SER 29 Cb -0.08 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2kwp h SER 29 CO -0.10 0.76 -0.26 0.00 -0.53 0.00 0.00 176.83 176.70 2kwp h ALA 30 N 1.31 0.32 -0.55 6.23 0.00 0.13 -0.48 119.26 126.22 2kwp h ALA 30 Ca 0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2kwp h ALA 30 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2kwp h ALA 30 CO 0.03 0.30 0.21 -0.07 0.00 0.00 0.00 179.25 179.72 2kwp h LEU 31 N 0.23 0.77 0.00 0.00 3.38 -0.78 -1.32 115.31 117.60 2kwp h LEU 31 Ca 0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kwp h LEU 31 Cb 0.83 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kwp h LEU 31 CO 0.06 0.74 -0.00 0.00 0.09 0.00 0.00 178.44 179.33 2kwp h ALA 32 N 1.06 -0.00 -0.78 1.53 0.00 -1.10 0.67 119.26 120.63 2kwp h ALA 32 Ca 0.18 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.08 2kwp h ALA 32 Cb 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 2kwp h ALA 32 CO -0.01 -0.37 0.38 1.15 0.00 0.00 0.00 179.25 180.40 2kwp h THR 33 N -0.27 0.75 -0.07 0.00 2.02 -0.94 -0.44 112.91 113.96 2kwp h THR 33 Ca -0.00 -0.20 -0.18 0.00 0.77 0.00 0.00 66.41 66.81 2kwp h THR 33 Cb 0.27 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2kwp h THR 33 CO 0.00 0.10 -0.64 0.00 0.37 0.00 0.00 175.52 175.35 2kwp h ALA 34 N 1.52 0.17 -0.67 6.16 0.00 -1.03 -3.10 119.26 122.30 2kwp h ALA 34 Ca 0.42 -0.56 0.13 0.00 0.00 0.00 0.00 54.91 54.89 2kwp h ALA 34 Cb 0.55 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 2kwp h ALA 34 CO -0.34 0.45 0.17 1.15 0.00 0.00 0.00 179.25 180.68 2kwp h THR 35 N 0.15 0.60 -0.11 0.00 2.02 0.14 0.41 112.91 116.12 2kwp h THR 35 Ca -0.06 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 2kwp h THR 35 Cb 1.31 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2kwp h THR 35 CO 0.13 0.05 -0.04 0.11 0.37 0.00 0.00 175.52 176.15 2kwp h LYS 36 N 0.29 0.16 -0.66 6.66 1.57 -1.13 -1.70 116.57 121.75 2kwp h LYS 36 Ca 0.36 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.16 2kwp h LYS 36 Cb 0.57 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 2kwp h LYS 36 CO -0.44 0.21 0.44 0.87 -0.57 0.00 0.00 179.45 179.96 2kwp h LYS 37 N 0.16 0.73 -0.64 3.15 1.57 -0.10 0.64 116.57 122.08 2kwp h LYS 37 Ca 0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kwp h LYS 37 Cb 0.17 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2kwp h LYS 37 CO 0.01 0.49 0.41 -0.22 -0.57 0.00 0.00 179.45 179.56 2kwp h LYS 38 N 0.76 0.85 -0.05 3.15 3.64 -1.09 -2.36 116.57 121.46 2kwp h LYS 38 Ca 0.27 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.41 2kwp h LYS 38 Cb 0.13 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2kwp h LYS 38 CO -0.08 0.58 -0.75 1.88 -2.27 0.00 0.00 179.45 178.80 2kwp h TYR 39 N 0.87 0.45 -0.48 1.91 0.05 -1.33 -3.46 116.97 114.98 2kwp h TYR 39 Ca 0.23 -0.21 -0.21 0.00 0.05 0.00 0.00 58.73 58.60 2kwp h TYR 39 Cb -0.08 -0.07 -0.08 0.00 1.01 0.00 0.00 36.73 37.52 2kwp h TYR 39 CO -0.03 0.96 -0.19 0.39 -1.05 0.00 0.00 178.16 178.25 2kwp n GLU 40 N -3.80 -1.44 -0.55 4.88 1.02 0.11 -4.80 120.64 116.07 2kwp n GLU 40 Ca -0.04 0.82 0.06 0.00 -0.02 0.00 0.00 57.16 57.98 2kwp n GLU 40 Cb 0.72 -5.08 0.27 0.00 -0.02 0.00 0.00 31.44 27.32 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 -1.24 2.98 -4.02 3.49 6.02 -1.26 -4.96 117.38 118.39 2kwp n GLN 41 Ca -0.10 -2.92 -0.34 0.00 -0.01 0.00 0.00 57.00 53.63 2kwp n GLN 41 Cb 0.51 -1.90 -0.01 0.00 1.02 0.00 0.00 30.24 29.86 