#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 6.23 0.23 7.83 3.04 0.18 -4.93 114.94 127.51 2kwp s ASN 2 Ca 0.00 -0.19 0.05 0.00 0.04 0.00 0.00 52.86 52.76 2kwp s ASN 2 Cb 0.00 -2.22 0.22 0.00 -1.54 0.00 0.00 41.25 37.71 2kwp s ASN 2 CO 0.00 -0.41 1.54 0.11 -3.04 0.00 0.00 177.10 175.30 2kwp h LYS 3 N 8.48 0.21 -0.80 0.43 1.57 -1.88 -3.01 116.57 121.57 2kwp h LYS 3 Ca -0.29 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.38 2kwp h LYS 3 Cb 1.13 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 2kwp h LYS 3 CO 0.73 0.78 0.53 0.93 -0.57 0.00 0.00 179.45 181.85 2kwp h GLU 4 N 0.15 0.95 -0.38 3.15 5.08 -1.92 -1.23 114.58 120.38 2kwp h GLU 4 Ca -0.01 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2kwp h GLU 4 Cb 1.16 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2kwp h GLU 4 CO 0.10 0.63 0.20 0.82 -1.00 0.00 0.00 179.01 179.75 2kwp h ILE 5 N 0.98 0.99 0.00 3.13 2.04 -1.83 -0.74 117.51 122.08 2kwp h ILE 5 Ca 0.32 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 66.00 2kwp h ILE 5 Cb 0.06 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2kwp h ILE 5 CO -0.10 0.07 -0.24 -0.07 0.00 0.00 0.00 178.15 177.82 2kwp h LEU 6 N 0.40 0.00 -0.35 1.44 3.38 -1.41 -2.59 115.31 116.18 2kwp h LEU 6 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2kwp h LEU 6 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kwp h LEU 6 CO -0.10 0.24 -0.34 0.00 0.09 0.00 0.00 178.44 178.33 2kwp h ALA 7 N 1.76 0.51 -0.08 1.53 0.00 -0.03 -2.14 119.26 120.80 2kwp h ALA 7 Ca -0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2kwp h ALA 7 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2kwp h ALA 7 CO 0.03 0.58 -0.44 0.28 0.00 0.00 0.00 179.25 179.69 2kwp h VAL 8 N 0.64 1.32 -0.21 0.00 2.07 -1.01 -2.45 116.25 116.61 2kwp h VAL 8 Ca 0.06 -1.59 -0.14 0.00 0.82 0.00 0.00 66.70 65.85 2kwp h VAL 8 Cb 0.92 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2kwp h VAL 8 CO 0.08 0.47 -0.44 0.58 0.02 0.00 0.00 177.57 178.28 2kwp h VAL 9 N 0.15 1.31 -0.08 2.57 2.07 -1.30 -2.66 116.25 118.31 2kwp h VAL 9 Ca 0.01 -1.63 -0.14 0.00 0.82 0.00 0.00 66.70 65.76 2kwp h VAL 9 Cb 0.85 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2kwp h VAL 9 CO 0.07 0.51 -0.57 -0.33 0.02 0.00 0.00 177.57 177.26 2kwp h GLU 10 N 0.43 0.24 -0.02 1.57 5.08 -1.15 -2.39 114.58 118.34 2kwp h GLU 10 Ca 0.03 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 2kwp h GLU 10 Cb 0.95 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2kwp h GLU 10 CO 0.08 0.75 -0.48 0.00 -1.00 0.00 0.00 179.01 178.36 2kwp h ALA 11 N 1.22 1.16 0.06 3.43 0.00 -1.26 -1.76 119.26 122.10 2kwp h ALA 11 Ca -0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 2kwp h ALA 11 Cb 1.06 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.78 2kwp h ALA 11 CO 0.09 0.61 -1.09 0.28 0.00 0.00 0.00 179.25 179.15 2kwp h VAL 12 N 0.05 1.38 -0.39 0.00 2.07 -1.28 -0.01 116.25 118.07 2kwp h VAL 12 Ca -0.00 -2.55 -0.15 0.00 0.82 0.00 0.00 66.70 64.82 2kwp h VAL 12 Cb 0.87 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 2kwp h VAL 12 CO 0.07 0.76 -0.36 -1.28 0.02 0.00 0.00 177.57 176.78 2kwp h SER 13 N 0.23 0.98 0.28 0.57 0.87 -1.30 0.57 113.55 115.75 2kwp h SER 13 Ca -0.12 -0.46 -0.25 0.00 -1.23 0.00 0.00 61.79 59.72 2kwp h SER 13 Cb 1.75 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 63.45 2kwp h SER 13 CO 0.19 1.24 -1.05 0.78 -0.53 0.00 0.00 176.83 177.46 2kwp h ASN 14 N 0.74 0.65 -0.02 6.23 2.35 -1.37 0.93 115.58 125.09 2kwp h ASN 14 Ca 0.06 -0.55 -0.14 0.00 -0.55 0.00 0.00 56.30 55.12 2kwp h ASN 14 Cb 0.95 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 39.13 2kwp h ASN 14 CO 0.09 1.37 -0.52 -0.08 -1.65 0.00 0.00 177.43 176.63 2kwp h GLU 15 N 0.25 0.39 -0.60 0.81 4.81 -0.95 -3.23 114.58 116.06 2kwp h GLU 15 Ca -0.12 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2kwp h GLU 15 Cb 1.71 0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.20 2kwp h GLU 15 CO 0.19 1.06 0.00 1.63 -0.73 0.00 0.00 179.01 181.16 2kwp n LYS 16 N -4.27 2.49 -2.07 1.92 5.02 0.20 -4.90 118.16 116.55 2kwp n LYS 16 Ca -0.10 -2.31 -0.04 0.00 -2.02 0.00 0.00 58.31 53.84 2kwp n LYS 16 Cb 0.63 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.66 -2.44 7.82 0.00 0.32 -4.88 120.51 122.06 2kwp n ALA 17 Ca 0.21 0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.48 2kwp n ALA 17 Cb 0.55 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -4.41 3.82 0.25 0.00 1.43 -0.81 -4.96 118.68 114.01 2kwp s LEU 18 Ca 0.00 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 2kwp s LEU 18 Cb 0.00 -3.02 -0.09 0.00 0.03 0.00 0.00 46.19 43.11 2kwp s LEU 18 CO 0.00 -0.54 1.26 -2.16 0.23 0.00 0.00 176.35 175.14 2kwp s PRO 19 N -4.38 4.43 0.25 1.29 0.04 -1.26 -4.34 135.00 131.03 2kwp s PRO 19 Ca 0.46 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.50 2kwp s PRO 19 Cb -0.10 -3.16 0.37 0.00 0.04 0.00 0.00 34.50 31.65 2kwp s PRO 19 CO 0.35 -0.14 1.84 0.00 0.04 0.00 0.00 177.00 179.09 2kwp h ARG 20 N 4.45 0.93 -0.15 4.56 3.08 -1.95 -2.09 114.38 123.22 2kwp h ARG 20 Ca -0.46 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 59.58 2kwp h ARG 20 Cb 1.22 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 31.00 2kwp h ARG 20 CO 0.71 0.61 -0.21 1.49 -1.07 0.00 0.00 179.97 181.51 2kwp h GLU 21 N 0.96 -0.24 -0.62 0.04 4.81 -1.98 -1.24 114.58 116.30 2kwp h GLU 21 Ca 0.39 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.74 2kwp h GLU 21 Cb 0.23 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.59 2kwp h GLU 21 CO -0.19 -0.16 0.22 -0.22 -0.73 0.00 0.00 179.01 177.93 2kwp h LYS 22 N -0.25 0.38 -0.02 1.92 3.64 -1.78 -1.79 116.57 118.67 2kwp h LYS 22 Ca 0.11 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2kwp h LYS 22 Cb 0.41 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 2kwp h LYS 22 CO -0.29 0.25 -0.27 0.82 -2.27 0.00 0.00 179.45 177.69 2kwp h ILE 23 N 0.39 0.39 -0.90 2.00 2.04 -0.84 0.11 117.51 120.70 2kwp h ILE 23 Ca 0.32 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.37 2kwp h ILE 23 Cb 0.41 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 2kwp h ILE 23 CO -0.33 0.00 0.59 -0.26 0.00 0.00 0.00 178.15 178.15 2kwp h PHE 24 N -0.40 0.65 -0.30 1.37 0.04 -0.53 0.11 116.94 117.89 2kwp h PHE 24 Ca 0.07 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.91 2kwp h PHE 24 Cb 0.50 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 2kwp h PHE 24 CO -0.31 0.19 -0.01 1.49 -0.60 0.00 0.00 178.31 179.07 2kwp h GLU 25 N 0.51 0.08 0.00 1.51 4.81 -0.22 0.95 114.58 122.22 2kwp h GLU 25 Ca 0.47 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2kwp h GLU 25 Cb 1.03 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2kwp h GLU 25 CO -0.20 0.05 -0.00 0.00 -0.73 0.00 0.00 179.01 178.13 2kwp h ALA 26 N 1.27 -0.01 -0.47 2.92 0.00 -0.72 -2.13 119.26 120.12 2kwp h ALA 26 Ca 0.15 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.07 2kwp h ALA 26 Cb 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 2kwp h ALA 26 CO -0.25 -0.42 -0.14 -0.07 0.00 0.00 0.00 179.25 178.37 2kwp h LEU 27 N -0.17 -0.52 -0.82 0.00 3.38 -0.82 0.11 115.31 116.46 2kwp h LEU 27 Ca -0.00 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.21 2kwp h LEU 27 Cb 0.17 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 2kwp h LEU 27 CO 0.00 -0.18 0.47 -0.33 0.09 0.00 0.00 178.44 178.49 2kwp h GLU 28 N -0.03 0.78 -0.57 1.13 5.08 -0.63 0.68 114.58 121.02 2kwp h GLU 28 Ca 0.23 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 2kwp h GLU 28 Cb 0.38 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2kwp h GLU 28 CO -0.50 0.52 0.38 0.77 -1.00 0.00 0.00 179.01 179.17 2kwp h SER 29 N 0.80 0.42 0.15 1.42 0.02 -0.12 0.13 113.55 116.37 2kwp h SER 29 Ca 0.39 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.07 2kwp h SER 29 Cb 0.34 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 62.82 2kwp h SER 29 CO -0.24 0.26 -1.12 0.00 -1.14 0.00 0.00 176.83 174.59 2kwp h ALA 30 N 1.70 0.12 0.07 3.77 0.00 -0.23 -1.77 119.26 122.92 2kwp h ALA 30 Ca 0.25 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kwp h ALA 30 Cb 0.39 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kwp h ALA 30 CO -0.07 0.73 -0.03 -0.07 0.00 0.00 0.00 179.25 179.81 2kwp h LEU 31 N 0.30 -0.08 -0.82 0.00 4.07 -0.27 0.48 115.31 118.99 2kwp h LEU 31 Ca -0.14 -0.37 -0.04 0.00 0.08 0.00 0.00 57.88 57.40 2kwp h LEU 31 Cb 1.78 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 43.51 2kwp h LEU 31 CO 0.21 0.34 0.35 0.00 -1.08 0.00 0.00 178.44 178.26 2kwp h ALA 32 N 0.37 1.06 -0.22 1.53 0.00 -0.90 0.92 119.26 122.02 2kwp h ALA 32 Ca -0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2kwp h ALA 32 Cb 0.45 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kwp h ALA 32 CO 0.02 0.67 -0.36 1.15 0.00 0.00 0.00 179.25 180.73 2kwp h THR 33 N 1.19 1.32 -0.01 0.00 2.02 -1.28 -2.21 112.91 113.95 2kwp h THR 33 Ca 0.28 -1.57 -0.15 0.00 0.77 0.00 0.00 66.41 65.74 2kwp h THR 33 Cb 0.19 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2kwp h THR 33 CO -0.03 0.49 -0.69 0.00 0.37 0.00 0.00 175.52 175.66 2kwp h ALA 34 N 0.63 0.84 -0.00 6.16 0.00 0.22 -2.82 119.26 124.29 2kwp h ALA 34 Ca 0.02 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2kwp h ALA 34 Cb 0.95 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2kwp h ALA 34 CO 0.08 0.86 -0.00 1.15 0.00 0.00 0.00 179.25 181.34 2kwp h THR 35 N 0.02 1.26 0.00 0.00 2.02 0.95 -2.68 112.91 114.49 2kwp h THR 35 Ca -0.01 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 2kwp h THR 35 Cb 1.23 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 69.42 2kwp h THR 35 CO 0.09 0.20 -0.07 0.07 0.37 0.00 0.00 175.52 176.18 2kwp h LYS 36 N -0.33 0.00 -0.57 6.66 2.10 -1.42 -1.53 116.57 121.48 2kwp h LYS 36 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.69 2kwp h LYS 36 Cb 0.33 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.62 2kwp h LYS 36 CO 0.00 0.07 0.38 0.87 -2.00 0.00 0.00 179.45 178.77 2kwp h LYS 37 N 0.00 0.59 -0.73 0.07 1.57 -1.21 -0.64 116.57 116.22 2kwp h LYS 37 Ca -0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2kwp h LYS 37 Cb 0.14 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2kwp h LYS 37 CO 0.01 0.39 0.47 -0.22 -0.57 0.00 0.00 179.45 179.53 2kwp h LYS 38 N 0.61 0.90 -0.08 3.15 3.64 -1.25 -2.44 116.57 121.10 2kwp h LYS 38 Ca 0.24 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.34 2kwp h LYS 38 Cb 0.17 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2kwp h LYS 38 CO -0.07 0.59 -0.84 1.88 -2.27 0.00 0.00 179.45 178.75 2kwp h TYR 39 N 0.93 0.88 -0.27 1.91 0.05 -1.38 -3.47 116.97 115.61 2kwp h TYR 39 Ca 0.29 -0.42 -0.12 0.00 0.05 0.00 0.00 58.73 58.53 2kwp h TYR 39 Cb -0.02 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.55 2kwp h TYR 39 CO -0.03 1.23 -0.11 -1.91 -1.05 0.00 0.00 178.16 176.29 2kwp n GLU 40 N -3.87 -0.88 -0.50 4.88 2.13 -0.35 -4.84 120.64 117.20 2kwp n GLU 40 Ca -0.07 0.59 0.08 0.00 0.66 0.00 0.00 57.16 58.41 2kwp n GLU 40 Cb 0.78 -4.46 0.28 0.00 0.27 0.00 0.00 31.44 28.32 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 -1.86 3.40 -3.85 5.31 1.13 -1.26 -4.96 117.38 115.29 2kwp n GLN 41 Ca -0.06 -2.76 -0.25 0.00 -1.94 0.00 0.00 57.00 52.00 2kwp n GLN 41 Cb 0.31 -1.81 -0.00 0.00 0.11 0.00 0.00 30.24 28.84 2kwp n GLN 41 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2kwp n GLU 42 N 0.21 -3.56 -2.74 -1.09 1.02 -1.26 -4.76 120.64 108.46 2kwp n GLU 42 Ca 0.21 0.47 -0.25 0.00 -0.02 0.00 0.00 57.16 57.58 2kwp n GLU 42 Cb 0.85 -4.68 0.02 0.00 -0.02 0.00 0.00 31.44 27.61 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 4.05 -0.35 -3.67 -4.36 -1.26 -4.40 121.20 107.37 2kwp s ILE 43 Ca 0.04 -0.21 -0.18 0.00 -0.26 0.00 0.00 60.65 60.04 2kwp s ILE 43 Cb -0.02 -3.54 -0.00 0.00 1.25 0.00 0.00 42.46 40.15 2kwp s ILE 43 CO 0.86 -0.47 0.51 -0.62 0.24 0.00 0.00 174.94 175.47 2kwp s ASP 44 N -4.22 6.31 0.02 4.36 2.15 -1.23 -4.87 116.67 119.19 2kwp s ASP 44 Ca 0.50 -0.05 0.08 0.00 0.43 0.00 0.00 52.55 53.51 2kwp s ASP 44 Cb -0.10 -2.27 -0.02 0.00 -0.30 0.00 0.00 42.92 40.23 2kwp s ASP 44 CO 0.41 -0.48 -0.24 -0.69 -0.17 0.00 0.00 175.17 174.01 2kwp s VAL 45 N 2.38 1.90 -0.07 1.11 1.01 -1.26 -1.94 120.40 123.53 2kwp s VAL 45 Ca 0.18 -1.18 0.05 0.00 0.00 0.00 0.00 61.98 61.03 2kwp s VAL 45 Cb -0.15 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2kwp s VAL 45 CO 0.13 0.39 -0.21 -0.60 0.00 0.00 0.00 175.10 174.82 2kwp s ARG 46 N -0.94 2.65 -0.05 2.72 3.52 0.47 -4.78 118.95 122.54 2kwp s ARG 46 Ca 0.10 -0.82 0.06 0.00 -0.13 0.00 0.00 55.73 54.94 2kwp s ARG 46 Cb -0.09 -2.28 -0.01 0.00 -1.56 0.00 0.00 34.95 31.00 2kwp s ARG 46 CO 0.01 0.42 -0.24 0.14 -0.81 0.00 0.00 175.30 174.82 2kwp s VAL 47 N -0.24 1.95 -0.08 7.11 -7.23 -1.26 0.73 120.40 121.38 2kwp s VAL 47 Ca -0.00 -1.02 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 2kwp s VAL 47 Cb -0.13 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.16 2kwp s VAL 47 CO 0.03 0.55 -0.21 -1.10 -0.31 0.00 0.00 175.10 174.06 2kwp s GLN 48 N -0.20 2.58 -0.01 4.82 -1.52 -0.67 -4.86 119.66 119.81 2kwp s GLN 48 Ca -0.02 -0.75 -0.01 0.00 -1.95 0.00 0.00 55.36 52.64 2kwp s GLN 48 Cb -0.13 -2.01 -0.04 0.00 -0.22 0.00 0.00 33.01 30.61 2kwp s GLN 48 CO 0.03 0.17 0.09 0.42 -0.25 0.00 0.00 175.29 175.74 2kwp s ILE 49 N 0.35 4.80 -0.26 1.08 1.01 -1.26 -0.49 121.20 126.43 2kwp s ILE 