#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 6.39 0.46 7.83 0.01 0.32 -4.87 114.94 125.08 2kwp s ASN 2 Ca 0.00 -1.86 0.18 0.00 -0.71 0.00 0.00 52.86 50.47 2kwp s ASN 2 Cb 0.00 -2.29 1.11 0.00 0.41 0.00 0.00 41.25 40.48 2kwp s ASN 2 CO 0.00 -0.96 2.01 0.11 -1.51 0.00 0.00 177.10 176.75 2kwp h LYS 3 N 8.78 0.00 -0.52 -0.60 1.57 -1.84 -2.19 116.57 121.77 2kwp h LYS 3 Ca -0.13 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 2kwp h LYS 3 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2kwp h LYS 3 CO 1.02 0.18 -0.01 0.93 -0.57 0.00 0.00 179.45 180.99 2kwp h GLU 4 N 0.00 0.89 0.00 3.15 4.39 -1.89 -2.21 114.58 118.91 2kwp h GLU 4 Ca -0.00 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 2kwp h GLU 4 Cb 0.34 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2kwp h GLU 4 CO 0.02 0.89 -0.13 0.82 -1.16 0.00 0.00 179.01 179.45 2kwp h ILE 5 N 0.82 1.03 -0.01 3.13 2.04 -1.72 -1.81 117.51 120.99 2kwp h ILE 5 Ca 0.15 -0.47 -0.20 0.00 1.00 0.00 0.00 64.86 65.34 2kwp h ILE 5 Cb 0.50 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2kwp h ILE 5 CO 0.03 0.13 -0.86 -0.07 0.00 0.00 0.00 178.15 177.38 2kwp h LEU 6 N 0.00 0.31 -0.38 1.44 3.38 -1.38 -2.96 115.31 115.72 2kwp h LEU 6 Ca -0.00 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.54 2kwp h LEU 6 Cb 0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2kwp h LEU 6 CO 0.02 1.03 -0.61 0.00 0.09 0.00 0.00 178.44 178.97 2kwp h ALA 7 N 0.95 0.56 -0.30 1.53 0.00 -1.01 -2.71 119.26 118.27 2kwp h ALA 7 Ca -0.05 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2kwp h ALA 7 Cb 1.48 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2kwp h ALA 7 CO 0.14 0.70 -0.13 -0.24 0.00 0.00 0.00 179.25 179.71 2kwp h VAL 8 N 0.49 1.23 -0.30 0.00 3.04 -1.37 -1.16 116.25 118.19 2kwp h VAL 8 Ca -0.01 -1.05 -0.15 0.00 -1.01 0.00 0.00 66.70 64.49 2kwp h VAL 8 Cb 1.19 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 31.62 2kwp h VAL 8 CO 0.12 0.34 -0.41 0.58 -1.01 0.00 0.00 177.57 177.19 2kwp h VAL 9 N 0.47 1.29 -0.04 1.51 2.07 -1.42 -2.89 116.25 117.25 2kwp h VAL 9 Ca 0.08 -1.59 -0.15 0.00 0.82 0.00 0.00 66.70 65.87 2kwp h VAL 9 Cb 0.51 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2kwp h VAL 9 CO 0.03 0.51 -0.67 -0.33 0.02 0.00 0.00 177.57 177.13 2kwp h GLU 10 N 0.59 0.16 -0.19 1.57 5.08 -1.16 -2.66 114.58 117.98 2kwp h GLU 10 Ca 0.05 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 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 0.09 0.77 -0.16 0.00 -1.00 0.00 0.00 179.01 178.71 2kwp h ALA 11 N 1.19 1.37 0.04 3.43 0.00 -1.08 -2.14 119.26 122.07 2kwp h ALA 11 Ca -0.01 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 2kwp h ALA 11 Cb 1.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2kwp h ALA 11 CO 0.10 0.43 -1.04 0.28 0.00 0.00 0.00 179.25 179.02 2kwp h VAL 12 N 0.30 1.63 0.00 0.00 2.07 -1.39 -3.22 116.25 115.64 2kwp h VAL 12 Ca 0.06 -3.20 -0.09 0.00 0.82 0.00 0.00 66.70 64.29 2kwp h VAL 12 Cb 0.47 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 2kwp h VAL 12 CO 0.03 0.92 -0.43 0.77 0.02 0.00 0.00 177.57 178.89 2kwp h SER 13 N 0.03 0.00 -0.02 0.57 4.64 -1.11 -2.96 113.55 114.70 2kwp h SER 13 Ca -0.05 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.11 2kwp h SER 13 Cb 1.