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 -0.49 -1.42 -3.61 -1.09 1.02 -1.26 -4.64 120.64 109.16 2kwp n GLU 42 Ca 0.24 0.24 -0.28 0.00 -0.02 0.00 0.00 57.16 57.34 2kwp n GLU 42 Cb 0.96 -3.63 -0.03 0.00 -0.02 0.00 0.00 31.44 28.72 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 -3.84 5.16 -0.16 -3.67 -4.36 -1.25 -4.46 121.20 108.62 2kwp s ILE 43 Ca 0.24 -0.22 -0.29 0.00 -0.26 0.00 0.00 60.65 60.12 2kwp s ILE 43 Cb -0.11 -3.72 -0.00 0.00 1.25 0.00 0.00 42.46 39.87 2kwp s ILE 43 CO 0.93 -0.18 1.02 -0.62 0.24 0.00 0.00 174.94 176.33 2kwp s ASP 44 N -3.07 7.18 0.00 4.36 2.15 -1.26 -4.82 116.67 121.21 2kwp s ASP 44 Ca 0.40 1.47 0.04 0.00 0.43 0.00 0.00 52.55 54.89 2kwp s ASP 44 Cb -0.11 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 39.95 2kwp s ASP 44 CO 0.29 -0.54 -0.12 -0.69 -0.17 0.00 0.00 175.17 173.94 2kwp s VAL 45 N 2.49 0.96 -0.04 1.11 1.01 -1.26 0.89 120.40 125.56 2kwp s VAL 45 Ca 0.47 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2kwp s VAL 45 Cb -0.17 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.39 2kwp s VAL 45 CO 0.13 0.19 -0.12 -0.60 0.00 0.00 0.00 175.10 174.70 2kwp s ARG 46 N -0.50 1.45 -0.06 2.72 3.52 0.34 -4.81 118.95 121.61 2kwp s ARG 46 Ca 0.04 -0.43 0.06 0.00 -0.13 0.00 0.00 55.73 55.26 2kwp s ARG 46 Cb -0.05 -1.26 -0.01 0.00 -1.56 0.00 0.00 34.95 32.06 2kwp s ARG 46 CO -0.00 0.12 -0.23 0.14 -0.81 0.00 0.00 175.30 174.52 2kwp s VAL 47 N 0.32 2.22 -0.07 7.11 -7.23 -1.26 0.15 120.40 121.65 2kwp s VAL 47 Ca -0.07 -1.01 0.02 0.00 -1.81 0.00 0.00 61.98 59.11 2kwp s VAL 47 Cb -0.12 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 2kwp s VAL 47 CO 0.02 0.57 -0.11 -1.58 -0.31 0.00 0.00 175.10 173.69 2kwp s GLN 48 N -0.21 2.73 0.01 4.82 2.00 0.13 -4.77 119.66 124.37 2kwp s GLN 48 Ca -0.02 -0.63 0.06 0.00 -2.00 0.00 0.00 55.36 52.77 2kwp s GLN 48 Cb -0.13 -2.51 -0.03 0.00 0.80 0.00 0.00 33.01 31.14 2kwp s GLN 48 CO 0.03 0.58 -0.16 0.42 -0.50 0.00 0.00 175.29 175.66 2kwp s ILE 49 N -0.60 2.92 -0.48 -2.34 1.01 -1.26 0.12 121.20 120.57 2kwp s ILE 49 Ca 0.09 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 2kwp s ILE 49 Cb -0.11 -2.21 0.11 0.00 0.01 0.00 0.00 42.46 40.26 2kwp s ILE 49 CO 0.01 0.41 0.38 -1.81 0.00 0.00 0.00 174.94 173.93 2kwp s ASP 50 N -1.24 5.85 0.46 3.58 1.01 0.65 -4.88 116.67 122.10 2kwp s ASP 50 Ca 0.14 -1.78 0.21 0.00 0.71 0.00 0.00 52.55 51.83 2kwp s ASP 50 Cb -0.11 -2.07 1.13 0.00 1.01 0.00 0.00 42.92 42.89 2kwp s ASP 50 CO 0.04 -0.71 1.97 -0.09 0.21 0.00 0.00 175.17 176.59 2kwp h ARG 51 N 8.58 0.00 -0.84 8.23 2.43 -1.94 2.38 114.38 133.21 2kwp h ARG 51 Ca -0.24 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.13 2kwp h ARG 51 Cb 1.08 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 2kwp h ARG 51 CO 0.89 0.21 0.57 0.87 -1.51 0.00 0.00 179.97 181.00 2kwp h LYS 52 N 0.00 0.29 0.00 0.20 6.56 -1.96 -3.32 116.57 118.34 2kwp h LYS 52 Ca -0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2kwp h LYS 52 Cb 0.46 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2kwp h LYS 52 CO 0.03 0.19 -0.19 -1.13 -2.06 0.00 0.00 179.45 176.29 2kwp n SER 53 N -4.45 0.94 0.00 0.86 3.41 -0.97 -5.03 113.62 108.38 2kwp n SER 53 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2kwp n SER 53 Cb 0.71 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 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 0.88 1.92 3.49 5.00 0.00 0.80 -4.17 105.19 113.11 2kwp n GLY 54 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2kwp