49 Ca -0.15 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 2kwp s ILE 49 Cb -0.17 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.13 2kwp s ILE 49 CO 0.07 0.36 -0.02 -1.81 0.00 0.00 0.00 174.94 173.54 2kwp s ASP 50 N -1.72 4.56 0.02 3.58 1.01 0.49 -4.90 116.67 119.71 2kwp s ASP 50 Ca 0.23 -0.77 -0.25 0.00 0.71 0.00 0.00 52.55 52.47 2kwp s ASP 50 Cb -0.12 -1.74 -0.18 0.00 1.01 0.00 0.00 42.92 41.89 2kwp s ASP 50 CO 0.14 -0.13 1.40 0.03 0.21 0.00 0.00 175.17 176.82 2kwp h ARG 51 N 8.09 -0.13 0.14 8.23 3.08 -1.95 2.09 114.38 133.93 2kwp h ARG 51 Ca -0.33 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.74 2kwp h ARG 51 Cb 1.12 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 2kwp h ARG 51 CO 0.59 0.16 -0.48 0.87 -1.07 0.00 0.00 179.97 180.04 2kwp h LYS 52 N -0.43 -0.68 -0.47 0.04 6.56 -1.97 -2.31 116.57 117.30 2kwp h LYS 52 Ca -0.01 0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.55 2kwp h LYS 52 Cb 0.36 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.16 2kwp h LYS 52 CO 0.02 -0.45 0.01 0.77 -2.06 0.00 0.00 179.45 177.74 2kwp h SER 53 N -0.71 0.81 -0.16 0.86 0.02 -1.99 -3.47 113.55 108.92 2kwp h SER 53 Ca -0.01 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2kwp h SER 53 Cb 0.70 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2kwp h SER 53 CO -0.25 0.92 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 2kwp n GLY 54 N -0.39 1.12 3.21 -3.77 0.00 0.70 -4.30 105.19 101.77 2kwp n GLY 54 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 0.02 1.61 1.47 -0.81 -0.65 116.67 115.86 2kwp s ASP 55 Ca 0.00 -0.52 0.05 0.00 1.18 0.00 0.00 52.55 53.26 2kwp s ASP 55 Cb 0.00 0.34 -0.02 0.00 -0.34 0.00 0.00 42.92 42.90 2kwp s ASP 55 CO 0.00 -0.69 -0.15 0.72 0.68 0.00 0.00 175.17 175.72 2kwp s PHE 56 N -3.47 1.36 0.20 2.11 -0.12 -1.26 0.18 117.98 116.99 2kwp s PHE 56 Ca 0.02 -0.32 0.07 0.00 -0.05 0.00 0.00 56.93 56.64 2kwp s PHE 56 Cb 0.03 -0.83 -0.04 0.00 -0.63 0.00 0.00 43.02 41.55 2kwp s PHE 56 CO -0.09 0.03 0.11 -0.51 -0.05 0.00 0.00 175.22 174.71 2kwp s ASP 57 N -0.90 5.23 -0.13 1.98 1.01 0.35 -4.89 116.67 119.32 2kwp s ASP 57 Ca 0.04 -0.29 -0.03 0.00 0.71 0.00 0.00 52.55 52.98 2kwp s ASP 57 Cb -0.07 -1.26 -0.03 0.00 1.01 0.00 0.00 42.92 42.57 2kwp s ASP 57 CO 0.01 0.03 -0.03 -0.89 0.21 0.00 0.00 175.17 174.50 2kwp s THR 58 N -1.93 3.96 0.09 -1.27 2.01 -1.26 -1.67 115.64 115.57 2kwp s THR 58 Ca 0.31 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2kwp s THR 58 Cb -0.09 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 2kwp s THR 58 CO 0.22 0.52 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.19 2kwp s PHE 59 N 0.02 1.18 0.02 4.92 0.08 0.22 -1.93 117.98 122.49 2kwp s PHE 59 Ca 0.01 -0.54 0.06 0.00 0.12 0.00 0.00 56.93 56.58 2kwp s PHE 59 Cb -0.13 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.64 2kwp s PHE 59 CO 0.03 0.05 -0.17 0.50 -0.10 0.00 0.00 175.22 175.53 2kwp s ARG 60 N -2.25 2.18 0.07 0.44 3.52 0.50 0.18 118.95 123.58 2kwp s ARG 60 Ca 0.02 -0.91 -0.00 0.00 -0.13 0.00 0.00 55.73 54.71 2kwp s ARG 60 Cb -0.07 -2.24 -0.04 0.00 -1.56 0.00 0.00 34.95 31.04 2kwp s ARG 60 CO 0.02 0.56 -0.04 -0.98 -0.81 0.00 0.00 175.30 174.05 2kwp s ARG 61 N -1.30 0.69 0.04 5.12 1.70 -0.82 0.17 118.95 124.56 2kwp s ARG 61 Ca 0.14 -1.26 -0.04 0.00 -0.47 0.00 0.00 55.73 54.10 2kwp s ARG 61 Cb -0.11 0.07 -0.02 0.00 -0.57 0.00 0.00 34.95 34.33 2kwp s ARG 61 CO 0.05 -0.08 0.05 -1.58 -1.08 0.00 0.00 175.30 172.65 2kwp s TRP 62 N -3.82 0.27 -0.15 5.89 0.51 -0.31 -4.42 118.94 116.90 2kwp s TRP 62 Ca 0.09 -0.61 -0.10 0.00 -2.12 0.00 0.00 56.10 53.35 2kwp s TRP 62 Cb 0.07 -0.20 -0.05 0.00 -0.81 0.00 0.00 33.47 32.49 2kwp s TRP 62 CO -0.08 -0.34 0.20 -1.17 -0.51 0.00 0.00 176.95 175.05 2kwp s LEU 63 N -2.15 4.29 -0.01 2.99 1.98 -1.24 0.81 118.68 125.35 2kwp s LEU 63 Ca -0.05 0.42 -0.30 0.00 -2.89 0.00 0.00 54.13 51.32 2kwp s LEU 63 Cb -0.01 -2.19 -0.07 0.00 0.66 0.00 0.00 46.19 44.57 2kwp s LEU 63 CO -0.05 0.23 1.79 -0.69 -1.89 0.00 0.00 176.35 175.75 2kwp s VAL 64 N -0.11 3.32 -0.07 1.68 1.01 0.31 -0.17 120.40 126.37 2kwp s VAL 64 Ca 0.13 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.55 2kwp s VAL 64 Cb -0.12 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2kwp s VAL 64 CO 0.02 -0.03 -0.19 0.68 0.00 0.00 0.00 175.10 175.58 2kwp s VAL 65 N 4.17 1.66 0.13 2.92 -7.23 0.21 -3.20 120.40 119.06 2kwp s VAL 65 Ca 0.80 -0.80 0.25 0.00 -1.81 0.00 0.00 61.98 60.41 