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.86 2kwp h SER 13 CO 0.15 0.43 -0.52 0.78 -0.87 0.00 0.00 176.83 176.79 2kwp h ASN 14 N 0.00 0.65 0.14 4.97 -0.26 -1.41 2.05 115.58 121.73 2kwp h ASN 14 Ca -0.00 -0.34 -0.01 0.00 -0.56 0.00 0.00 56.30 55.39 2kwp h ASN 14 Cb 0.85 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 2kwp h ASN 14 CO 0.06 1.06 -0.07 -0.33 -1.06 0.00 0.00 177.43 177.08 2kwp h GLU 15 N 0.46 -0.18 -0.20 0.81 5.08 -1.55 -3.15 114.58 115.84 2kwp h GLU 15 Ca 0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2kwp h GLU 15 Cb 1.07 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2kwp h GLU 15 CO 0.10 -0.12 -0.00 1.63 -1.00 0.00 0.00 179.01 179.62 2kwp n LYS 16 N -5.17 2.50 -2.03 2.33 5.02 -1.21 -4.93 118.16 114.67 2kwp n LYS 16 Ca -0.08 -2.80 -0.04 0.00 -2.02 0.00 0.00 58.31 53.36 2kwp n LYS 16 Cb 0.10 -1.77 -0.01 0.00 -0.02 0.00 0.00 35.03 33.34 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 -0.75 -0.64 -1.35 7.82 0.00 0.69 -4.86 120.51 121.42 2kwp n ALA 17 Ca 0.21 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 2kwp n ALA 17 Cb 0.84 -0.77 0.11 0.00 0.00 0.00 0.00 19.45 19.63 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 -4.34 2.55 0.19 0.00 1.02 -0.77 -4.95 118.68 112.38 2kwp s LEU 18 Ca 0.00 1.49 -0.30 0.00 0.02 0.00 0.00 54.13 55.34 2kwp s LEU 18 Cb 0.00 -4.05 -0.08 0.00 0.02 0.00 0.00 46.19 42.08 2kwp s LEU 18 CO 0.00 -2.25 1.27 -2.16 0.02 0.00 0.00 176.35 173.23 2kwp s PRO 19 N -5.01 4.42 0.25 1.29 0.04 -1.26 -4.65 135.00 130.08 2kwp s PRO 19 Ca 0.62 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.61 2kwp s PRO 19 Cb -0.16 -3.21 0.31 0.00 0.04 0.00 0.00 34.50 31.47 2kwp s PRO 19 CO 0.56 -0.20 1.90 0.00 0.04 0.00 0.00 177.00 179.29 2kwp h ARG 20 N 5.34 1.19 0.19 4.56 3.08 -1.93 -2.63 114.38 124.17 2kwp h ARG 20 Ca -0.45 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.55 2kwp h ARG 20 Cb 1.21 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 30.96 2kwp h ARG 20 CO 0.76 0.79 -0.41 0.93 -1.07 0.00 0.00 179.97 180.97 2kwp h GLU 21 N 1.23 -0.66 -0.53 0.04 5.08 -1.98 -1.63 114.58 116.12 2kwp h GLU 21 Ca 0.38 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.89 2kwp h GLU 21 Cb -0.01 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 2kwp h GLU 21 CO -0.12 -0.44 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.07 2kwp h LYS 22 N -0.69 -0.03 -0.40 2.33 1.63 -1.88 -0.39 116.57 117.14 2kwp h LYS 22 Ca 0.01 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.90 2kwp h LYS 22 Cb 0.69 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.24 2kwp h LYS 22 CO -0.20 -0.02 -0.24 0.82 -3.45 0.00 0.00 179.45 176.36 2kwp h ILE 23 N -0.03 0.35 -0.79 2.00 2.04 -1.05 0.43 117.51 120.47 2kwp h ILE 23 Ca 0.25 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.29 2kwp h ILE 23 Cb 0.42 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 2kwp h ILE 23 CO -0.56 0.00 0.53 -0.26 0.00 0.00 0.00 178.15 177.86 2kwp h PHE 24 N -0.17 0.39 -0.52 1.37 0.04 -0.18 0.11 116.94 117.99 2kwp h PHE 24 Ca 0.19 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 2kwp h PHE 24 Cb 0.47 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 2kwp h PHE 24 CO -0.47 0.13 0.19 0.93 -0.60 0.00 0.00 178.31 178.49 2kwp h GLU 25 N 0.31 0.79 -0.29 1.51 5.08 0.57 -0.12 114.58 122.44 2kwp h GLU 25 Ca 0.39 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 2kwp h GLU 25 Cb 1.