#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 5.63 0.35 7.83 0.01 0.14 -4.92 114.94 123.98 2kwp s ASN 2 Ca 0.00 -1.18 0.16 0.00 -0.71 0.00 0.00 52.86 51.13 2kwp s ASN 2 Cb 0.00 -1.98 0.64 0.00 0.41 0.00 0.00 41.25 40.31 2kwp s ASN 2 CO 0.00 -0.42 1.73 0.11 -1.51 0.00 0.00 177.10 177.01 2kwp h LYS 3 N 8.39 0.00 -0.60 -0.60 1.57 -1.84 -2.92 116.57 120.56 2kwp h LYS 3 Ca -0.24 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 2kwp h LYS 3 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 2kwp h LYS 3 CO 0.68 0.43 0.18 0.93 -0.57 0.00 0.00 179.45 181.10 2kwp h GLU 4 N 0.00 0.91 -0.30 3.15 5.08 -1.96 -2.10 114.58 119.36 2kwp h GLU 4 Ca -0.00 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 2kwp h GLU 4 Cb 0.88 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2kwp h GLU 4 CO 0.06 0.79 -0.19 0.82 -1.00 0.00 0.00 179.01 179.48 2kwp h ILE 5 N 0.88 1.26 -0.08 3.13 2.04 -1.88 -2.35 117.51 120.51 2kwp h ILE 5 Ca 0.20 -1.20 -0.11 0.00 1.00 0.00 0.00 64.86 64.76 2kwp h ILE 5 Cb 0.27 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2kwp h ILE 5 CO -0.01 0.39 -0.43 -0.07 0.00 0.00 0.00 178.15 178.03 2kwp h LEU 6 N 0.50 0.19 -0.57 1.44 3.38 -1.40 -2.48 115.31 116.37 2kwp h LEU 6 Ca 0.08 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2kwp h LEU 6 Cb 0.62 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2kwp h LEU 6 CO 0.04 0.61 -0.58 0.00 0.09 0.00 0.00 178.44 178.60 2kwp h ALA 7 N 1.40 0.76 -0.11 1.53 0.00 -0.97 -2.77 119.26 119.11 2kwp h ALA 7 Ca 0.01 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 2kwp h ALA 7 Cb 0.83 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2kwp h ALA 7 CO 0.06 0.71 -0.53 0.28 0.00 0.00 0.00 179.25 179.77 2kwp h VAL 8 N 0.31 1.35 -0.10 0.00 2.07 -1.19 -2.79 116.25 115.90 2kwp h VAL 8 Ca -0.00 -1.79 -0.12 0.00 0.82 0.00 0.00 66.70 65.61 2kwp h VAL 8 Cb 1.11 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2kwp h VAL 8 CO 0.10 0.54 -0.47 0.58 0.02 0.00 0.00 177.57 178.34 2kwp h VAL 9 N 0.24 1.33 -0.09 2.57 2.07 -1.32 -2.87 116.25 118.18 2kwp h VAL 9 Ca 0.01 -1.67 -0.14 0.00 0.82 0.00 0.00 66.70 65.72 2kwp h VAL 9 Cb 1.01 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2kwp h VAL 9 CO 0.09 0.50 -0.57 -0.33 0.02 0.00 0.00 177.57 177.27 2kwp h GLU 10 N 0.19 0.27 -0.02 1.57 5.08 -1.31 -2.17 114.58 118.20 2kwp h GLU 10 Ca 0.01 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 2kwp h GLU 10 Cb 0.91 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2kwp h GLU 10 CO 0.07 0.77 -0.41 0.00 -1.00 0.00 0.00 179.01 178.44 2kwp h ALA 11 N 1.19 1.28 0.05 3.43 0.00 -1.29 -0.91 119.26 123.03 2kwp h ALA 11 Ca -0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 54.91 54.28 2kwp h ALA 11 Cb 1.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2kwp h ALA 11 CO 0.09 0.53 -1.19 0.28 0.00 0.00 0.00 179.25 178.97 2kwp h VAL 12 N 0.03 1.53 -0.01 0.00 2.07 -1.34 -2.90 116.25 115.63 2kwp h VAL 12 Ca 0.00 -3.19 -0.22 0.00 0.82 0.00 0.00 66.70 64.11 2kwp h VAL 12 Cb 0.75 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 2kwp h VAL 12 CO 0.06 0.90 -0.91 -1.28 0.02 0.00 0.00 177.57 176.35 2kwp h SER 13 N 0.03 0.50 -0.04 0.57 0.87 -1.18 -2.56 113.55 111.74 2kwp h SER 13 Ca -0.09 -0.39 -0.16 0.00 -1.23 0.00 0.00 61.79 59.91 2kwp h SER 13 Cb 1.88 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.68 2kwp h SER 13 CO 0.15 1.19 -0.53 0.78 -0.53 0.00 0.00 176.83 177.89 2kwp h ASN 14 N 0.22 0.68 -0.16 6.23 2.35 -1.25 2.12 115.58 125.78 2kwp h ASN 14 Ca -0.07 -0.36 -0.08 0.00 -0.55 0.00 0.00 56.30 55.24 2kwp h ASN 14 Cb 1.54 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.71 2kwp h ASN 14 CO 0.16 1.08 -0.22 -0.33 -1.65 0.00 0.00 177.43 176.47 2kwp h GLU 15 N 0.48 0.42 -0.50 0.81 5.08 -1.53 -3.25 114.58 116.09 2kwp h GLU 15 Ca 0.01 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2kwp h GLU 15 Cb 1.08 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2kwp h GLU 15 CO 0.10 0.83 0.00 1.63 -1.00 0.00 0.00 179.01 180.57 2kwp n LYS 16 N -4.46 2.93 -2.03 2.33 5.02 -0.97 -4.93 118.16 116.05 2kwp n LYS 16 Ca -0.06 -2.40 -0.05 0.00 -2.02 0.00 0.00 58.31 53.79 2kwp n LYS 16 Cb 0.42 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 2kwp n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kwp n ALA 17 N 0.90 -0.63 -1.92 7.82 0.00 0.71 -4.87 120.51 122.51 2kwp n ALA 17 Ca 0.18 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 2kwp n ALA 