n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kwp s ASP 55 N -2.00 5.29 0.15 1.61 2.15 -0.86 -0.74 116.67 122.27 2kwp s ASP 55 Ca 0.00 -0.14 0.10 0.00 0.43 0.00 0.00 52.55 52.94 2kwp s ASP 55 Cb 0.00 -1.95 -0.04 0.00 -0.30 0.00 0.00 42.92 40.63 2kwp s ASP 55 CO 0.00 -0.00 -0.24 0.72 -0.17 0.00 0.00 175.17 175.48 2kwp s PHE 56 N 1.44 2.15 0.11 -5.34 -0.71 -1.26 0.24 117.98 114.61 2kwp s PHE 56 Ca 0.06 -0.39 0.07 0.00 -1.04 0.00 0.00 56.93 55.62 2kwp s PHE 56 Cb -0.15 -1.13 -0.03 0.00 -1.21 0.00 0.00 43.02 40.50 2kwp s PHE 56 CO 0.04 0.36 -0.17 -0.51 -1.34 0.00 0.00 175.22 173.60 2kwp s ASP 57 N -2.29 2.20 -0.11 1.98 1.01 0.32 -4.92 116.67 114.87 2kwp s ASP 57 Ca 0.15 -0.71 -0.01 0.00 0.71 0.00 0.00 52.55 52.68 2kwp s ASP 57 Cb -0.09 -0.10 -0.03 0.00 1.01 0.00 0.00 42.92 43.71 2kwp s ASP 57 CO 0.07 -0.03 -0.05 -0.89 0.21 0.00 0.00 175.17 174.48 2kwp s THR 58 N -1.50 3.84 0.10 -1.27 2.01 -1.26 0.17 115.64 117.73 2kwp s THR 58 Ca 0.06 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.70 2kwp s THR 58 Cb -0.08 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 2kwp s THR 58 CO 0.04 0.55 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.04 2kwp s PHE 59 N -0.30 1.19 0.33 4.92 0.08 0.40 -1.80 117.98 122.80 2kwp s PHE 59 Ca 0.05 -0.59 0.03 0.00 0.12 0.00 0.00 56.93 56.54 2kwp s PHE 59 Cb -0.13 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.66 2kwp s PHE 59 CO 0.02 0.06 0.50 0.50 -0.10 0.00 0.00 175.22 176.20 2kwp s ARG 60 N -2.58 3.36 -0.01 0.44 3.52 0.69 0.13 118.95 124.50 2kwp s ARG 60 Ca 0.05 -0.58 0.05 0.00 -0.13 0.00 0.00 55.73 55.12 2kwp s ARG 60 Cb -0.05 -2.74 -0.01 0.00 -1.56 0.00 0.00 34.95 30.59 2kwp s ARG 60 CO 0.01 0.16 -0.15 0.50 -0.81 0.00 0.00 175.30 175.01 2kwp s ARG 61 N -4.23 1.20 0.04 5.12 3.00 0.26 -1.34 118.95 123.00 2kwp s ARG 61 Ca 0.40 -0.55 0.00 0.00 -1.00 0.00 0.00 55.73 54.59 2kwp s ARG 61 Cb -0.09 -1.16 -0.03 0.00 0.00 0.00 0.00 34.95 33.66 2kwp s ARG 61 CO 0.33 0.32 -0.04 -1.58 0.00 0.00 0.00 175.30 174.33 2kwp s TRP 62 N -0.37 0.49 0.01 5.12 0.51 -0.57 -4.13 118.94 120.00 2kwp s TRP 62 Ca 0.06 -0.79 0.05 0.00 -2.12 0.00 0.00 56.10 53.30 2kwp s TRP 62 Cb -0.06 -0.34 -0.03 0.00 -0.81 0.00 0.00 33.47 32.23 2kwp s TRP 62 CO -0.00 -0.25 -0.14 -1.17 -0.51 0.00 0.00 176.95 174.87 2kwp s LEU 63 N -2.27 2.77 -0.21 2.99 2.96 -1.25 0.11 118.68 123.78 2kwp s LEU 63 Ca -0.02 -0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 53.29 2kwp s LEU 63 Cb -0.01 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 2kwp s LEU 63 CO -0.05 0.28 1.17 -0.69 -1.32 0.00 0.00 176.35 175.74 2kwp s VAL 64 N -0.90 4.44 -0.03 1.68 1.01 0.24 0.81 120.40 127.66 2kwp s VAL 64 Ca 0.15 1.73 0.05 0.00 0.00 0.00 0.00 61.98 63.90 2kwp s VAL 64 Cb -0.11 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 2kwp s VAL 64 CO 0.05 -0.20 -0.17 -0.69 0.00 0.00 0.00 175.10 174.09 2kwp s VAL 65 N 3.46 1.39 0.05 2.92 1.01 0.32 -1.51 120.40 128.04 2kwp s VAL 65 Ca 0.50 -0.72 0.29 0.00 0.00 0.00 0.00 61.98 62.05 2kwp s VAL 65 Cb -0.18 -1.18 0.29 0.00 0.00 0.00 0.00 36.38 35.32 2kwp s VAL 65 CO 0.12 0.40 1.89 -0.78 0.00 0.00 0.00 175.10 176.72 2kwp h ASP 66 N 6.00 0.00 0.00 3.32 3.58 -1.92 2.15 116.42 129.55 2kwp h ASP 66 Ca -0.35 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 56.87 2kwp h ASP 66 Cb 1.16 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.06 2kwp h ASP 66 CO 0.48 0.00 -0.43 1.21 -2.88 0.00 0.00 179.24 177.62 2kwp