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2kwp h GLU 25 CO -0.11 0.71 -0.18 0.00 -1.00 0.00 0.00 179.01 178.43 2kwp h ALA 26 N 1.04 0.41 -0.69 3.43 0.00 -0.27 -1.89 119.26 121.29 2kwp h ALA 26 Ca 0.17 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2kwp h ALA 26 Cb 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2kwp h ALA 26 CO -0.01 0.33 0.46 -0.07 0.00 0.00 0.00 179.25 179.96 2kwp h LEU 27 N 0.38 0.79 -1.05 0.00 3.38 -0.94 -0.12 115.31 117.74 2kwp h LEU 27 Ca 0.06 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2kwp h LEU 27 Cb 0.71 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2kwp h LEU 27 CO 0.05 0.57 -0.05 -0.33 0.09 0.00 0.00 178.44 178.77 2kwp h GLU 28 N 0.93 0.62 -0.40 1.13 5.08 -0.92 -1.09 114.58 119.93 2kwp h GLU 28 Ca 0.26 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 2kwp h GLU 28 Cb -0.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2kwp h GLU 28 CO -0.06 0.68 -0.32 0.77 -1.00 0.00 0.00 179.01 179.08 2kwp h SER 29 N 0.58 0.96 -0.37 1.42 0.02 -0.48 -0.50 113.55 115.17 2kwp h SER 29 Ca 0.11 -0.41 -0.13 0.00 -0.84 0.00 0.00 61.79 60.52 2kwp h SER 29 Cb 0.44 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2kwp h SER 29 CO 0.02 1.19 -0.27 0.00 -1.14 0.00 0.00 176.83 176.63 2kwp h ALA 30 N 0.86 0.73 -0.08 3.77 0.00 -0.69 0.27 119.26 124.13 2kwp h ALA 30 Ca 0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2kwp h ALA 30 Cb 0.90 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2kwp h ALA 30 CO 0.08 0.66 -0.07 -0.07 0.00 0.00 0.00 179.25 179.86 2kwp h LEU 31 N 0.76 0.19 -0.70 0.00 3.38 -1.09 -1.48 115.31 116.37 2kwp h LEU 31 Ca 0.09 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.51 2kwp h LEU 31 Cb 0.83 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2kwp h LEU 31 CO 0.07 0.62 0.03 0.00 0.09 0.00 0.00 178.44 179.25 2kwp h ALA 32 N 0.58 0.91 -0.70 1.53 0.00 -1.07 0.18 119.26 120.70 2kwp h ALA 32 Ca 0.01 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.67 2kwp h ALA 32 Cb 0.56 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2kwp h ALA 32 CO 0.02 0.65 0.43 1.15 0.00 0.00 0.00 179.25 181.50 2kwp h THR 33 N 0.95 1.08 0.00 0.00 2.02 -0.38 -1.07 112.91 115.51 2kwp h THR 33 Ca 0.18 -0.29 -0.15 0.00 0.77 0.00 0.00 66.41 66.92 2kwp h THR 33 Cb 0.51 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2kwp h THR 33 CO 0.02 0.15 -0.73 0.00 0.37 0.00 0.00 175.52 175.34 2kwp h ALA 34 N 1.31 0.74 0.26 6.16 0.00 -0.85 -3.29 119.26 123.58 2kwp h ALA 34 Ca 0.29 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2kwp h ALA 34 Cb 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kwp h ALA 34 CO -0.12 0.91 -0.12 1.15 0.00 0.00 0.00 179.25 181.07 2kwp h THR 35 N 0.00 0.79 -0.35 0.00 2.02 0.31 -2.52 112.91 113.16 2kwp h THR 35 Ca -0.01 -0.61 0.10 0.00 0.77 0.00 0.00 66.41 66.67 2kwp h THR 35 Cb 1.33 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 2kwp h THR 35 CO 0.09 0.13 0.54 0.07 0.37 0.00 0.00 175.52 176.72 2kwp h LYS 36 N -0.67 0.00 -0.58 6.66 2.10 -1.32 0.40 116.57 123.15 2kwp h LYS 36 Ca -0.04 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.68 2kwp h LYS 36 Cb 0.47 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.77 2kwp h LYS 36 CO 0.06 0.00 0.39 0.87 -2.00 0.00 0.00 179.45 178.76 2kwp h LYS 37 N 0.00 0.54 0.00 0.07 1.57 -1.51 2.31 116.57 119.54 2kwp h LYS 37 Ca 0.17 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2kwp h LYS 37 Cb 1.24 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2kwp h LYS 37 CO -0.00 0.36 0.14 0.87 -0.57 0.00 0.00 179.45 180.24 2kwp h LYS 38 N 0.55 0.00 0.00 3.15 1.57 -0.31 -1.08 116.57 120.46 2kwp h LYS 38 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2kwp h LYS 38 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2kwp h LYS 38 CO -0.07 