17 Cb 0.57 -0.80 0.03 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 -4.36 3.10 0.09 0.00 1.43 -0.99 -4.97 118.68 112.97 2kwp s LEU 18 Ca 0.00 1.18 -0.31 0.00 -1.03 0.00 0.00 54.13 53.97 2kwp s LEU 18 Cb 0.00 -4.08 -0.08 0.00 0.03 0.00 0.00 46.19 42.06 2kwp s LEU 18 CO 0.00 -1.09 1.43 -2.16 0.23 0.00 0.00 176.35 174.75 2kwp s PRO 19 N -5.22 4.30 0.21 1.29 0.04 -1.26 -4.61 135.00 129.74 2kwp s PRO 19 Ca 0.56 2.09 -0.10 0.00 0.04 0.00 0.00 61.00 63.59 2kwp s PRO 19 Cb -0.11 -3.33 0.29 0.00 0.04 0.00 0.00 34.50 31.39 2kwp s PRO 19 CO 0.51 -0.50 1.70 0.00 0.04 0.00 0.00 177.00 178.76 2kwp h ARG 20 N 7.12 0.23 -0.15 4.56 3.08 -1.94 -2.01 114.38 125.28 2kwp h ARG 20 Ca -0.41 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.65 2kwp h ARG 20 Cb 1.20 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.14 2kwp h ARG 20 CO 0.88 0.15 -0.53 0.93 -1.07 0.00 0.00 179.97 180.33 2kwp h GLU 21 N 0.24 -0.54 -0.55 0.04 5.08 -1.99 -0.86 114.58 116.00 2kwp h GLU 21 Ca 0.32 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.82 2kwp h GLU 21 Cb 0.48 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.74 2kwp h GLU 21 CO -0.42 -0.36 -0.29 -0.22 -1.00 0.00 0.00 179.01 176.73 2kwp h LYS 22 N -0.56 -0.14 -0.57 2.33 3.64 -1.78 0.79 116.57 120.28 2kwp h LYS 22 Ca 0.03 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.53 2kwp h LYS 22 Cb 0.66 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.40 2kwp h LYS 22 CO -0.44 -0.09 -0.21 0.82 -2.27 0.00 0.00 179.45 177.26 2kwp h ILE 23 N -0.15 0.33 -0.87 2.00 2.04 -0.73 0.62 117.51 120.75 2kwp h ILE 23 Ca 0.23 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.28 2kwp h ILE 23 Cb 0.53 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 2kwp h ILE 23 CO -0.63 0.00 0.58 -0.26 0.00 0.00 0.00 178.15 177.83 2kwp h PHE 24 N -0.07 0.57 -0.23 1.37 0.04 0.44 0.87 116.94 119.93 2kwp h PHE 24 Ca 0.26 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.05 2kwp h PHE 24 Cb 0.48 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 2kwp h PHE 24 CO -0.52 0.17 0.15 0.93 -0.60 0.00 0.00 178.31 178.44 2kwp h GLU 25 N 0.45 0.30 0.00 1.51 5.08 0.93 0.25 114.58 123.10 2kwp h GLU 25 Ca 0.45 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.70 2kwp h GLU 25 Cb 1.05 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2kwp h GLU 25 CO -0.17 0.21 -0.43 0.00 -1.00 0.00 0.00 179.01 177.61 2kwp h ALA 26 N 1.08 1.23 -0.15 3.43 0.00 -0.62 -2.23 119.26 121.99 2kwp h ALA 26 Ca 0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2kwp h ALA 26 Cb -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2kwp h ALA 26 CO -0.02 0.54 -0.07 1.25 0.00 0.00 0.00 179.25 180.95 2kwp h LEU 27 N 0.00 0.33 -1.03 0.00 5.85 0.05 -1.12 115.31 119.38 2kwp h LEU 27 Ca -0.00 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 2kwp h LEU 27 Cb 0.79 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2kwp h LEU 27 CO 0.06 0.66 0.43 -0.33 -0.34 0.00 0.00 178.44 178.91 2kwp h GLU 28 N -0.01 1.10 -0.45 1.25 5.08 -0.38 0.15 114.58 121.33 2kwp h GLU 28 Ca 0.04 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2kwp h GLU 28 Cb 0.53 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2kwp h GLU 28 CO 0.02 0.81 0.11 0.77 -1.00 0.00 0.00 179.01 179.72 2kwp h SER 29 N 1.11 0.69 -0.36 1.42 0.02 -1.25 -0.69 113.55 114.50 2kwp h SER 29 Ca 0.28 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2kwp h SER 29 Cb 0.04 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2kwp h SER 29 CO -0.04 0.75 -0.06 0.00 -1.14 0.00 0.00 176.83 176.33 2kwp h ALA 30 N 0.97 0.49 -0.62 3.77 0.00 -0.64 1.34 119.26 124.56 2kwp h ALA 30 Ca 0.14 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2kwp h ALA 30 Cb 0.33 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2kwp h ALA 30 CO 0.00 0.32 0.40 -0.07 0.00 0.00 0.00 179.25 179.90 2kwp h LEU 31 N 0.47 0.67 0.01 0.00 -0.00 -0.55 0.74 115.31 116.65 2kwp h LEU 31 Ca 0.09 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2kwp h LEU 31 Cb 0.56 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2kwp h LEU 31 CO 0.03 0.47 -0.00 0.00 -0.00 0.00 0.00 178.44 178.94 2kwp h ALA 32 N 1.25 -0.01 -1.01 1.53 0.00 -0.96 0.07 119.26 120.13 2kwp h ALA 32 Ca 0.24 -0.39 0.17 0.00 0.00 0.00 0.00 54.91 54.92 2kwp h ALA 32 Cb -0.03 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.67 2kwp h ALA 32 CO -0.08 -0.09 0.62 1.15 0.00 0.00 0.00 179.25 180.85 2kwp h THR 33 N -0.85 0.78 -0.01 