n GLU 67 N -2.53 0.96 -1.55 0.28 2.13 -1.26 -4.59 120.64 114.08 2kwp n GLU 67 Ca -0.02 -1.86 -0.64 0.00 0.66 0.00 0.00 57.16 55.30 2kwp n GLU 67 Cb 0.07 -1.06 -0.10 0.00 0.27 0.00 0.00 31.44 30.61 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 0.54 0.00 0.56 6.31 0.31 -1.23 -4.77 118.33 120.05 2kwp n VAL 68 Ca 0.06 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.52 2kwp n VAL 68 Cb 0.69 -0.49 0.34 0.00 -0.91 0.00 0.00 33.84 33.47 2kwp n VAL 68 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2kwp h THR 69 N 5.53 0.00 -1.68 2.52 1.35 -1.96 -3.43 112.91 115.25 2kwp h THR 69 Ca -0.32 -0.56 -0.12 0.00 -0.55 0.00 0.00 66.41 64.86 2kwp h THR 69 Cb 1.36 1.50 -0.28 0.00 -1.73 0.00 0.00 68.15 69.00 2kwp h THR 69 CO 0.99 0.00 -0.46 -1.10 -0.25 0.00 0.00 175.52 174.70 2kwp s GLN 70 N -3.13 0.41 0.00 4.72 -0.21 -1.26 -5.00 119.66 115.19 2kwp s GLN 70 Ca 0.09 0.47 0.16 0.00 0.02 0.00 0.00 55.36 56.10 2kwp s GLN 70 Cb 0.11 -0.26 0.93 0.00 1.00 0.00 0.00 33.01 34.80 2kwp s GLN 70 CO 0.63 -0.78 1.36 -0.35 -2.12 0.00 0.00 175.29 174.03 2kwp n PRO 71 N 5.37 0.48 0.22 2.91 -0.04 -1.26 -2.57 135.00 140.11 2kwp n PRO 71 Ca -0.02 0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.51 2kwp n PRO 71 Cb 0.50 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.97 2kwp n PRO 71 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2kwp h THR 72 N 0.00 1.06 0.00 0.52 1.35 -1.93 -3.31 112.91 110.59 2kwp h THR 72 Ca 0.00 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2kwp h THR 72 Cb 0.01 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2kwp h THR 72 CO 0.00 0.21 -0.17 1.17 -0.25 0.00 0.00 175.52 176.48 2kwp n LYS 73 N -4.14 0.00 -4.00 4.72 4.81 -1.19 -3.91 118.16 114.45 2kwp n LYS 73 Ca -0.02 -0.51 -0.09 0.00 -0.87 0.00 0.00 58.31 56.82 2kwp n LYS 73 Cb 0.28 -0.34 -0.11 0.00 0.02 0.00 0.00 35.03 34.89 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 0.36 -0.12 1.64 2.02 -1.06 -3.88 118.70 117.66 2kwp s GLU 74 Ca 0.00 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.33 2kwp s GLU 74 Cb 0.00 0.08 -0.00 0.00 0.10 0.00 0.00 34.13 34.31 2kwp s GLU 74 CO 0.00 -0.05 -0.20 -1.50 0.02 0.00 0.00 175.26 173.53 2kwp s ILE 75 N -1.68 2.37 0.76 -1.63 2.07 0.24 -4.08 121.20 119.25 2kwp s ILE 75 Ca -0.13 -0.90 -0.15 0.00 -1.41 0.00 0.00 60.65 58.06 2kwp s ILE 75 Cb -0.08 -1.95 0.04 0.00 0.13 0.00 0.00 42.46 40.60 2kwp s ILE 75 CO -0.02 0.54 1.12 0.35 -1.91 0.00 0.00 174.94 175.03 2kwp n THR 76 N 3.65 2.73 0.17 4.00 -2.24 -1.26 -0.52 114.28 120.81 2kwp n THR 76 Ca -0.19 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 2kwp n THR 76 Cb 0.53 -1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 67.49 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 -0.47 -0.80 -0.48 3.22 7.12 0.33 0.73 115.31 124.96 2kwp h LEU 77 Ca -0.47 0.08 0.09 0.00 0.13 0.00 0.00 57.88 57.71 2kwp h LEU 77 Cb 1.32 0.28 -0.08 0.00 -0.53 0.00 0.00 40.66 41.65 2kwp h LEU 77 CO 0.47 -0.41 -0.00 -0.08 -0.13 0.00 0.00 178.44 178.29 2kwp h GLU 78 N -0.58 0.11 -0.90 1.25 4.57 -1.91 0.13 114.58 117.25 2kwp h GLU 78 Ca 0.00 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 2kwp h GLU 78 Cb 0.56 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.06 2kwp h GLU 78 CO -0.09 0.07 0.58 0.00 -1.18 0.00 0.00 179.01 178.40 2kwp h ALA 79 N 1.43 1.52 -0.96 2.92 0.00 -1.76 -0.71 119.26 121.69 2kwp h ALA 79 Ca 0.24 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2kwp h ALA 79 Cb 0.36 