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.47 2kwp n TYR 39 N -2.83 0.00 0.00 -1.35 4.02 0.12 -5.04 117.16 112.08 2kwp n TYR 39 Ca -0.02 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 2kwp n TYR 39 Cb 0.19 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 2kwp n TYR 39 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2kwp n GLU 40 N -0.09 0.00 0.00 -0.72 2.13 0.74 -0.58 120.64 122.11 2kwp n GLU 40 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kwp n GLU 40 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.98 2kwp n GLU 40 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2kwp n GLN 41 N 0.00 0.03 0.21 5.31 7.27 -1.26 -4.48 117.38 124.46 2kwp n GLN 41 Ca 0.00 -0.25 0.16 0.00 0.07 0.00 0.00 57.00 56.98 2kwp n GLN 41 Cb 0.00 -0.52 0.82 0.00 2.41 0.00 0.00 30.24 32.94 2kwp n GLN 41 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2kwp h GLU 42 N 0.00 0.00 -2.83 3.69 5.08 -1.14 -3.43 114.58 115.94 2kwp h GLU 42 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2kwp h GLU 42 Cb 0.69 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.80 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 -4.71 0.02 -0.16 3.13 -5.25 -1.26 -3.91 121.20 109.06 2kwp s ILE 43 Ca -0.05 -0.14 -0.10 0.00 -0.99 0.00 0.00 60.65 59.38 2kwp s ILE 43 Cb 0.16 -1.01 -0.05 0.00 2.95 0.00 0.00 42.46 44.51 2kwp s ILE 43 CO 0.57 -0.08 0.17 -0.62 -1.79 0.00 0.00 174.94 173.20 2kwp s ASP 44 N -2.31 6.34 -0.02 4.36 2.15 -0.38 -4.76 116.67 122.06 2kwp s ASP 44 Ca -0.02 0.39 0.07 0.00 0.43 0.00 0.00 52.55 53.42 2kwp s ASP 44 Cb -0.00 -2.10 -0.02 0.00 -0.30 0.00 0.00 42.92 40.49 2kwp s ASP 44 CO -0.06 0.26 -0.24 -0.69 -0.17 0.00 0.00 175.17 174.27 2kwp s VAL 45 N -0.19 2.25 -0.14 1.11 1.01 -1.26 -2.05 120.40 121.12 2kwp s VAL 45 Ca 0.12 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2kwp s VAL 45 Cb -0.12 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2kwp s VAL 45 CO 0.02 0.56 -0.12 -0.60 0.00 0.00 0.00 175.10 174.95 2kwp s ARG 46 N -0.71 2.05 -0.12 2.72 3.52 0.44 -4.63 118.95 122.22 2kwp s ARG 46 Ca 0.11 -0.49 -0.18 0.00 -0.13 0.00 0.00 55.73 55.03 2kwp s ARG 46 Cb -0.10 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.26 2kwp s ARG 46 CO -0.00 -0.26 0.46 0.08 -0.81 0.00 0.00 175.30 174.77 2kwp s VAL 47 N 1.55 5.19 -0.19 7.11 1.01 -1.26 -1.00 120.40 132.80 2kwp s VAL 47 Ca 0.04 0.93 0.01 0.00 0.00 0.00 0.00 61.98 62.96 2kwp s VAL 47 Cb -0.13 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2kwp s VAL 47 CO -0.10 0.34 -0.13 -1.58 0.00 0.00 0.00 175.10 173.63 2kwp s GLN 48 N 0.55 2.28 0.10 2.72 0.74 -0.82 -4.64 119.66 120.60 2kwp s GLN 48 Ca 0.25 -0.85 0.03 0.00 0.05 0.00 0.00 55.36 54.84 2kwp s GLN 48 Cb -0.15 -2.44 -0.04 0.00 1.10 0.00 0.00 33.01 31.48 2kwp s GLN 48 CO 0.10 -0.37 0.15 0.42 -0.55 0.00 0.00 175.29 175.05 2kwp s ILE 49 N 1.36 4.86 -0.27 -2.34 1.01 -1.26 -3.21 121.20 121.35 2kwp s ILE 49 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 2kwp s ILE 49 Cb -0.15 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2kwp s ILE 49 CO -0.09 0.05 0.09 -1.81 0.00 0.00 0.00 174.94 173.18 2kwp s ASP 50 N -2.69 5.22 0.20 3.58 1.01 0.06 -4.87 116.67 119.19 2kwp s ASP 50 Ca 0.32 -0.35 0.03 0.00 0.71 0.00 0.00 52.55 53.26 2kwp s ASP 50 Cb -0.12 -1.93 0.13 0.00 1.01 0.00 0.00 42.92 42.00 2kwp s ASP 50 CO 0.25 -0.09 1.47 -0.09 0.21 0.00 0.00 175.17 176.92 2kwp h ARG 51 N 8.26 0.24 -0.91 8.23 2.43 -1.94 2.47 114.38 133.15 2kwp h ARG 51 Ca -0.36 -0.20 0.23 0.00 -0.81 0.00 0.00 59.98 58.84 2kwp