0.00 2.02 0.19 0.29 112.91 115.34 2kwp h THR 33 Ca -0.00 -0.29 -0.18 0.00 0.77 0.00 0.00 66.41 66.71 2kwp h THR 33 Cb 0.79 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2kwp h THR 33 CO 0.00 0.16 -0.79 0.00 0.37 0.00 0.00 175.52 175.25 2kwp h ALA 34 N 1.61 0.65 -0.09 6.16 0.00 0.49 -3.23 119.26 124.86 2kwp h ALA 34 Ca 0.55 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kwp h ALA 34 Cb 0.75 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2kwp h ALA 34 CO -0.34 0.91 0.05 1.15 0.00 0.00 0.00 179.25 181.02 2kwp h THR 35 N 0.07 1.09 -0.37 0.00 2.02 0.16 -0.85 112.91 115.02 2kwp h THR 35 Ca -0.02 -0.25 0.11 0.00 0.77 0.00 0.00 66.41 67.02 2kwp h THR 35 Cb 1.39 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2kwp h THR 35 CO 0.11 0.08 0.59 0.11 0.37 0.00 0.00 175.52 176.78 2kwp h LYS 36 N 0.05 0.00 -0.42 6.66 1.57 -1.16 0.47 116.57 123.74 2kwp h LYS 36 Ca 0.03 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2kwp h LYS 36 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2kwp h LYS 36 CO -0.00 0.00 0.28 0.87 -0.57 0.00 0.00 179.45 180.03 2kwp h LYS 37 N 0.00 0.30 0.00 3.15 1.79 -1.23 2.43 116.57 123.01 2kwp h LYS 37 Ca 0.18 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2kwp h LYS 37 Cb 1.36 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2kwp h LYS 37 CO -0.00 0.20 0.00 0.87 -1.08 0.00 0.00 179.45 179.44 2kwp h LYS 38 N 0.31 0.00 0.00 3.15 1.57 -0.18 -2.20 116.57 119.22 2kwp h LYS 38 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2kwp h LYS 38 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2kwp h LYS 38 CO -0.04 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.50 2kwp n TYR 39 N -2.50 0.00 0.00 -1.35 4.02 0.12 -5.04 117.16 112.41 2kwp n TYR 39 Ca -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 2kwp n TYR 39 Cb 0.08 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 2kwp n TYR 39 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2kwp n GLU 40 N -0.08 0.00 0.00 -0.72 1.02 0.78 -0.08 120.64 121.56 2kwp n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kwp n GLU 40 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 2kwp n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kwp n GLN 41 N 0.00 0.06 0.15 3.49 10.64 -1.26 -4.41 117.38 126.05 2kwp n GLN 41 Ca 0.00 -0.31 0.17 0.00 -1.83 0.00 0.00 57.00 55.03 2kwp n GLN 41 Cb 0.00 -0.52 0.77 0.00 -0.86 0.00 0.00 30.24 29.63 2kwp n GLN 41 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 2kwp h GLU 42 N 0.00 0.00 -3.13 2.61 5.08 -0.79 -3.44 114.58 114.91 2kwp h GLU 42 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2kwp h GLU 42 Cb 0.75 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.88 2kwp h GLU 42 CO 0.00 0.00 0.12 0.96 -1.00 0.00 0.00 179.01 179.09 2kwp s ILE 43 N -4.76 0.02 -0.14 3.13 -5.25 -1.26 -3.90 121.20 109.04 2kwp s ILE 43 Ca -0.05 -0.29 -0.05 0.00 -0.99 0.00 0.00 60.65 59.27 2kwp s ILE 43 Cb 0.16 -1.17 -0.04 0.00 2.95 0.00 0.00 42.46 44.37 2kwp s ILE 43 CO 0.60 -0.09 0.05 -0.62 -1.79 0.00 0.00 174.94 173.09 2kwp s ASP 44 N -2.79 5.55 -0.05 4.36 -1.08 -1.12 -4.74 116.67 116.80 2kwp s ASP 44 Ca 0.03 0.14 0.06 0.00 -0.52 0.00 0.00 52.55 52.26 2kwp s ASP 44 Cb -0.01 -1.82 -0.02 0.00 -1.46 0.00 0.00 42.92 39.61 2kwp s ASP 44 CO -0.10 0.27 -0.23 -0.69 0.52 0.00 0.00 175.17 174.94 2kwp s VAL 45 N -0.20 2.30 -0.25 1.11 1.01 -1.26 -2.01 120.40 121.10 2kwp s VAL 45 Ca 0.07 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 2kwp s VAL 45 Cb -0.12 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.46 2kwp s VAL 45 CO 0.02 0.58 -0.08 -0.60 0.00 0.00 0.00 175.10 175.01 2kwp s ARG 46 N -0.41 2.65 -0.08 2.72 3.52 0.60 -4.47 118.95 123.48 2kwp s ARG 46 Ca 0.04 -1.09 -0.12 0.00 -0.13 0.00 0.00 55.73 54.42 2kwp s ARG 46 Cb -0.12 -2.93 -0.05 0.00 -1.56 0.00 0.00 34.95 30.29 2kwp s ARG 46 CO 0.01 -0.45 0.30 0.08 -0.81 0.00 0.00 175.30 174.44 2kwp s VAL 47 N 1.25 5.24 -0.20 7.11 1.01 -1.26 -1.46 120.40 132.09 2kwp s VAL 47 Ca -0.02 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.56 2kwp s VAL 47 Cb -0.17 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.64 2kwp s VAL 47 CO -0.05 0.53 -0.15 -1.58 0.00 0.00 0.00 175.10 173.85 2kwp s GLN 48 N -0.60 2.51 0.17 2.72 0.74 -0.82 -4.71 119.66 119.67 2kwp s GLN 48 Ca 0.19 -0.93 0.03 0.00 0.05 0.00 0.00 55.36 54.71 2kwp s GLN 48 Cb -0.14 -2.56 -0.03 0.00 1.10 0.00 0.00 33.01 31.37 2kwp s GLN 48 CO 0.08 -0.35 0.27 0.42 -0.55 