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2kwp h ALA 79 CO -0.40 0.34 0.63 0.00 0.00 0.00 0.00 179.25 179.82 2kwp h ALA 80 N 1.51 1.28 -0.50 0.00 0.00 0.16 -0.85 119.26 120.87 2kwp h ALA 80 Ca 0.39 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2kwp h ALA 80 Cb 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2kwp h ALA 80 CO -0.14 0.51 0.02 0.00 0.00 0.00 0.00 179.25 179.64 2kwp h ARG 81 N 1.22 0.86 -0.79 0.00 -0.00 -0.46 0.47 114.38 115.67 2kwp h ARG 81 Ca 0.38 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.98 59.59 2kwp h ARG 81 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 29.97 29.85 2kwp h ARG 81 CO -0.12 0.89 0.43 1.88 0.00 0.00 0.00 179.97 183.04 2kwp h TYR 82 N 0.72 1.08 0.07 3.04 0.05 -0.68 -2.04 116.97 119.22 2kwp h TYR 82 Ca 0.14 -0.02 -0.25 0.00 0.05 0.00 0.00 58.73 58.65 2kwp h TYR 82 Cb 0.48 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 2kwp h TYR 82 CO 0.04 0.75 -1.11 1.49 -1.05 0.00 0.00 178.16 178.28 2kwp h GLU 83 N 1.11 0.22 -0.51 4.88 4.57 -0.88 -3.45 114.58 120.52 2kwp h GLU 83 Ca 0.28 -0.33 0.16 0.00 -1.18 0.00 0.00 59.36 58.28 2kwp h GLU 83 Cb 0.03 0.12 -0.20 0.00 -0.16 0.00 0.00 28.75 28.54 2kwp h GLU 83 CO -0.04 1.13 -0.12 -0.51 -1.18 0.00 0.00 179.01 178.28 2kwp s ASP 84 N -7.03 -0.82 0.64 1.04 1.01 0.16 -4.99 116.67 106.67 2kwp s ASP 84 Ca -0.03 0.15 0.27 0.00 0.71 0.00 0.00 52.55 53.65 2kwp s ASP 84 Cb 0.08 1.54 1.41 0.00 1.01 0.00 0.00 42.92 46.97 2kwp s ASP 84 CO 0.86 -0.15 1.81 -0.33 0.21 0.00 0.00 175.17 177.57 2kwp h GLU 85 N 7.58 0.00 0.00 8.23 5.08 -1.53 0.98 114.58 134.93 2kwp h GLU 85 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 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 -0.01 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.87 2kwp n SER 86 N -3.17 0.13 -4.78 1.42 3.41 -1.26 -4.70 113.62 104.67 2kwp n SER 86 Ca 0.03 0.53 -0.38 0.00 -0.26 0.00 0.00 58.87 58.79 2kwp n SER 86 Cb 0.58 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 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 -3.28 4.39 0.36 1.04 1.43 0.34 -5.06 118.68 117.90 2kwp s LEU 87 Ca 0.06 1.87 0.04 0.00 -1.03 0.00 0.00 54.13 55.08 2kwp s LEU 87 Cb 0.09 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 2kwp s LEU 87 CO 0.29 -0.05 0.16 0.20 0.23 0.00 0.00 176.35 177.17 2kwp s ASN 88 N -1.52 2.22 0.16 2.29 0.01 -1.26 -4.70 114.94 112.14 2kwp s ASN 88 Ca 0.49 -1.64 -0.31 0.00 -0.71 0.00 0.00 52.86 50.69 2kwp s ASN 88 Cb -0.20 0.45 -0.11 0.00 0.41 0.00 0.00 41.25 41.80 2kwp s ASN 88 CO 0.26 -0.92 1.74 -0.22 -1.51 0.00 0.00 177.10 176.45 2kwp s LEU 89 N -3.49 4.38 0.00 0.60 1.98 -1.26 -1.08 118.68 119.81 2kwp s LEU 89 Ca 0.31 2.78 0.00 0.00 -2.89 0.00 0.00 54.13 54.32 2kwp s LEU 89 Cb 0.04 -3.58 0.00 0.00 0.66 0.00 0.00 46.19 43.30 2kwp s LEU 89 CO 0.17 -0.96 0.00 0.61 -1.89 0.00 0.00 176.35 174.28 2kwp n GLY 90 N 4.05 0.75 3.94 7.98 0.00 -0.57 -4.98 105.19 116.37 2kwp n GLY 90 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2kwp n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kwp s ASP 91 N -2.60 5.99 0.06 1.61 2.15 -0.24 -4.77 116.67 118.87 2kwp s ASP 91 Ca 0.00 0.42 0.06 0.00 0.43 0.00 0.00 52.55 53.46 2kwp s ASP 91 Cb 0.00 -1.75 -0.04 0.00 -0.30 0.00 0.00 42.92 40.83 2kwp s ASP 91 CO 0.00 -0.60 -0.11 -0.31 -0.17 0.00 0.00 175.17 173.98 2kwp s TYR 92 N -2.54 2.74 0.13 -5.34 2.02 -1.26 0.83 117.35 113.94 2kwp s TYR 92 Ca 0.46 -0.14 0.09 0.00 -0.37 0.00 0.00 57.07 