h ARG 51 Cb 1.16 0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 30.63 2kwp h ARG 51 CO 0.59 0.86 0.42 0.87 -1.51 0.00 0.00 179.97 181.21 2kwp h LYS 52 N 0.16 0.41 0.00 0.20 6.56 -2.00 -3.27 116.57 118.62 2kwp h LYS 52 Ca -0.02 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 2kwp h LYS 52 Cb 1.29 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2kwp h LYS 52 CO 0.11 0.27 -0.59 0.43 -2.06 0.00 0.00 179.45 177.61 2kwp n SER 53 N -5.03 2.94 -0.10 0.86 7.64 -1.20 -5.04 113.62 113.68 2kwp n SER 53 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2kwp n SER 53 Cb 0.68 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 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 1.65 0.78 3.62 0.23 0.00 0.82 -4.02 105.19 108.27 2kwp n GLY 54 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.78 6.68 -0.30 1.61 2.15 -0.79 0.12 116.67 124.36 2kwp s ASP 55 Ca 0.00 0.70 -0.11 0.00 0.43 0.00 0.00 52.55 53.57 2kwp s ASP 55 Cb 0.00 -2.42 -0.03 0.00 -0.30 0.00 0.00 42.92 40.17 2kwp s ASP 55 CO 0.00 -0.63 0.19 0.12 -0.17 0.00 0.00 175.17 174.68 2kwp s PHE 56 N 2.99 3.20 0.01 -5.34 5.36 -1.26 -0.76 117.98 122.18 2kwp s PHE 56 Ca 0.33 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.17 2kwp s PHE 56 Cb -0.14 -2.39 -0.01 0.00 -0.34 0.00 0.00 43.02 40.13 2kwp s PHE 56 CO 0.12 -0.29 -0.03 0.34 -1.46 0.00 0.00 175.22 173.91 2kwp s ASP 57 N 1.71 0.25 -0.16 6.13 -1.08 -1.20 -4.99 116.67 117.34 2kwp s ASP 57 Ca 0.06 -0.25 -0.06 0.00 -0.52 0.00 0.00 52.55 51.79 2kwp s ASP 57 Cb -0.17 0.03 -0.04 0.00 -1.46 0.00 0.00 42.92 41.29 2kwp s ASP 57 CO 0.09 -0.12 0.02 -0.89 0.52 0.00 0.00 175.17 174.80 2kwp s THR 58 N -0.68 4.46 0.13 1.71 2.01 -1.26 -1.94 115.64 120.07 2kwp s THR 58 Ca -0.06 -0.16 0.06 0.00 0.31 0.00 0.00 61.69 61.84 2kwp s THR 58 Cb -0.05 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 2kwp s THR 58 CO -0.00 0.49 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.91 2kwp s PHE 59 N 0.17 1.48 0.04 4.92 0.08 -0.17 -1.76 117.98 122.74 2kwp s PHE 59 Ca 0.02 -0.54 -0.07 0.00 0.12 0.00 0.00 56.93 56.46 2kwp s PHE 59 Cb -0.13 -0.77 -0.05 0.00 -0.57 0.00 0.00 43.02 41.50 2kwp s PHE 59 CO 0.01 0.18 0.32 0.50 -0.10 0.00 0.00 175.22 176.13 2kwp s ARG 60 N -2.67 3.63 0.10 0.44 3.52 0.36 0.17 118.95 124.50 2kwp s ARG 60 Ca 0.10 -0.02 0.08 0.00 -0.13 0.00 0.00 55.73 55.76 2kwp s ARG 60 Cb -0.05 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 2kwp s ARG 60 CO 0.04 0.60 -0.20 -0.98 -0.81 0.00 0.00 175.30 173.95 2kwp s ARG 61 N -1.92 1.07 -0.02 5.12 1.70 -0.87 -0.32 118.95 123.71 2kwp s ARG 61 Ca 0.31 -1.13 -0.11 0.00 -0.47 0.00 0.00 55.73 54.32 2kwp s ARG 61 Cb -0.13 -1.29 0.02 0.00 -0.57 0.00 0.00 34.95 32.98 2kwp s ARG 61 CO 0.18 0.30 0.24 -1.58 -1.08 0.00 0.00 175.30 173.36 2kwp s TRP 62 N -1.22 -0.11 -0.20 5.89 0.51 -0.08 -4.45 118.94 119.29 2kwp s TRP 62 Ca 0.05 0.16 -0.10 0.00 -2.12 0.00 0.00 56.10 54.09 2kwp s TRP 62 Cb -0.10 0.04 -0.05 0.00 -0.81 0.00 0.00 33.47 32.56 2kwp s TRP 62 CO 0.04 -0.33 0.15 -1.17 -0.51 0.00 0.00 176.95 175.13 2kwp s LEU 63 N -1.21 4.21 0.02 2.99 1.98 -1.25 0.11 118.68 125.54 2kwp s LEU 63 Ca -0.13 0.26 -0.30 0.00 -2.89 0.00 0.00 54.13 51.07 2kwp s LEU 63 Cb -0.06 -2.12 -0.08 0.00 0.66 0.00 0.00 46.19 44.60 2kwp s LEU 63 CO 0.03 0.17 1.75 -0.69 -1.89 0.00 0.00 176.35 175.72 2kwp s VAL 64 N 0.38 3.20 0.05 1.68 1.01 0.16 -0.74 120.40 126.13 2kwp s VAL 64 Ca 0.09 0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.53 2kwp s VAL 64 Cb -0.11 