0.00 0.00 175.29 175.16 2kwp s ILE 49 N 1.29 5.16 -0.23 -2.34 1.01 -1.26 -2.89 121.20 121.93 2kwp s ILE 49 Ca 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 2kwp s ILE 49 Cb -0.15 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 2kwp s ILE 49 CO -0.10 -0.14 -0.03 -1.81 0.00 0.00 0.00 174.94 172.86 2kwp s ASP 50 N -3.36 4.41 0.20 3.58 1.01 0.16 -4.87 116.67 117.79 2kwp s ASP 50 Ca 0.34 -0.48 0.03 0.00 0.71 0.00 0.00 52.55 53.15 2kwp s ASP 50 Cb -0.10 -1.75 0.12 0.00 1.01 0.00 0.00 42.92 42.19 2kwp s ASP 50 CO 0.28 -0.05 1.46 0.03 0.21 0.00 0.00 175.17 177.10 2kwp h ARG 51 N 8.12 0.22 -0.86 8.23 3.08 -1.94 2.36 114.38 133.59 2kwp h ARG 51 Ca -0.39 -0.19 0.22 0.00 0.07 0.00 0.00 59.98 59.68 2kwp h ARG 51 Cb 1.15 0.04 -0.14 0.00 0.08 0.00 0.00 29.97 31.11 2kwp h ARG 51 CO 0.60 0.87 0.19 0.87 -1.07 0.00 0.00 179.97 181.42 2kwp h LYS 52 N 0.14 0.18 0.00 0.04 1.79 -2.00 -3.26 116.57 113.46 2kwp h LYS 52 Ca -0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2kwp h LYS 52 Cb 1.31 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2kwp h LYS 52 CO 0.11 0.12 -0.59 0.43 -1.08 0.00 0.00 179.45 178.44 2kwp n SER 53 N -5.25 2.97 -0.06 0.86 7.64 -1.21 -5.04 113.62 113.53 2kwp n SER 53 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2kwp n SER 53 Cb 0.64 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 2kwp n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kwp n GLY 54 N 1.62 0.82 3.67 0.23 0.00 0.79 -4.15 105.19 108.17 2kwp n GLY 54 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2kwp n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kwp s ASP 55 N -1.76 7.02 -0.28 1.61 2.15 -0.76 0.27 116.67 124.92 2kwp s ASP 55 Ca 0.00 1.26 -0.10 0.00 0.43 0.00 0.00 52.55 54.14 2kwp s ASP 55 Cb 0.00 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 40.09 2kwp s ASP 55 CO 0.00 -0.50 0.17 0.12 -0.17 0.00 0.00 175.17 174.79 2kwp s PHE 56 N 2.53 3.20 0.08 -5.34 5.36 -1.26 -0.67 117.98 121.88 2kwp s PHE 56 Ca 0.41 -0.03 0.06 0.00 -0.96 0.00 0.00 56.93 56.41 2kwp s PHE 56 Cb -0.16 -2.36 -0.03 0.00 -0.34 0.00 0.00 43.02 40.13 2kwp s PHE 56 CO 0.11 -0.22 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.98 2kwp s ASP 57 N 1.73 1.85 -0.09 6.13 1.01 -1.14 -4.90 116.67 121.26 2kwp s ASP 57 Ca 0.07 -0.64 0.03 0.00 0.71 0.00 0.00 52.55 52.71 2kwp s ASP 57 Cb -0.16 -0.07 0.01 0.00 1.01 0.00 0.00 42.92 43.71 2kwp s ASP 57 CO 0.09 -0.06 -0.17 -0.89 0.21 0.00 0.00 175.17 174.36 2kwp s THR 58 N -1.31 1.53 0.09 -1.27 2.01 -1.26 -1.95 115.64 113.47 2kwp s THR 58 Ca 0.00 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.34 2kwp s THR 58 Cb -0.10 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2kwp s THR 58 CO 0.03 0.44 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.94 2kwp s PHE 59 N 0.65 1.01 0.16 4.92 0.40 -0.53 -1.92 117.98 122.67 2kwp s PHE 59 Ca -0.14 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 55.57 2kwp s PHE 59 Cb -0.16 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 2kwp s PHE 59 CO 0.04 -0.01 0.33 -0.98 0.70 0.00 0.00 175.22 175.29 2kwp s ARG 60 N -2.59 3.48 0.08 0.44 1.70 0.62 0.22 118.95 122.90 2kwp s ARG 60 Ca 0.03 -0.45 0.05 0.00 -0.47 0.00 0.00 55.73 54.89 2kwp s ARG 60 Cb -0.04 -2.91 -0.03 0.00 -0.57 0.00 0.00 34.95 31.40 2kwp s ARG 60 CO -0.00 0.47 -0.13 -0.98 -1.08 0.00 0.00 175.30 173.59 2kwp s ARG 61 N -3.17 0.82 0.04 3.89 1.70 -0.85 -1.84 118.95 119.54 2kwp s ARG 61 Ca 0.37 -1.01 -0.08 0.00 -0.47 0.00 0.00 55.73 54.54 2kwp s ARG 61 Cb -0.11 -0.72 -0.00 0.00 -0.57 0.00 0.00 34.95 33.54 2kwp s ARG 61 CO 0.28 0.15 0.16 -1.58 -1.08 0.00 0.00 175.30 173.24 2kwp s TRP 62 N -1.60 0.11 -0.12 5.89 0.51 0.09 -4.48 118.94 119.33 2kwp s TRP 62 Ca -0.00 -0.37 -0.01 0.00 -2.12 0.00 0.00 56.10 53.60 2kwp s TRP 62 Cb -0.08 -0.07 -0.02 0.00 -0.81 0.00 0.00 33.47 32.49 2kwp s TRP 62 CO 0.02 -0.42 -0.09 -1.17 -0.51 0.00 0.00 176.95 174.78 2kwp s LEU 63 N -2.17 2.98 0.11 2.99 1.98 -1.20 0.29 118.68 123.67 2kwp s LEU 63 Ca -0.04 -0.20 -0.31 0.00 -2.89 0.00 0.00 54.13 50.69 2kwp s LEU 63 Cb -0.01 -1.68 -0.09 0.00 0.66 0.00 0.00 46.19 45.07 2kwp s LEU 63 CO -0.05 0.21 1.65 -0.69 -1.89 0.00 0.00 176.35 175.59 2kwp s VAL 64 N 0.10 2.79 0.03 1.68 1.01 0.23 0.12 120.40 126.36 2kwp s VAL 64 Ca -0.03 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2kwp s VAL 64 Cb -0.14 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2kwp s VAL 64 CO 0.04 0.01 -0.13 -0.69 0.00 