2kwp s VAL 65 Cb -0.38 -1.45 0.24 0.00 0.56 0.00 0.00 36.38 35.36 2kwp s VAL 65 CO 0.35 0.47 1.83 -0.78 -0.31 0.00 0.00 175.10 176.66 2kwp h ASP 66 N 6.64 0.00 -1.07 4.85 3.58 -1.93 -2.68 116.42 125.80 2kwp h ASP 66 Ca -0.26 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 56.79 2kwp h ASP 66 Cb 1.21 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.85 2kwp h ASP 66 CO 0.47 0.21 -1.13 1.21 -2.88 0.00 0.00 179.24 177.13 2kwp n GLU 67 N -3.37 1.51 -0.81 0.28 2.13 -1.26 -4.86 120.64 114.26 2kwp n GLU 67 Ca 0.00 -3.45 -0.35 0.00 0.66 0.00 0.00 57.16 54.02 2kwp n GLU 67 Cb 0.42 -1.40 -0.06 0.00 0.27 0.00 0.00 31.44 30.67 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 -0.14 0.00 0.60 6.31 3.14 -1.23 -4.77 118.33 122.25 2kwp n VAL 68 Ca 0.14 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.64 2kwp n VAL 68 Cb 0.80 -0.27 0.16 0.00 -1.06 0.00 0.00 33.84 33.47 2kwp n VAL 68 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2kwp n THR 69 N 2.88 0.31 -3.23 1.55 -2.24 -1.26 -4.74 114.28 107.54 2kwp n THR 69 Ca 0.24 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 2kwp n THR 69 Cb -0.03 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.10 2kwp n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2kwp s GLN 70 N -3.16 0.48 0.00 -0.78 2.00 -1.26 -5.01 119.66 111.93 2kwp s GLN 70 Ca 0.06 0.64 0.13 0.00 -2.00 0.00 0.00 55.36 54.19 2kwp s GLN 70 Cb 0.14 0.07 0.73 0.00 0.80 0.00 0.00 33.01 34.74 2kwp s GLN 70 CO 0.73 -0.78 1.22 -0.35 -0.50 0.00 0.00 175.29 175.60 2kwp n PRO 71 N 5.40 0.35 0.08 1.67 -0.04 -1.25 -1.27 135.00 139.93 2kwp n PRO 71 Ca -0.00 0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.41 2kwp n PRO 71 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 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 1.60 0.00 0.52 1.35 -1.89 -3.36 112.91 111.12 2kwp h THR 72 Ca 0.00 -3.03 0.00 0.00 -0.55 0.00 0.00 66.41 62.83 2kwp h THR 72 Cb 0.03 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2kwp h THR 72 CO 0.00 0.87 -0.18 0.29 -0.25 0.00 0.00 175.52 176.25 2kwp n LYS 73 N -3.51 0.58 -3.79 4.72 5.02 -1.08 -3.49 118.16 116.61 2kwp n LYS 73 Ca -0.02 -1.09 -0.13 0.00 -2.02 0.00 0.00 58.31 55.05 2kwp n LYS 73 Cb 0.89 -0.70 -0.13 0.00 -0.02 0.00 0.00 35.03 35.06 2kwp n LYS 73 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2kwp s GLU 74 N -0.52 0.13 -0.11 1.97 2.02 -0.40 -3.65 118.70 118.14 2kwp s GLU 74 Ca 0.04 0.28 0.02 0.00 0.02 0.00 0.00 54.97 55.33 2kwp s GLU 74 Cb 0.04 -0.05 -0.01 0.00 0.10 0.00 0.00 34.13 34.21 2kwp s GLU 74 CO 0.00 -0.09 -0.17 -1.50 0.02 0.00 0.00 175.26 173.52 2kwp s ILE 75 N 0.61 2.67 0.70 -1.63 2.07 0.76 -3.91 121.20 122.47 2kwp s ILE 75 Ca -0.04 -0.81 -0.16 0.00 -1.41 0.00 0.00 60.65 58.23 2kwp s ILE 75 Cb -0.06 -2.08 0.02 0.00 0.13 0.00 0.00 42.46 40.47 2kwp s ILE 75 CO -0.03 0.54 1.21 0.42 -1.91 0.00 0.00 174.94 175.18 2kwp s THR 76 N 0.25 2.37 0.09 4.00 -4.23 -1.26 0.65 115.64 117.52 2kwp s THR 76 Ca -0.12 0.19 -0.25 0.00 -1.18 0.00 0.00 61.69 60.34 2kwp s THR 76 Cb -0.16 -2.83 -0.14 0.00 1.34 0.00 0.00 72.50 70.71 2kwp s THR 76 CO 0.06 -0.09 1.71 0.25 -0.54 0.00 0.00 174.62 176.02 2kwp h LEU 77 N -0.02 -0.20 -0.50 4.79 6.46 -1.80 -0.55 115.31 123.48 2kwp h LEU 77 Ca -0.48 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.39 2kwp h LEU 77 Cb 1.30 0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 41.19 2kwp h LEU 77 CO 0.51 -0.13 -0.25 -0.08 -0.62 0.00 0.00 178.44 177.88 2kwp h GLU 78 N -0.19 -0.13 -0.82 1.25 4.57 -1.91 0.64 114.58 118.00 2kwp h GLU 78 Ca -0.00 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 2kwp h GLU 78 Cb 0.17 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 2kwp h GLU 78 CO -0.01 -0.09 0.53 0.00 -1.18 0.00 0.00 179.01 178.27 2kwp h ALA 79 N 1.15 1.60 0.00 2.92 0.00 -1.83 0.19 119.26 123.28 2kwp h ALA 79 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2kwp h ALA 79 Cb 0.49 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kwp h ALA 79 CO -0.58 0.28 -0.08 0.00 0.00 0.00 0.00 179.25 178.87 2kwp h ALA 80 N 1.55 1.76 -0.00 0.00 0.00 0.18 -1.51 119.26 121.25 2kwp h ALA 80 Ca 0.35 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.97 2kwp h ALA 80 Cb 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2kwp h ALA 80 CO -0.12 0.10 -0.86 0.00 0.00 0.00 0.00 179.25 178.37 2kwp h ARG 81 N 0.00 0.59 0.00 0.00 2.47 0.12 0.41 114.38 117.97 2kwp h ARG 81 Ca -0.00 -0.63 0.00 0.00 -1.26 0.00 0.00 59.98 