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2kwp s VAL 64 CO -0.01 -0.02 -0.15 -0.69 0.00 0.00 0.00 175.10 174.22 2kwp s VAL 65 N 3.65 1.23 -0.35 2.92 1.01 0.67 -2.66 120.40 126.88 2kwp s VAL 65 Ca 0.78 -1.09 0.27 0.00 0.00 0.00 0.00 61.98 61.94 2kwp s VAL 65 Cb -0.39 -1.11 0.30 0.00 0.00 0.00 0.00 36.38 35.18 2kwp s VAL 65 CO 0.34 0.01 1.79 -0.78 0.00 0.00 0.00 175.10 176.46 2kwp h ASP 66 N 4.82 0.00 -0.47 3.32 3.58 -1.92 2.13 116.42 127.88 2kwp h ASP 66 Ca -0.39 0.00 -0.29 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 0.43 0.00 -0.64 -1.84 -2.88 0.00 0.00 179.24 174.31 2kwp n GLU 67 N -2.52 1.08 -1.48 0.28 0.28 -1.26 -4.67 120.64 112.35 2kwp n GLU 67 Ca 0.02 -2.32 -0.61 0.00 -0.16 0.00 0.00 57.16 54.09 2kwp n GLU 67 Cb 0.29 -0.86 -0.10 0.00 1.43 0.00 0.00 31.44 32.20 2kwp n GLU 67 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2kwp n VAL 68 N -0.01 0.00 0.73 3.84 0.31 -1.25 -4.76 118.33 117.18 2kwp n VAL 68 Ca 0.07 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.53 2kwp n VAL 68 Cb 0.76 -0.47 0.42 0.00 -0.91 0.00 0.00 33.84 33.63 2kwp n VAL 68 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2kwp n THR 69 N 4.63 0.39 -3.38 2.52 -2.24 -1.26 -4.66 114.28 110.27 2kwp n THR 69 Ca 0.37 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.86 2kwp n THR 69 Cb -0.05 -0.46 -0.08 0.00 -2.10 0.00 0.00 70.33 67.63 2kwp n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2kwp s GLN 70 N -3.08 0.34 0.00 -0.78 -0.21 -1.26 -5.01 119.66 109.66 2kwp s GLN 70 Ca 0.11 0.56 0.16 0.00 0.02 0.00 0.00 55.36 56.20 2kwp s GLN 70 Cb 0.14 -0.45 0.93 0.00 1.00 0.00 0.00 33.01 34.64 2kwp s GLN 70 CO 0.60 -0.61 1.35 -0.35 -2.12 0.00 0.00 175.29 174.16 2kwp n PRO 71 N 5.36 0.54 -0.00 2.91 -0.04 -1.25 -2.09 135.00 140.43 2kwp n PRO 71 Ca -0.04 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.31 2kwp n PRO 71 Cb 0.50 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.08 -0.08 0.52 1.35 -1.86 -3.37 112.91 110.55 2kwp h THR 72 Ca 0.00 -1.48 -0.00 0.00 -0.55 0.00 0.00 66.41 64.38 2kwp h THR 72 Cb 0.00 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2kwp h THR 72 CO 0.00 0.31 -0.03 0.29 -0.25 0.00 0.00 175.52 175.85 2kwp n LYS 73 N -4.80 1.75 -3.77 4.72 5.02 -1.23 -1.24 118.16 118.61 2kwp n LYS 73 Ca -0.07 -2.70 -0.13 0.00 -2.02 0.00 0.00 58.31 53.38 2kwp n LYS 73 Cb 0.29 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 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 -2.90 0.44 -0.12 1.97 2.02 -0.89 -3.76 118.70 115.46 2kwp s GLU 74 Ca 0.35 0.28 0.02 0.00 0.02 0.00 0.00 54.97 55.64 2kwp s GLU 74 Cb 0.30 0.21 -0.00 0.00 0.10 0.00 0.00 34.13 34.74 2kwp s GLU 74 CO 0.04 -0.08 -0.21 -1.50 0.02 0.00 0.00 175.26 173.54 2kwp s ILE 75 N -0.20 2.32 0.96 -1.63 2.07 0.08 -3.84 121.20 120.95 2kwp s ILE 75 Ca -0.03 -0.92 -0.12 0.00 -1.41 0.00 0.00 60.65 58.17 2kwp s ILE 75 Cb -0.03 -1.92 0.12 0.00 0.13 0.00 0.00 42.46 40.75 2kwp s ILE 75 CO 0.01 0.55 0.81 0.35 -1.91 0.00 0.00 174.94 174.75 2kwp n THR 76 N 3.69 0.00 -0.15 4.00 -2.24 -1.26 -0.23 114.28 118.08 2kwp n THR 76 Ca -0.19 -0.12 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 2kwp n THR 76 Cb 0.53 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.86 0.59 -0.44 3.22 5.85 0.32 -1.18 115.31 121.82 2kwp h LEU 77 Ca -0.45 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.14 2kwp h LEU 77 Cb 1.28 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2kwp h LEU 77 CO 0.39 0.56 0.28 -0.08 -0.34 0.00 0.00 178.44 179.25 2kwp h GLU 