0.00 0.00 175.10 174.33 2kwp s VAL 65 N 2.12 0.99 -0.55 2.92 1.01 0.69 -3.45 120.40 124.14 2kwp s VAL 65 Ca 0.74 -0.90 0.26 0.00 0.00 0.00 0.00 61.98 62.08 2kwp s VAL 65 Cb -0.42 -0.90 0.30 0.00 0.00 0.00 0.00 36.38 35.36 2kwp s VAL 65 CO 0.32 0.01 1.75 -0.78 0.00 0.00 0.00 175.10 176.40 2kwp h ASP 66 N 5.07 0.00 -0.62 3.32 3.58 -1.92 1.58 116.42 127.43 2kwp h ASP 66 Ca -0.36 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 56.77 2kwp h ASP 66 Cb 1.18 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 42.00 2kwp h ASP 66 CO 0.45 0.00 -0.69 1.21 -2.88 0.00 0.00 179.24 177.33 2kwp n GLU 67 N -2.49 1.03 -1.13 0.28 2.13 -1.26 -4.76 120.64 114.45 2kwp n GLU 67 Ca 0.04 -2.40 -0.48 0.00 0.66 0.00 0.00 57.16 54.99 2kwp n GLU 67 Cb 0.39 -1.13 -0.08 0.00 0.27 0.00 0.00 31.44 30.89 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 0.21 0.00 0.44 6.31 3.14 -1.26 -4.76 118.33 122.41 2kwp n VAL 68 Ca 0.11 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.61 2kwp n VAL 68 Cb 0.71 -0.37 0.24 0.00 -1.06 0.00 0.00 33.84 33.36 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 4.36 0.00 -1.46 1.55 1.35 -1.97 -3.43 112.91 113.32 2kwp h THR 69 Ca -0.21 -0.69 -0.06 0.00 -0.55 0.00 0.00 66.41 64.89 2kwp h THR 69 Cb 1.03 1.53 -0.26 0.00 -1.73 0.00 0.00 68.15 68.73 2kwp h THR 69 CO 0.76 0.00 -0.42 -1.58 -0.25 0.00 0.00 175.52 174.03 2kwp s GLN 70 N -3.18 0.46 0.00 4.72 0.74 -1.26 -5.01 119.66 116.13 2kwp s GLN 70 Ca 0.07 0.58 0.11 0.00 0.05 0.00 0.00 55.36 56.17 2kwp s GLN 70 Cb 0.10 -0.03 0.66 0.00 1.10 0.00 0.00 33.01 34.84 2kwp s GLN 70 CO 0.67 -0.79 1.16 -0.35 -0.55 0.00 0.00 175.29 175.43 2kwp n PRO 71 N 5.39 0.31 0.06 1.67 -0.04 -1.25 -1.93 135.00 139.20 2kwp n PRO 71 Ca -0.01 0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 2kwp n PRO 71 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.05 -0.02 0.52 1.35 -1.87 -3.35 112.91 110.59 2kwp h THR 72 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2kwp h THR 72 Cb 0.03 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2kwp h THR 72 CO 0.00 0.21 0.00 0.29 -0.25 0.00 0.00 175.52 175.77 2kwp n LYS 73 N -4.96 2.09 -3.99 4.72 5.02 -1.20 -2.81 118.16 117.02 2kwp n LYS 73 Ca -0.09 -2.13 -0.12 0.00 -2.02 0.00 0.00 58.31 53.95 2kwp n LYS 73 Cb 0.25 -1.30 -0.13 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.05 0.26 -0.08 1.97 2.02 -0.81 -3.23 118.70 116.77 2kwp s GLU 74 Ca 0.19 -0.31 0.04 0.00 0.02 0.00 0.00 54.97 54.91 2kwp s GLU 74 Cb 0.16 -0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.28 2kwp s GLU 74 CO 0.02 0.02 -0.20 -1.50 0.02 0.00 0.00 175.26 173.62 2kwp s ILE 75 N -0.61 1.74 0.88 -1.63 2.07 0.31 -3.95 121.20 120.03 2kwp s ILE 75 Ca -0.05 -0.85 -0.10 0.00 -1.41 0.00 0.00 60.65 58.23 2kwp s ILE 75 Cb -0.05 -1.51 0.13 0.00 0.13 0.00 0.00 42.46 41.16 2kwp s ILE 75 CO -0.00 0.49 1.13 0.42 -1.91 0.00 0.00 174.94 175.07 2kwp s THR 76 N 0.28 2.38 0.12 4.00 -4.23 -1.26 0.25 115.64 117.18 2kwp s THR 76 Ca -0.13 0.12 -0.19 0.00 -1.18 0.00 0.00 61.69 60.31 2kwp s THR 76 Cb -0.16 -2.26 -0.06 0.00 1.34 0.00 0.00 72.50 71.36 2kwp s THR 76 CO 0.06 -0.16 1.72 0.25 -0.54 0.00 0.00 174.62 175.95 2kwp h LEU 77 N -1.70 0.31 0.02 4.79 7.12 0.20 -0.28 115.31 125.78 2kwp h LEU 77 Ca -0.43 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.50 2kwp h LEU 77 Cb 1.26 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.31 2kwp h LEU 77 CO 0.44 0.30 -0.03 -0.08 -0.13 0.00 0.00 178.44 178.94 2kwp h GLU 78 N 0.30 -0.07 -0.71 1.25 4.81 -1.91 -1.80 114.58 116.45 2kwp h GLU 78 Ca 0.09 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2kwp h GLU 78 Cb 0.06 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 2kwp h GLU 78 CO -0.01 -0.04 0.47 0.00 -0.73 0.00 0.00 179.01 178.69 2kwp h ALA 79 N 0.91 1.73 -0.81 2.92 0.00 -1.87 -0.70 119.26 121.43 2kwp h ALA 79 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2kwp h ALA 79 Cb 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2kwp h ALA 79 CO -0.02 0.16 0.40 0.00 0.00 0.00 0.00 179.25 179.79 2kwp h ALA 80 N 1.62 1.05 -0.50 0.00 0.00 -0.24 -1.98 119.26 119.20 2kwp h ALA 80 Ca 0.31 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2kwp h ALA 80 Cb 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kwp h ALA 80 CO -0.10 0.60 0.11 0.00 0.00 0.00 0.00 179.25 179.86 2kwp h ARG 81 N 1.15 0.81 -0.67 0.00 -0.00 -0.43 0.68 114.38 115.93 2kwp h ARG 81 Ca 0.28 -0.20 0.04 0.00 -0.50 0.00 0.00 59.98 