58.09 2kwp h ARG 81 Cb 0.14 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2kwp h ARG 81 CO 0.01 1.24 0.00 1.88 0.56 0.00 0.00 179.97 183.66 2kwp h TYR 82 N 0.20 0.00 0.00 3.04 0.05 -0.66 2.59 116.97 122.19 2kwp h TYR 82 Ca -0.11 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.52 2kwp h TYR 82 Cb 1.53 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.25 2kwp h TYR 82 CO 0.12 0.00 -1.00 1.49 -1.05 0.00 0.00 178.16 177.72 2kwp h GLU 83 N 0.00 0.00 0.00 4.88 4.81 -1.04 -3.43 114.58 119.81 2kwp h GLU 83 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kwp h GLU 83 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2kwp h GLU 83 CO 0.00 0.65 0.00 -3.47 -0.73 0.00 0.00 179.01 175.46 2kwp n ASP 84 N -4.50 0.79 -2.40 1.04 2.03 0.11 -4.98 116.55 108.64 2kwp n ASP 84 Ca -0.24 -1.28 0.00 0.00 0.52 0.00 0.00 54.79 53.80 2kwp n ASP 84 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2kwp n ASP 84 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2kwp n GLU 85 N -0.14 -2.87 -0.58 -0.67 2.13 0.87 -4.51 120.64 114.86 2kwp n GLU 85 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kwp n GLU 85 Cb 0.26 -4.43 -0.01 0.00 0.27 0.00 0.00 31.44 27.53 2kwp n GLU 85 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kwp n SER 86 N -1.35 -0.05 -4.85 4.31 2.88 -1.26 -4.95 113.62 108.34 2kwp n SER 86 Ca 0.00 -1.39 -0.37 0.00 -1.33 0.00 0.00 58.87 55.77 2kwp n SER 86 Cb 0.47 -0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 2kwp n SER 86 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kwp s LEU 87 N 0.00 4.40 0.42 2.46 1.43 -1.26 -5.07 118.68 121.05 2kwp s LEU 87 Ca 0.01 0.59 0.07 0.00 -1.03 0.00 0.00 54.13 53.77 2kwp s LEU 87 Cb 0.02 -2.22 -0.07 0.00 0.03 0.00 0.00 46.19 43.95 2kwp s LEU 87 CO -0.01 0.36 0.07 0.20 0.23 0.00 0.00 176.35 177.20 2kwp s ASN 88 N -0.90 4.07 0.23 2.29 0.01 -1.26 -4.74 114.94 114.64 2kwp s ASN 88 Ca 0.17 -1.30 -0.31 0.00 -0.71 0.00 0.00 52.86 50.71 2kwp s ASN 88 Cb -0.13 -0.35 -0.12 0.00 0.41 0.00 0.00 41.25 41.06 2kwp s ASN 88 CO 0.06 -0.51 1.68 -0.22 -1.51 0.00 0.00 177.10 176.60 2kwp s LEU 89 N -3.79 4.36 0.00 0.60 1.98 -1.26 -1.36 118.68 119.21 2kwp s LEU 89 Ca 0.35 2.87 0.00 0.00 -2.89 0.00 0.00 54.13 54.46 2kwp s LEU 89 Cb 0.07 -3.61 0.00 0.00 0.66 0.00 0.00 46.19 43.32 2kwp s LEU 89 CO 0.18 -0.95 0.00 0.61 -1.89 0.00 0.00 176.35 174.31 2kwp n GLY 90 N 3.51 0.45 3.87 7.98 0.00 -1.19 -5.02 105.19 114.79 2kwp n GLY 90 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.34 6.56 -0.05 1.61 2.15 -0.47 -4.83 116.67 119.30 2kwp s ASP 91 Ca 0.00 1.09 -0.01 0.00 0.43 0.00 0.00 52.55 54.06 2kwp s ASP 91 Cb 0.00 -2.30 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 2kwp s ASP 91 CO 0.00 -0.32 0.00 -0.31 -0.17 0.00 0.00 175.17 174.38 2kwp s TYR 92 N -2.23 3.13 0.04 -5.34 2.02 -1.26 -0.53 117.35 113.18 2kwp s TYR 92 Ca 0.50 0.15 0.01 0.00 -0.37 0.00 0.00 57.07 57.37 2kwp s TYR 92 Cb -0.10 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2kwp s TYR 92 CO 0.28 0.46 0.09 0.54 -1.57 0.00 0.00 175.55 175.35 2kwp s VAL 93 N -0.96 4.66 0.26 0.71 0.11 0.24 -4.91 120.40 120.51 2kwp s VAL 93 Ca 0.16 -0.59 0.11 0.00 -2.93 0.00 0.00 61.98 58.72 2kwp s VAL 93 Cb -0.11 -3.19 -0.05 0.00 -1.53 0.00 0.00 36.38 31.50 2kwp s VAL 93 CO 0.05 0.23 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.31 2kwp s GLU 94 N -2.11 1.90 -0.11 1.54 2.02 -1.26 -1.17 118.70 119.52 2kwp s GLU 94 Ca 0.27 -1.61 -0.30 0.00 0.02 0.00 0.00 54.97 53.36 2kwp s GLU 94 Cb -0.12 -1.93 0.08 0.00 0.10 0.00 0.00 34.13 32.25 2kwp s GLU 94 CO 0.19 0.35 0.73 0.34 0.02 0.00 0.00 175.26 176.89 2kwp s ASP 95 N -3.48 -0.65 -0.12 -0.19 2.15 0.46 -4.89 116.67 109.96 2kwp s ASP 95 Ca 0.30 0.84 -0.15 0.00 0.43 0.00 0.00 52.55 53.97 2kwp s ASP 95 Cb -0.06 0.72 -0.05 0.00 -0.30 0.00 0.00 42.92 43.23 2kwp s ASP 95 CO 0.16 -0.50 0.37 -1.58 -0.17 0.00 0.00 175.17 173.45 2kwp s GLN 96 N -0.82 4.20 0.10 4.34 0.74 -1.26 0.19 119.66 127.14 2kwp s GLN 96 Ca -0.08 0.26 0.03 0.00 0.05 0.00 0.00 55.36 55.63 2kwp s GLN 96 Cb -0.01 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.67 2kwp s GLN 96 CO 0.07 0.31 -0.09 0.96 -0.55 0.00 0.00 175.29 175.98 2kwp s ILE 97 N 0.21 0.89 0.53 -2.34 -4.36 -0.81 -4.80 121.20 110.52 2kwp s ILE 97 Ca 0.21 -1.69 -0.20 0.00 -0.26 0.00 0.00 60.65 58.70 2kwp s ILE 97 Cb -0.14 -1.41 -0.08 0.00 1.25 0.00 0.00 42.46 42.08 2kwp s ILE 97 CO 0.08 -0.62 0.84 1.21 0.24 0.00 0.00 174.94 176.69 2kwp