57.11 2kwp s TYR 92 Cb -0.10 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 2kwp s TYR 92 CO 0.39 0.37 -0.16 0.08 -1.57 0.00 0.00 175.55 174.65 2kwp s VAL 93 N -1.08 2.91 0.07 0.71 1.01 0.31 -4.92 120.40 119.43 2kwp s VAL 93 Ca 0.18 -1.54 0.07 0.00 0.00 0.00 0.00 61.98 60.70 2kwp s VAL 93 Cb -0.11 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2kwp s VAL 93 CO 0.10 0.06 -0.15 -1.61 0.00 0.00 0.00 175.10 173.49 2kwp s GLU 94 N -2.28 2.05 0.02 2.72 2.02 -1.26 -1.51 118.70 120.46 2kwp s GLU 94 Ca 0.19 -1.02 -0.13 0.00 0.02 0.00 0.00 54.97 54.04 2kwp s GLU 94 Cb -0.10 -2.22 0.02 0.00 0.10 0.00 0.00 34.13 31.92 2kwp s GLU 94 CO 0.11 0.52 0.27 0.34 0.02 0.00 0.00 175.26 176.52 2kwp s ASP 95 N -1.79 -0.09 -0.18 -0.19 2.15 -0.45 -4.92 116.67 111.20 2kwp s ASP 95 Ca 0.17 -0.15 -0.11 0.00 0.43 0.00 0.00 52.55 52.89 2kwp s ASP 95 Cb -0.11 0.31 -0.05 0.00 -0.30 0.00 0.00 42.92 42.78 2kwp s ASP 95 CO 0.08 -0.53 0.19 -1.58 -0.17 0.00 0.00 175.17 173.17 2kwp s GLN 96 N -2.08 4.21 0.31 4.34 0.74 -1.26 0.25 119.66 126.17 2kwp s GLN 96 Ca -0.09 -0.10 0.07 0.00 0.05 0.00 0.00 55.36 55.29 2kwp s GLN 96 Cb -0.03 -3.42 -0.06 0.00 1.10 0.00 0.00 33.01 30.60 2kwp s GLN 96 CO -0.01 0.28 -0.04 0.96 -0.55 0.00 0.00 175.29 175.94 2kwp s ILE 97 N 0.39 1.69 0.57 -2.34 -4.36 -0.74 -4.82 121.20 111.59 2kwp s ILE 97 Ca 0.11 -2.10 -0.19 0.00 -0.26 0.00 0.00 60.65 58.21 2kwp s ILE 97 Cb -0.12 -2.60 -0.06 0.00 1.25 0.00 0.00 42.46 40.93 2kwp s ILE 97 CO 0.00 -0.20 0.89 -0.62 0.24 0.00 0.00 174.94 175.25 2kwp n GLU 98 N -0.67 0.90 -4.35 0.37 1.02 -1.26 -4.48 120.64 112.15 2kwp n GLU 98 Ca -0.05 0.34 -0.24 0.00 -0.02 0.00 0.00 57.16 57.20 2kwp n GLU 98 Cb 0.64 -2.07 -0.09 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.16 4.16 -0.15 1.62 1.04 -1.26 -4.81 113.70 113.14 2kwp s SER 99 Ca 0.73 -0.76 -0.09 0.00 0.48 0.00 0.00 55.95 56.31 2kwp s SER 99 Cb -0.44 -0.63 -0.04 0.00 0.10 0.00 0.00 66.02 65.00 2kwp s SER 99 CO 0.50 0.03 0.14 0.54 0.98 0.00 0.00 173.24 175.44 2kwp s VAL 100 N -2.26 5.45 0.49 5.02 0.11 -1.26 -5.07 120.40 122.88 2kwp s VAL 100 Ca 0.30 0.22 -0.22 0.00 -2.93 0.00 0.00 61.98 59.35 2kwp s VAL 100 Cb -0.06 -3.44 -0.06 0.00 -1.53 0.00 0.00 36.38 31.28 2kwp s VAL 100 CO 0.17 0.53 1.21 -0.89 -3.33 0.00 0.00 175.10 172.80 2kwp s THR 101 N -0.38 2.82 0.26 5.04 2.01 -1.26 -4.92 115.64 119.22 2kwp s THR 101 Ca 0.12 0.60 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 2kwp s THR 101 Cb -0.12 -3.30 0.10 0.00 0.01 0.00 0.00 72.50 69.19 2kwp s THR 101 CO 0.02 -0.02 1.74 0.15 -0.69 0.00 0.00 174.62 175.81 2kwp h PHE 102 N 1.78 0.79 -0.08 4.92 3.57 -1.97 -2.13 116.94 123.80 2kwp h PHE 102 Ca -0.50 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 60.90 2kwp h PHE 102 Cb 1.26 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 2kwp h PHE 102 CO 0.51 0.78 0.07 0.38 -2.23 0.00 0.00 178.31 177.81 2kwp h ASP 103 N 0.67 0.00 0.08 0.41 2.03 -2.01 0.05 116.42 117.65 2kwp h ASP 103 Ca 0.12 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.39 2kwp h ASP 103 Cb 0.52 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.01 2kwp h ASP 103 CO 0.03 0.00 -0.12 0.03 -1.03 0.00 0.00 179.24 178.15 2kwp h ARG 104 N 0.00 0.10 -5.76 4.15 3.08 -1.75 -3.41 114.38 110.79 2kwp h ARG 104 Ca 0.04 -0.02 -0.66 0.00 0.07 0.00 0.00 59.98 59.41 2kwp h ARG 104 Cb 0.17 -0.02 -0.18 0.00 0.08 0.00 0.00 29.97 30.02 2kwp h ARG 104 CO -0.00 0.23 -0.65 0.42 -1.07 0.00 0.00 179.97 178.90 2kwp s