59.60 2kwp h ARG 81 Cb 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 29.97 29.92 2kwp h ARG 81 CO -0.04 0.79 0.40 1.88 0.00 0.00 0.00 179.97 183.01 2kwp h TYR 82 N 0.70 0.75 0.04 3.04 0.05 -0.95 -1.77 116.97 118.82 2kwp h TYR 82 Ca 0.16 0.02 -0.23 0.00 0.05 0.00 0.00 58.73 58.73 2kwp h TYR 82 Cb 0.36 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 2kwp h TYR 82 CO 0.02 0.40 -1.03 0.93 -1.05 0.00 0.00 178.16 177.44 2kwp h GLU 83 N 0.77 0.28 -0.88 4.88 4.39 -1.09 -3.44 114.58 119.49 2kwp h GLU 83 Ca 0.28 -0.36 0.09 0.00 0.34 0.00 0.00 59.36 59.71 2kwp h GLU 83 Cb 0.08 0.12 -0.21 0.00 -0.10 0.00 0.00 28.75 28.64 2kwp h GLU 83 CO -0.13 1.09 -0.26 -0.51 -1.16 0.00 0.00 179.01 178.04 2kwp s ASP 84 N -7.04 -1.33 0.55 1.42 1.01 0.24 -4.99 116.67 106.52 2kwp s ASP 84 Ca -0.04 0.46 0.31 0.00 0.71 0.00 0.00 52.55 53.99 2kwp s ASP 84 Cb 0.09 1.97 1.68 0.00 1.01 0.00 0.00 42.92 47.66 2kwp s ASP 84 CO 0.86 -0.25 1.93 -0.33 0.21 0.00 0.00 175.17 177.59 2kwp h GLU 85 N 7.94 0.00 0.00 8.23 5.08 -1.50 0.33 114.58 134.66 2kwp h GLU 85 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 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 0.15 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.59 2kwp n SER 86 N -2.70 0.00 -4.85 1.42 7.64 -1.26 -4.80 113.62 109.07 2kwp n SER 86 Ca -0.02 -1.30 -0.34 0.00 1.01 0.00 0.00 58.87 58.22 2kwp n SER 86 Cb 0.20 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.34 2kwp n SER 86 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kwp s LEU 87 N -1.63 4.25 0.26 -3.43 1.43 0.12 -5.08 118.68 114.60 2kwp s LEU 87 Ca 0.28 1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 54.48 2kwp s LEU 87 Cb 0.13 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 2kwp s LEU 87 CO 0.22 0.00 0.26 0.20 0.23 0.00 0.00 176.35 177.26 2kwp s ASN 88 N -1.97 0.58 0.07 2.29 0.02 -1.26 -4.71 114.94 109.96 2kwp s ASN 88 Ca 0.43 -1.42 -0.32 0.00 -1.02 0.00 0.00 52.86 50.53 2kwp s ASN 88 Cb -0.13 0.49 -0.11 0.00 0.02 0.00 0.00 41.25 41.51 2kwp s ASN 88 CO 0.20 -1.00 1.84 0.18 0.02 0.00 0.00 177.10 178.34 2kwp n LEU 89 N -0.41 3.81 0.00 0.60 7.99 -1.26 -0.80 117.00 126.93 2kwp n LEU 89 Ca 0.03 0.98 0.00 0.00 -0.01 0.00 0.00 56.01 57.01 2kwp n LEU 89 Cb 0.64 -1.49 0.00 0.00 -0.11 0.00 0.00 43.42 42.46 2kwp n LEU 89 CO 0.31 0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.87 2kwp n GLY 90 N 4.22 0.67 3.94 -0.72 0.00 -1.22 -5.01 105.19 107.06 2kwp n GLY 90 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.73 6.35 -0.12 1.61 1.01 0.02 -4.85 116.67 117.95 2kwp s ASP 91 Ca 0.00 0.43 -0.00 0.00 0.71 0.00 0.00 52.55 53.69 2kwp s ASP 91 Cb 0.00 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 2kwp s ASP 91 CO 0.00 -0.18 -0.11 -0.31 0.21 0.00 0.00 175.17 174.78 2kwp s TYR 92 N -2.11 2.84 -0.09 4.23 2.02 -1.26 -0.60 117.35 122.38 2kwp s TYR 92 Ca 0.39 -0.45 -0.11 0.00 -0.37 0.00 0.00 57.07 56.53 2kwp s TYR 92 Cb -0.10 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 2kwp s TYR 92 CO 0.32 -0.07 0.26 0.08 -1.57 0.00 0.00 175.55 174.57 2kwp s VAL 93 N 0.09 5.30 0.14 0.71 1.01 0.14 -4.85 120.40 122.94 2kwp s VAL 93 Ca -0.05 0.49 0.09 0.00 0.00 0.00 0.00 61.98 62.51 2kwp s VAL 93 Cb -0.14 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2kwp s VAL 93 CO 0.04 0.55 -0.21 -1.61 0.00 0.00 0.00 175.10 173.87 2kwp s GLU 94 N -0.64 1.24 -0.05 2.72 2.02 -1.26 -0.73 118.70 122.01 2kwp s GLU 94 Ca 0.18 -1.31 -0.23 0.00 0.02 0.00 0.00 54.97 53.63 2kwp s GLU 94 Cb -0.14 -1.45 0.05 0.00 0.10 0.00 0.00 34.13 32.69 2kwp s GLU 94 CO 0.07 0.32 0.50 0.34 0.02 0.00 0.00 175.26 176.51 2kwp s ASP 95 N -2.28 -0.44 0.06 -0.19 2.15 -0.76 -4.94 116.67 110.26 2kwp s ASP 95 Ca 0.12 0.46 -0.27 0.00 0.43 0.00 0.00 52.55 53.29 2kwp s ASP 95 Cb -0.08 0.48 -0.05 0.00 -0.30 0.00 0.00 42.92 42.97 2kwp s ASP 95 CO 0.06 -0.50 0.86 -1.58 -0.17 0.00 0.00 175.17 173.83 2kwp s GLN 96 N -1.14 4.58 0.06 4.34 0.74 -1.26 -0.28 119.66 126.70 2kwp s GLN 96 Ca -0.11 1.25 0.03 0.00 0.05 0.00 0.00 55.36 56.58 2kwp s GLN 96 Cb -0.03 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.67 2kwp s GLN 96 CO 0.07 0.21 -0.10 0.96 -0.55 0.00 0.00 175.29 175.87 2kwp s ILE 97 N 0.13 0.79 0.37 -2.34 -4.36 -0.81 -4.87 121.20 110.11 2kwp s ILE 97 Ca 0.43 -1.27 -0.26 0.00 -0.26 0.00 0.00 60.65 59.30 2kwp s ILE 97 Cb -0.21 -0.91 -0.12 0.00 1.25 0.00 0.00 42.46 42.47 2kwp s ILE 97 CO 0.26 -0.38 0.99 1.21 0.24 0.00 0.00 174.94 177.27 