n GLU 98 N 0.44 0.91 -4.18 0.37 2.13 -1.26 -4.23 120.64 114.82 2kwp n GLU 98 Ca -0.15 0.34 -0.30 0.00 0.66 0.00 0.00 57.16 57.71 2kwp n GLU 98 Cb 0.58 -1.98 -0.09 0.00 0.27 0.00 0.00 31.44 30.23 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2kwp s SER 99 N -1.06 4.79 0.21 4.31 1.04 -1.26 -4.74 113.70 116.99 2kwp s SER 99 Ca 0.70 -0.25 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 2kwp s SER 99 Cb -0.47 -1.07 -0.09 0.00 0.10 0.00 0.00 66.02 64.49 2kwp s SER 99 CO 0.52 0.18 1.38 0.68 0.98 0.00 0.00 173.24 176.99 2kwp s VAL 100 N -1.26 2.97 0.14 5.02 -7.23 -1.26 -4.95 120.40 113.83 2kwp s VAL 100 Ca 0.24 0.79 -0.31 0.00 -1.81 0.00 0.00 61.98 60.89 2kwp s VAL 100 Cb -0.11 -3.50 -0.08 0.00 0.56 0.00 0.00 36.38 33.24 2kwp s VAL 100 CO 0.16 0.11 1.37 -0.89 -0.31 0.00 0.00 175.10 175.55 2kwp s THR 101 N 0.21 3.25 0.26 5.32 2.01 -1.26 -4.90 115.64 120.53 2kwp s THR 101 Ca 0.59 0.93 -0.05 0.00 0.31 0.00 0.00 61.69 63.47 2kwp s THR 101 Cb -0.39 -3.60 0.26 0.00 0.01 0.00 0.00 72.50 68.79 2kwp s THR 101 CO 0.39 0.09 1.93 0.15 -0.69 0.00 0.00 174.62 176.49 2kwp h PHE 102 N 6.40 1.22 -0.61 4.92 3.57 -1.92 -1.48 116.94 129.05 2kwp h PHE 102 Ca -0.43 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.10 2kwp h PHE 102 Cb 1.21 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 2kwp h PHE 102 CO 0.65 0.75 0.36 0.22 -2.23 0.00 0.00 178.31 178.06 2kwp h ASP 103 N 1.30 0.72 -0.91 0.41 3.58 -1.98 -1.63 116.42 117.91 2kwp h ASP 103 Ca 0.37 -0.04 0.18 0.00 0.42 0.00 0.00 57.03 57.96 2kwp h ASP 103 Cb -0.11 -0.18 -0.07 0.00 1.72 0.00 0.00 39.33 40.69 2kwp h ASP 103 CO -0.09 0.56 0.59 -0.09 -2.88 0.00 0.00 179.24 177.33 2kwp h ARG 104 N 0.83 0.54 -6.11 0.28 9.65 -1.64 -3.39 114.38 114.54 2kwp h ARG 104 Ca 0.22 -0.03 -0.68 0.00 -1.10 0.00 0.00 59.98 58.38 2kwp h ARG 104 Cb -0.02 -0.12 -0.18 0.00 -1.39 0.00 0.00 29.97 28.25 2kwp h ARG 104 CO -0.04 0.36 -0.68 0.42 2.80 0.00 0.00 179.97 182.83 2kwp s ILE 105 N -5.57 3.83 0.72 1.20 1.01 -0.61 -5.09 121.20 116.68 2kwp s ILE 105 Ca -0.09 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 2kwp s ILE 105 Cb 0.23 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 40.15 2kwp s ILE 105 CO 0.79 0.60 1.09 0.42 0.00 0.00 0.00 174.94 177.84 2kwp s THR 106 N -0.83 3.41 0.19 2.92 -4.23 -1.26 -4.88 115.64 110.96 2kwp s THR 106 Ca 0.13 0.53 0.23 0.00 -1.18 0.00 0.00 61.69 61.39 2kwp s THR 106 Cb -0.11 -3.06 0.21 0.00 1.34 0.00 0.00 72.50 70.88 2kwp s THR 106 CO 0.02 -0.52 1.84 0.71 -0.54 0.00 0.00 174.62 176.12 2kwp h THR 107 N -0.61 0.67 -0.89 3.99 1.35 -1.95 -2.94 112.91 112.53 2kwp h THR 107 Ca -0.45 -1.15 0.08 0.00 -0.55 0.00 0.00 66.41 64.34 2kwp h THR 107 Cb 1.23 1.75 -0.06 0.00 -1.73 0.00 0.00 68.15 69.34 2kwp h THR 107 CO 0.53 0.25 0.58 -0.61 -0.25 0.00 0.00 175.52 176.02 2kwp h GLN 108 N 0.00 0.93 -0.60 4.72 4.15 -2.00 -0.36 115.11 121.94 2kwp h GLN 108 Ca -0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 2kwp h GLN 108 Cb 0.73 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 2kwp h GLN 108 CO 0.03 0.61 0.28 1.15 -1.93 0.00 0.00 178.83 178.98 2kwp h THR 109 N 0.96 1.20 -0.02 2.39 2.02 -1.90 -1.60 112.91 115.96 2kwp h THR 109 Ca 0.40 -0.58 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 2kwp h THR 109 Cb 0.29 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2kwp h THR 109 CO -0.16 0.24 -0.43 0.00 0.37 0.00 0.00 175.52 175.54 2kwp h ALA 110 N 1.46 1.25 0.00 6.16 0.00 -1.20 -2.54 119.26 124.38 2kwp h ALA 110 Ca 0.21 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2kwp h ALA 110 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kwp h ALA 110 CO -0.03 0.55 -0.43 0.87 0.00 0.00 0.00 179.25 180.22 2kwp h LYS 111 N 0.04 0.00 -0.51 0.00 1.57 -0.73 -2.06 116.57 114.87 2kwp h LYS 111 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2kwp h LYS 111 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2kwp h LYS 111 CO 0.06 0.43 -0.08 1.96 -0.57 0.00 0.00 179.45 181.24 2kwp h GLN 112 N 0.00 0.94 -0.00 3.15 4.20 -1.12 -1.71 115.11 120.57 2kwp h GLN 112 Ca -0.00 -0.32 -0.18 0.00 0.06 0.00 0.00 58.65 58.21 2kwp h GLN 112 Cb 0.79 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2kwp h GLN 112 CO 0.06 0.98 -0.81 -0.39 -0.67 0.00 0.00 178.83 177.99 2kwp h VAL 113 N 0.85 1.53 -0.33 -0.54 -1.51 -1.48 -2.69 116.25 112.08 2kwp h VAL 113 Ca 0.14 -2.63 -0.13 0.00 -1.23 0.00 0.00 66.70 62.86 2kwp h VAL 113 Cb 0.62 2.43 -0.01 0.00 -2.13 0.00 0.00 31.29 