78 N 0.58 0.56 -0.76 1.25 4.81 -1.90 -1.91 114.58 117.21 2kwp h GLU 78 Ca 0.15 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2kwp h GLU 78 Cb 0.13 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 2kwp h GLU 78 CO -0.02 0.37 0.49 0.00 -0.73 0.00 0.00 179.01 179.12 2kwp h ALA 79 N 1.17 0.99 -0.84 2.92 0.00 -1.82 -1.25 119.26 120.43 2kwp h ALA 79 Ca 0.16 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2kwp h ALA 79 Cb -0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 2kwp h ALA 79 CO -0.04 0.30 0.56 0.00 0.00 0.00 0.00 179.25 180.06 2kwp h ALA 80 N 1.32 1.47 -0.46 0.00 0.00 -0.58 -1.12 119.26 119.88 2kwp h ALA 80 Ca 0.30 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2kwp h ALA 80 Cb -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2kwp h ALA 80 CO -0.10 0.45 -0.05 0.00 0.00 0.00 0.00 179.25 179.55 2kwp h ARG 81 N 1.06 0.78 -0.48 0.00 3.08 -0.50 0.33 114.38 118.65 2kwp h ARG 81 Ca 0.33 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 2kwp h ARG 81 Cb 0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2kwp h ARG 81 CO -0.09 0.82 -0.00 1.88 -1.07 0.00 0.00 179.97 181.50 2kwp h TYR 82 N 0.72 0.85 0.00 3.04 0.05 -0.50 -1.79 116.97 119.34 2kwp h TYR 82 Ca 0.13 -0.12 -0.21 0.00 0.05 0.00 0.00 58.73 58.58 2kwp h TYR 82 Cb 0.51 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 2kwp h TYR 82 CO 0.03 0.79 -1.07 1.49 -1.05 0.00 0.00 178.16 178.35 2kwp h GLU 83 N 0.74 0.00 -0.44 4.88 4.57 -0.97 -3.44 114.58 119.93 2kwp h GLU 83 Ca 0.14 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.47 2kwp h GLU 83 Cb 0.46 0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 28.86 2kwp h GLU 83 CO 0.02 0.84 -0.13 -0.51 -1.18 0.00 0.00 179.01 178.05 2kwp s ASP 84 N -6.56 -0.70 0.61 1.04 1.01 0.11 -4.99 116.67 107.19 2kwp s ASP 84 Ca 0.00 -0.02 0.27 0.00 0.71 0.00 0.00 52.55 53.51 2kwp s ASP 84 Cb 0.09 1.31 1.35 0.00 1.01 0.00 0.00 42.92 46.68 2kwp s ASP 84 CO 0.81 -0.12 1.77 -0.33 0.21 0.00 0.00 175.17 177.51 2kwp h GLU 85 N 7.05 0.00 0.00 8.23 5.08 -1.48 1.12 114.58 134.58 2kwp h GLU 85 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2kwp h GLU 85 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kwp h GLU 85 CO -0.03 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.85 2kwp n SER 86 N -3.39 0.00 -4.79 1.42 3.41 -1.26 -4.71 113.62 104.30 2kwp n SER 86 Ca 0.08 0.44 -0.35 0.00 -0.26 0.00 0.00 58.87 58.77 2kwp n SER 86 Cb 0.74 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.93 4.10 0.38 1.04 1.43 0.39 -5.06 118.68 118.02 2kwp s LEU 87 Ca 0.07 1.90 0.05 0.00 -1.03 0.00 0.00 54.13 55.12 2kwp s LEU 87 Cb 0.08 -4.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 2kwp s LEU 87 CO 0.22 -0.41 0.19 0.20 0.23 0.00 0.00 176.35 176.79 2kwp s ASN 88 N -1.77 2.39 0.04 2.29 0.01 -1.26 -4.77 114.94 111.86 2kwp s ASN 88 Ca 0.58 -1.73 -0.30 0.00 -0.71 0.00 0.00 52.86 50.71 2kwp s ASN 88 Cb -0.17 0.56 -0.08 0.00 0.41 0.00 0.00 41.25 41.96 2kwp s ASN 88 CO 0.22 -1.00 1.75 -0.22 -1.51 0.00 0.00 177.10 176.34 2kwp s LEU 89 N -3.52 4.38 0.00 0.60 1.98 -1.26 -1.43 118.68 119.42 2kwp s LEU 89 Ca 0.30 2.50 0.00 0.00 -2.89 0.00 0.00 54.13 54.04 2kwp s LEU 89 Cb 0.02 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 43.32 2kwp s LEU 89 CO 0.20 -0.95 0.00 0.61 -1.89 0.00 0.00 176.35 174.32 2kwp n GLY 90 N 4.18 0.33 3.91 7.98 0.00 -1.09 -5.01 105.19 115.49 2kwp n GLY 90 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.17 5.92 -0.08 1.61 1.01 -0.51 -4.75 116.67 117.70 2kwp