ILE 105 N -4.76 4.08 0.34 2.04 1.01 0.00 -5.09 121.20 118.82 2kwp s ILE 105 Ca -0.05 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 2kwp s ILE 105 Cb 0.16 -2.73 -0.09 0.00 0.01 0.00 0.00 42.46 39.80 2kwp s ILE 105 CO 0.71 0.56 1.14 -0.89 0.00 0.00 0.00 174.94 176.46 2kwp s THR 106 N -0.41 3.33 0.35 2.92 2.01 -1.26 -4.91 115.64 117.66 2kwp s THR 106 Ca 0.07 1.22 0.04 0.00 0.31 0.00 0.00 61.69 63.32 2kwp s THR 106 Cb -0.12 -3.73 0.21 0.00 0.01 0.00 0.00 72.50 68.87 2kwp s THR 106 CO 0.02 0.20 1.95 0.71 -0.69 0.00 0.00 174.62 176.81 2kwp h THR 107 N 2.72 1.17 -0.85 -0.82 1.35 -1.95 -2.19 112.91 112.33 2kwp h THR 107 Ca -0.48 -0.52 0.10 0.00 -0.55 0.00 0.00 66.41 64.96 2kwp h THR 107 Cb 1.22 0.63 -0.08 0.00 -1.73 0.00 0.00 68.15 68.19 2kwp h THR 107 CO 0.65 0.20 0.49 -0.61 -0.25 0.00 0.00 175.52 176.00 2kwp h GLN 108 N 0.64 0.79 -0.45 4.72 4.15 -2.00 0.22 115.11 123.18 2kwp h GLN 108 Ca 0.16 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.42 2kwp h GLN 108 Cb 0.12 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2kwp h GLN 108 CO -0.02 0.52 -0.15 1.79 -1.93 0.00 0.00 178.83 179.05 2kwp h THR 109 N 0.81 1.26 -0.53 2.39 1.35 -1.78 -2.66 112.91 113.75 2kwp h THR 109 Ca 0.42 -1.25 -0.06 0.00 -0.55 0.00 0.00 66.41 64.97 2kwp h THR 109 Cb 0.41 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 2kwp h THR 109 CO -0.26 0.43 0.09 0.00 -0.25 0.00 0.00 175.52 175.53 2kwp h ALA 110 N 1.07 0.70 -0.67 6.62 0.00 -0.93 -2.58 119.26 123.46 2kwp h ALA 110 Ca 0.12 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kwp h ALA 110 Cb 0.66 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2kwp h ALA 110 CO 0.05 0.43 0.44 0.87 0.00 0.00 0.00 179.25 181.04 2kwp h LYS 111 N 0.75 0.87 -0.92 0.00 1.57 -0.84 -1.66 116.57 116.33 2kwp h LYS 111 Ca 0.16 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.96 2kwp h LYS 111 Cb 0.39 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 2kwp h LYS 111 CO 0.01 0.57 0.58 0.37 -0.57 0.00 0.00 179.45 180.41 2kwp h GLN 112 N 0.89 1.01 -0.49 3.15 4.15 -1.11 -1.22 115.11 121.49 2kwp h GLN 112 Ca 0.25 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.48 2kwp h GLN 112 Cb -0.08 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.37 2kwp h GLN 112 CO -0.06 0.67 -0.18 0.28 -1.93 0.00 0.00 178.83 177.61 2kwp h VAL 113 N 1.04 1.27 -0.95 2.39 2.07 -1.26 -2.30 116.25 118.51 2kwp h VAL 113 Ca 0.41 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 2kwp h VAL 113 Cb 0.21 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2kwp h VAL 113 CO -0.19 0.46 0.58 0.40 0.02 0.00 0.00 177.57 178.85 2kwp h ILE 114 N 0.85 1.26 -0.36 4.57 2.04 -0.87 0.32 117.51 125.32 2kwp h ILE 114 Ca 0.12 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 2kwp h ILE 114 Cb 0.75 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2kwp h ILE 114 CO 0.06 0.27 -0.01 0.58 0.00 0.00 0.00 178.15 179.05 2kwp h VAL 115 N 1.31 1.26 -0.40 1.67 2.07 -1.06 -0.46 116.25 120.64 2kwp h VAL 115 Ca 0.34 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2kwp h VAL 115 Cb -0.07 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2kwp h VAL 115 CO -0.07 0.33 0.15 1.56 0.02 0.00 0.00 177.57 179.57 2kwp h GLN 116 N 0.45 0.60 -0.77 1.57 4.20 -0.96 0.29 115.11 120.49 2kwp h GLN 116 Ca 0.10 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2kwp h GLN 116 Cb 0.47 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2kwp h GLN 116 CO 0.02 0.58 0.33 0.87 -0.67 0.00 