32.20 2kwp h VAL 113 CO 0.04 0.76 -0.31 0.40 -1.23 0.00 0.00 177.57 177.23 2kwp h ILE 114 N 0.05 1.28 -0.24 7.19 2.04 -1.12 -0.81 117.51 125.90 2kwp h ILE 114 Ca -0.02 -1.45 -0.15 0.00 1.00 0.00 0.00 64.86 64.25 2kwp h ILE 114 Cb 1.42 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 2kwp h ILE 114 CO 0.11 0.47 -0.42 0.58 0.00 0.00 0.00 178.15 178.90 2kwp h VAL 115 N 0.61 1.31 -0.33 1.67 2.07 -1.29 -0.54 116.25 119.74 2kwp h VAL 115 Ca 0.07 -1.63 -0.05 0.00 0.82 0.00 0.00 66.70 65.91 2kwp h VAL 115 Cb 0.83 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2kwp h VAL 115 CO 0.07 0.52 0.02 1.56 0.02 0.00 0.00 177.57 179.76 2kwp h GLN 116 N 0.43 0.57 -0.28 1.57 4.20 -1.39 -1.96 115.11 118.25 2kwp h GLN 116 Ca 0.01 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.46 2kwp h GLN 116 Cb 1.02 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2kwp h GLN 116 CO 0.10 0.68 -0.21 -0.22 -0.67 0.00 0.00 178.83 178.50 2kwp h LYS 117 N 0.38 0.51 -0.60 1.46 3.64 -1.15 -2.72 116.57 118.10 2kwp h LYS 117 Ca 0.10 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 2kwp h LYS 117 Cb 0.41 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 2kwp h LYS 117 CO 0.01 0.70 0.10 0.28 -2.27 0.00 0.00 179.45 178.27 2kwp h VAL 118 N 0.46 1.25 -0.30 2.00 2.07 -0.84 -2.20 116.25 118.69 2kwp h VAL 118 Ca 0.07 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.65 2kwp h VAL 118 Cb 0.63 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2kwp h VAL 118 CO 0.04 0.36 0.20 0.03 0.02 0.00 0.00 177.57 178.22 2kwp h ARG 119 N 0.91 0.32 -0.22 1.57 3.08 -1.03 -0.59 114.38 118.41 2kwp h ARG 119 Ca 0.19 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2kwp h ARG 119 Cb 0.39 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2kwp h ARG 119 CO 0.01 0.21 0.05 0.93 -1.07 0.00 0.00 179.97 180.10 2kwp h GLU 120 N 0.33 0.31 -0.60 0.04 5.08 -1.34 -1.74 114.58 116.67 2kwp h GLU 120 Ca 0.12 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2kwp h GLU 120 Cb 0.06 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2kwp h GLU 120 CO -0.03 0.30 0.31 0.00 -1.00 0.00 0.00 179.01 178.60 2kwp h ALA 121 N 1.75 1.42 -0.53 3.43 0.00 -1.12 -1.67 119.26 122.54 2kwp h ALA 121 Ca 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kwp h ALA 121 Cb 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2kwp h ALA 121 CO -0.00 0.47 0.33 1.49 0.00 0.00 0.00 179.25 181.53 2kwp h GLU 122 N 0.84 0.71 -0.81 0.00 4.81 -1.35 -1.50 114.58 117.27 2kwp h GLU 122 Ca 0.21 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.48 2kwp h GLU 122 Cb 0.05 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 2kwp h GLU 122 CO -0.03 0.49 0.53 -0.09 -0.73 0.00 0.00 179.01 179.18 2kwp h ARG 123 N 0.72 0.77 0.00 1.92 9.65 -1.31 -3.47 114.38 122.67 2kwp h ARG 123 Ca 0.19 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 2kwp h ARG 123 Cb -0.04 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.36 2kwp h ARG 123 CO -0.04 0.51 0.00 0.00 2.80 0.00 0.00 179.97 183.24 2kwp n ALA 124 N -2.43 0.00 -2.67 2.80 0.00 -0.57 -4.67 120.51 112.96 2kwp n ALA 124 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 2kwp n ALA 124 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 2kwp n ALA 124 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2kwp s MET 125 N 0.00 2.73 -0.17 0.00 1.00 -1.26 -5.08 119.30 116.53 2kwp s MET 125 Ca 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 55.69 54.97 2kwp s MET 125 Cb 0.00 -2.64 -0.04 0.00 0.00 0.00 0.00 34.83 32.15 2kwp s MET 125 CO 0.00 0.61 0.10 -1.17 0.00 0.00 0.00 175.02 174.56 2kwp s LEU 126 N -1.61 4.04 0.26 -0.03 2.96 -1.26 -5.10 118.68 117.94 2kwp s LEU 126 Ca 0.20 0.21 0.10 0.00 -0.22 0.00 0.00 54.13 54.41 2kwp s LEU 126 Cb -0.11 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 2kwp s LEU 126 CO 0.11 0.23 -0.16 0.68 -1.32 0.00 0.00 176.35 175.89 2kwp s VAL 127 N 0.03 2.10 -0.61 1.68 -7.23 -1.26 -5.02 120.40 110.09 2kwp s VAL 127 Ca 0.08 -2.29 0.22 0.00 -1.81 0.00 0.00 61.98 58.17 2kwp s VAL 127 Cb -0.12 -2.25 0.22 0.00 0.56 0.00 0.00 36.38 34.79 2kwp s VAL 127 CO 0.00 -0.44 1.67 -0.81 -0.31 0.00 0.00 175.10 175.20 2kwp n PRO 128 N -0.54 0.15 0.00 4.82 -0.04 -1.26 -5.35 135.00 132.78 2kwp n PRO 128 Ca -0.06 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 2kwp n PRO 128 Cb 0.61 -1.78 0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2kwp n PRO 128 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00