2kwp n GLU 98 N 1.21 1.34 -4.39 0.37 4.07 -1.26 -4.49 120.64 117.50 2kwp n GLU 98 Ca -0.21 0.48 -0.24 0.00 -0.06 0.00 0.00 57.16 57.13 2kwp n GLU 98 Cb 0.55 -1.96 -0.09 0.00 -0.06 0.00 0.00 31.44 29.89 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2kwp s SER 99 N -0.67 4.03 0.42 4.31 1.04 -1.26 -4.93 113.70 116.64 2kwp s SER 99 Ca 0.61 -0.86 0.29 0.00 0.48 0.00 0.00 55.95 56.47 2kwp s SER 99 Cb -0.61 -0.55 1.09 0.00 0.10 0.00 0.00 66.02 66.05 2kwp s SER 99 CO 0.58 0.01 1.84 1.62 0.98 0.00 0.00 173.24 178.27 2kwp h VAL 100 N 2.08 0.00 -4.03 5.02 3.04 -1.97 -3.48 116.25 116.91 2kwp h VAL 100 Ca -0.42 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.81 2kwp h VAL 100 Cb 1.25 1.38 -0.05 0.00 -2.01 0.00 0.00 31.29 31.86 2kwp h VAL 100 CO 0.61 0.00 -0.86 0.41 -1.01 0.00 0.00 177.57 176.72 2kwp n THR 101 N -2.74 -9.32 0.11 3.17 -1.04 -1.26 -4.68 114.28 98.52 2kwp n THR 101 Ca 0.02 1.89 -0.02 0.00 -2.04 0.00 0.00 64.05 63.89 2kwp n THR 101 Cb 0.31 -5.25 0.20 0.00 -1.82 0.00 0.00 70.33 63.77 2kwp n THR 101 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2kwp h PHE 102 N 2.64 0.18 0.00 -1.42 3.57 -1.94 -2.55 116.94 117.42 2kwp h PHE 102 Ca -0.21 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 2kwp h PHE 102 Cb 0.48 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 2kwp h PHE 102 CO 0.00 0.63 -0.12 0.38 -2.23 0.00 0.00 178.31 176.97 2kwp h ASP 103 N 0.11 0.00 0.02 0.41 2.03 -1.98 -2.73 116.42 114.29 2kwp h ASP 103 Ca 0.00 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.05 2kwp h ASP 103 Cb 0.95 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.47 2kwp h ASP 103 CO 0.07 0.12 -0.98 0.03 -1.03 0.00 0.00 179.24 177.45 2kwp h ARG 104 N 0.00 0.63 -4.10 4.15 3.08 -1.73 -3.46 114.38 112.96 2kwp h ARG 104 Ca -0.00 -0.71 -0.21 0.00 0.07 0.00 0.00 59.98 59.14 2kwp h ARG 104 Cb 0.45 0.21 -0.22 0.00 0.08 0.00 0.00 29.97 30.49 2kwp h ARG 104 CO 0.02 1.29 -0.71 0.96 -1.07 0.00 0.00 179.97 180.46 2kwp s ILE 105 N -3.23 0.21 -0.05 2.04 -4.36 -1.03 -5.14 121.20 109.64 2kwp s ILE 105 Ca -0.11 -0.81 0.03 0.00 -0.26 0.00 0.00 60.65 59.50 2kwp s ILE 105 Cb 0.06 -0.31 0.01 0.00 1.25 0.00 0.00 42.46 43.47 2kwp s ILE 105 CO 0.90 -0.39 -0.12 -0.89 0.24 0.00 0.00 174.94 174.69 2kwp s THR 106 N -1.21 1.06 0.17 8.37 2.01 -1.26 -4.52 115.64 120.25 2kwp s THR 106 Ca -0.12 -0.47 0.10 0.00 0.31 0.00 0.00 61.69 61.51 2kwp s THR 106 Cb -0.08 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2kwp s THR 106 CO -0.01 0.33 -0.21 0.42 -0.69 0.00 0.00 174.62 174.46 2kwp s THR 107 N 0.47 2.02 -0.18 -0.82 -4.23 -1.26 -5.02 115.64 106.61 2kwp s THR 107 Ca -0.10 -1.91 0.19 0.00 -1.18 0.00 0.00 61.69 58.69 2kwp s THR 107 Cb -0.13 -1.92 0.17 0.00 1.34 0.00 0.00 72.50 71.95 2kwp s THR 107 CO 0.02 -0.19 1.55 -0.61 -0.54 0.00 0.00 174.62 174.85 2kwp h GLN 108 N 3.36 0.00 -0.70 3.99 4.15 -2.02 -3.20 115.11 120.68 2kwp h GLN 108 Ca -0.45 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.10 2kwp h GLN 108 Cb 1.20 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 2kwp h GLN 108 CO 0.48 0.32 0.47 1.15 -1.93 0.00 0.00 178.83 179.32 2kwp h THR 109 N 0.00 0.84 -0.93 2.39 2.02 -2.00 0.27 112.91 115.50 2kwp h THR 109 Ca -0.00 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.06 2kwp h THR 109 Cb 1.18 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 2kwp h THR 109 CO 0.04 0.08 0.61 0.00 0.37 0.00 0.00 175.52 176.62 2kwp h ALA 110 N 1.66 1.39 -0.36 6.16 0.00 -1.99 -1.21 119.26 124.92 2kwp h ALA 110 Ca 0.34 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2kwp h ALA 110 Cb 0.71 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2kwp h ALA 110 CO -0.11 0.53 -0.10 0.87 0.00 0.00 0.00 179.25 180.44 2kwp h LYS 111 N 1.19 0.62 -0.52 0.00 1.57 -1.14 -2.53 116.57 115.75 2kwp h LYS 111 Ca 0.36 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2kwp h LYS 111 Cb -0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2kwp h LYS 111 CO -0.10 0.71 0.06 1.96 -0.57 0.00 0.00 179.45 181.51 2kwp h GLN 112 N 0.57 0.84 -0.20 3.15 4.20 -1.04 -2.28 115.11 120.34 2kwp h GLN 112 Ca 0.10 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 2kwp h GLN 112 Cb 0.51 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2kwp h GLN 112 CO 0.03 0.80 -0.17 0.28 -0.67 0.00 0.00 178.83 179.10 2kwp h VAL 113 N 0.79 1.22 -0.82 -0.54 2.07 -1.01 -1.69 116.25 116.27 2kwp h VAL 113 Ca 0.16 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 