0.00 178.83 179.96 2kwp h LYS 117 N 0.50 1.14 -0.15 1.46 1.57 -0.83 0.56 116.57 120.81 2kwp h LYS 117 Ca 0.13 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 2kwp h LYS 117 Cb 0.21 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2kwp h LYS 117 CO -0.01 0.91 -0.15 0.28 -0.57 0.00 0.00 179.45 179.91 2kwp h VAL 118 N 1.11 1.34 -0.94 0.50 2.07 -0.76 -1.80 116.25 117.77 2kwp h VAL 118 Ca 0.26 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 2kwp h VAL 118 Cb 0.18 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2kwp h VAL 118 CO -0.03 0.39 0.57 0.03 0.02 0.00 0.00 177.57 178.56 2kwp h ARG 119 N 0.01 1.28 0.00 1.57 3.08 -0.22 -1.38 114.38 118.71 2kwp h ARG 119 Ca 0.02 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 2kwp h ARG 119 Cb 0.69 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2kwp h ARG 119 CO 0.04 0.89 -0.36 0.93 -1.07 0.00 0.00 179.97 180.39 2kwp h GLU 120 N 1.30 0.00 -0.26 0.04 5.08 -0.81 -2.60 114.58 117.32 2kwp h GLU 120 Ca 0.34 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.76 2kwp h GLU 120 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2kwp h GLU 120 CO -0.06 0.36 0.19 0.00 -1.00 0.00 0.00 179.01 178.50 2kwp h ALA 121 N 1.64 2.17 -0.94 3.43 0.00 -0.34 -1.00 119.26 124.22 2kwp h ALA 121 Ca -0.00 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.08 2kwp h ALA 121 Cb 0.71 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 2kwp h ALA 121 CO 0.05 -0.24 0.60 1.49 0.00 0.00 0.00 179.25 181.15 2kwp h GLU 122 N 0.06 0.60 -0.53 0.00 4.81 -1.46 0.28 114.58 118.34 2kwp h GLU 122 Ca 0.12 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2kwp h GLU 122 Cb 0.42 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2kwp h GLU 122 CO -0.01 0.40 0.35 0.00 -0.73 0.00 0.00 179.01 179.02 2kwp h ARG 123 N 0.62 0.67 -7.11 1.92 3.08 -1.37 -3.42 114.38 108.77 2kwp h ARG 123 Ca 0.50 -0.04 -0.54 0.00 0.07 0.00 0.00 59.98 59.97 2kwp h ARG 123 Cb 0.95 -0.15 0.13 0.00 0.08 0.00 0.00 29.97 30.98 2kwp h ARG 123 CO -0.25 0.44 0.48 0.00 -1.07 0.00 0.00 179.97 179.57 2kwp s ALA 124 N -5.60 2.44 0.35 0.04 0.00 0.98 -5.03 121.76 114.95 2kwp s ALA 124 Ca -0.09 1.07 0.09 0.00 0.00 0.00 0.00 51.96 53.03 2kwp s ALA 124 Cb 0.18 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 2kwp s ALA 124 CO 0.75 -1.39 -0.00 -1.64 0.00 0.00 0.00 175.76 173.48 2kwp s MET 125 N -3.41 2.02 0.34 0.00 -1.94 -1.26 -5.02 119.30 110.03 2kwp s MET 125 Ca 0.79 -1.81 0.03 0.00 -1.71 0.00 0.00 55.69 52.98 2kwp s MET 125 Cb -0.33 -1.87 0.62 0.00 2.01 0.00 0.00 34.83 35.26 2kwp s MET 125 CO 0.37 0.12 1.97 1.25 -0.01 0.00 0.00 175.02 178.71 2kwp h LEU 126 N 1.83 0.77 -6.92 -0.03 5.85 -1.97 -3.26 115.31 111.58 2kwp h LEU 126 Ca -0.43 -0.01 -0.61 0.00 0.84 0.00 0.00 57.88 57.67 2kwp h LEU 126 Cb 1.25 -0.18 -0.41 0.00 0.37 0.00 0.00 40.66 41.69 2kwp h LEU 126 CO 0.68 0.53 -0.63 0.52 -0.34 0.00 0.00 178.44 179.20 2kwp n VAL 127 N -4.46 1.26 0.30 1.05 0.31 -1.26 -4.90 118.33 110.63 2kwp n VAL 127 Ca 0.09 -4.68 0.17 0.00 -0.01 0.00 0.00 64.34 59.91 2kwp n VAL 127 Cb 0.13 -2.11 0.70 0.00 -0.91 0.00 0.00 33.84 31.65 2kwp n VAL 127 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2kwp h PRO 128 N 5.33 0.00 -0.01 5.55 0.13 -1.98 -3.54 132.00 137.48 2kwp h PRO 128 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2kwp h PRO 128 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2kwp h PRO 128 CO 0.67 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.31