2kwp h VAL 113 Cb 0.39 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2kwp h VAL 113 CO 0.01 0.31 0.34 0.40 0.02 0.00 0.00 177.57 178.66 2kwp h ILE 114 N 0.32 1.26 -0.15 4.57 2.04 -1.16 -0.30 117.51 124.09 2kwp h ILE 114 Ca 0.06 -0.81 -0.22 0.00 1.00 0.00 0.00 64.86 64.89 2kwp h ILE 114 Cb 0.49 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2kwp h ILE 114 CO 0.03 0.33 -0.77 0.58 0.00 0.00 0.00 178.15 178.32 2kwp h VAL 115 N 1.19 1.28 0.19 1.67 2.07 -1.32 -1.69 116.25 119.64 2kwp h VAL 115 Ca 0.27 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 2kwp h VAL 115 Cb 0.19 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2kwp h VAL 115 CO -0.03 0.62 -0.09 -0.61 0.02 0.00 0.00 177.57 177.49 2kwp h GLN 116 N 0.51 -0.25 -0.73 1.57 4.15 -1.06 0.19 115.11 119.49 2kwp h GLN 116 Ca -0.06 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 2kwp h GLN 116 Cb 1.41 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 29.12 2kwp h GLN 116 CO 0.16 -0.06 0.35 0.87 -1.93 0.00 0.00 178.83 178.22 2kwp h LYS 117 N -0.39 1.04 -0.44 1.69 1.57 -1.12 -2.32 116.57 116.60 2kwp h LYS 117 Ca -0.03 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 2kwp h LYS 117 Cb 0.30 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2kwp h LYS 117 CO 0.04 0.81 -0.18 0.28 -0.57 0.00 0.00 179.45 179.83 2kwp h VAL 118 N 1.04 1.27 -0.72 0.50 2.07 -1.05 -2.79 116.25 116.56 2kwp h VAL 118 Ca 0.25 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.49 2kwp h VAL 118 Cb 0.11 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2kwp h VAL 118 CO -0.03 0.44 0.48 -0.09 0.02 0.00 0.00 177.57 178.39 2kwp h ARG 119 N 0.76 0.90 -0.41 1.57 2.43 -0.09 -1.06 114.38 118.48 2kwp h ARG 119 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2kwp h ARG 119 Cb 0.71 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2kwp h ARG 119 CO 0.05 0.60 0.27 1.49 -1.51 0.00 0.00 179.97 180.87 2kwp h GLU 120 N 0.93 0.54 -0.35 0.20 4.81 -1.20 -1.16 114.58 118.34 2kwp h GLU 120 Ca 0.28 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 2kwp h GLU 120 Cb -0.03 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2kwp h GLU 120 CO -0.07 0.35 0.02 0.00 -0.73 0.00 0.00 179.01 178.59 2kwp h ALA 121 N 1.75 1.38 -0.18 2.92 0.00 -1.20 -2.01 119.26 121.92 2kwp h ALA 121 Ca 0.15 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2kwp h ALA 121 Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2kwp h ALA 121 CO -0.03 0.43 -0.14 0.93 0.00 0.00 0.00 179.25 180.44 2kwp h GLU 122 N 0.52 0.30 -0.26 0.00 5.08 -1.16 -2.14 114.58 116.93 2kwp h GLU 122 Ca 0.11 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2kwp h GLU 122 Cb 0.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kwp h GLU 122 CO 0.01 0.45 0.17 0.00 -1.00 0.00 0.00 179.01 178.64 2kwp h ARG 123 N 0.28 0.32 -6.75 2.33 3.08 -1.25 -3.42 114.38 108.97 2kwp h ARG 123 Ca 0.06 -0.02 -0.57 0.00 0.07 0.00 0.00 59.98 59.51 2kwp h ARG 123 Cb 0.43 -0.07 0.14 0.00 0.08 0.00 0.00 29.97 30.55 2kwp h ARG 123 CO 0.03 0.21 0.22 0.00 -1.07 0.00 0.00 179.97 179.36 2kwp n ALA 124 N -2.50 0.42 -2.45 0.04 0.00 -0.81 -5.00 120.51 110.21 2kwp n ALA 124 Ca 0.01 0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 2kwp n ALA 124 Cb 0.08 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.30 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 -2.31 1.61 0.29 0.00 -1.94 -1.26 -5.02 119.30 110.66 2kwp s MET 125 Ca 0.67 -1.82 0.01 0.00 -1.71 0.00 0.00 55.69 52.84 2kwp s MET 125 Cb -0.50 -1.26 0.53 0.00 2.01 0.00 0.00 34.83 35.61 2kwp s MET 125 CO 0.54 0.05 1.87 1.25 -0.01 0.00 0.00 175.02 178.72 2kwp h LEU 126 N 2.22 0.94-10.12 -0.03 5.85 -1.99 -3.42 115.31 108.76 2kwp h LEU 126 Ca -0.40 0.03 -0.53 0.00 0.84 0.00 0.00 57.88 57.81 2kwp h LEU 126 Cb 1.24 -0.17 0.13 0.00 0.37 0.00 0.00 40.66 42.23 2kwp h LEU 126 CO 0.68 0.55 0.46 0.68 -0.34 0.00 0.00 178.44 180.47 2kwp s VAL 127 N -5.95 2.50 0.06 1.05 -7.23 -1.26 -4.90 120.40 104.69 2kwp s VAL 127 Ca -0.12 0.29 0.33 0.00 -1.81 0.00 0.00 61.98 60.68 2kwp s VAL 127 Cb 0.21 -3.04 0.38 0.00 0.56 0.00 0.00 36.38 34.49 2kwp s VAL 127 CO 0.81 -0.09 1.98 1.55 -0.31 0.00 0.00 175.10 179.04 2kwp h PRO 128 N 0.53 0.00 0.00 4.82 0.13 -2.05 -3.52 132.00 131.91 2kwp h PRO 128 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kwp h PRO 128 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kwp h PRO 128 CO 0.54 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.85