s ASP 91 Ca 0.00 0.85 0.01 0.00 0.71 0.00 0.00 52.55 54.11 2kwp s ASP 91 Cb 0.00 -1.98 -0.03 0.00 1.01 0.00 0.00 42.92 41.92 2kwp s ASP 91 CO 0.00 -0.85 -0.08 -0.31 0.21 0.00 0.00 175.17 174.14 2kwp s TYR 92 N -2.90 2.89 -0.21 4.23 2.02 -1.26 0.39 117.35 122.52 2kwp s TYR 92 Ca 0.51 -0.10 -0.09 0.00 -0.37 0.00 0.00 57.07 57.02 2kwp s TYR 92 Cb -0.10 -1.73 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 2kwp s TYR 92 CO 0.46 0.23 0.12 0.08 -1.57 0.00 0.00 175.55 174.86 2kwp s VAL 93 N -0.59 5.15 0.24 0.71 1.01 0.31 -4.85 120.40 122.37 2kwp s VAL 93 Ca 0.09 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.22 2kwp s VAL 93 Cb -0.12 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2kwp s VAL 93 CO 0.02 0.40 0.30 -1.61 0.00 0.00 0.00 175.10 174.21 2kwp s GLU 94 N 0.72 3.28 -0.05 2.72 2.02 -1.26 -0.90 118.70 125.23 2kwp s GLU 94 Ca 0.06 -0.84 -0.26 0.00 0.02 0.00 0.00 54.97 53.95 2kwp s GLU 94 Cb -0.13 -2.79 0.06 0.00 0.10 0.00 0.00 34.13 31.37 2kwp s GLU 94 CO 0.02 0.43 0.57 0.34 0.02 0.00 0.00 175.26 176.64 2kwp s ASP 95 N -3.88 -0.53 -0.11 -0.19 2.15 0.56 -4.88 116.67 109.80 2kwp s ASP 95 Ca 0.34 0.56 -0.19 0.00 0.43 0.00 0.00 52.55 53.69 2kwp s ASP 95 Cb -0.09 0.51 -0.04 0.00 -0.30 0.00 0.00 42.92 43.00 2kwp s ASP 95 CO 0.28 -0.55 0.50 -1.58 -0.17 0.00 0.00 175.17 173.65 2kwp s GLN 96 N -1.17 4.34 0.06 4.34 0.74 -1.26 0.14 119.66 126.85 2kwp s GLN 96 Ca -0.11 0.51 0.01 0.00 0.05 0.00 0.00 55.36 55.81 2kwp s GLN 96 Cb -0.02 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 2kwp s GLN 96 CO 0.08 0.16 -0.05 0.96 -0.55 0.00 0.00 175.29 175.89 2kwp s ILE 97 N 0.58 0.42 0.48 -2.34 -4.36 -0.72 -4.84 121.20 110.41 2kwp s ILE 97 Ca 0.27 -1.53 -0.21 0.00 -0.26 0.00 0.00 60.65 58.92 2kwp s ILE 97 Cb -0.16 -1.14 -0.11 0.00 1.25 0.00 0.00 42.46 42.30 2kwp s ILE 97 CO 0.11 -0.74 0.66 -0.62 0.24 0.00 0.00 174.94 174.60 2kwp n GLU 98 N 0.63 0.73 -4.37 0.37 1.02 -1.26 -4.35 120.64 113.40 2kwp n GLU 98 Ca -0.17 0.27 -0.20 0.00 -0.02 0.00 0.00 57.16 57.04 2kwp n GLU 98 Cb 0.58 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 30.19 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kwp s SER 99 N -0.99 2.84 0.00 1.62 1.04 -1.26 -4.82 113.70 112.13 2kwp s SER 99 Ca 0.66 -1.00 0.21 0.00 0.48 0.00 0.00 55.95 56.30 2kwp s SER 99 Cb -0.54 -0.18 0.93 0.00 0.10 0.00 0.00 66.02 66.33 2kwp s SER 99 CO 0.56 -0.10 1.69 0.55 0.98 0.00 0.00 173.24 176.92 2kwp n VAL 100 N -0.34 0.51 -0.80 5.02 3.14 -1.26 -5.00 118.33 119.59 2kwp n VAL 100 Ca -0.08 0.13 0.08 0.00 -2.96 0.00 0.00 64.34 61.51 2kwp n VAL 100 Cb 0.60 -0.76 -0.04 0.00 -1.06 0.00 0.00 33.84 32.57 2kwp n VAL 100 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2kwp n THR 101 N -1.48 -0.71 -4.12 1.55 -1.04 -1.26 -4.88 114.28 102.34 2kwp n THR 101 Ca 0.06 0.58 -0.35 0.00 -2.04 0.00 0.00 64.05 62.29 2kwp n THR 101 Cb 0.24 -0.89 -0.09 0.00 -1.82 0.00 0.00 70.33 67.77 2kwp n THR 101 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2kwp s PHE 102 N -3.91 3.28 0.57 -1.42 5.36 -1.26 -5.08 117.98 115.54 2kwp s PHE 102 Ca 0.00 0.19 -0.20 0.00 -0.96 0.00 0.00 56.93 55.96 2kwp s PHE 102 Cb 0.00 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.69 2kwp s PHE 102 CO 0.00 0.37 1.28 0.34 -1.46 0.00 0.00 175.22 175.75 2kwp s ASP 103 N -0.34 5.18 0.36 6.13 2.15 -1.26 -4.87 116.67 124.02 2kwp s ASP 103 Ca 0.09 2.57 0.08 0.00 0.43 0.00 0.00 52.55 55.72 2kwp s ASP 103 Cb -0.12 -2.62 0.81 0.00 -0.30 0.00 0.00 42.92 40.69 2kwp s ASP 103 CO 0.02 -1.61 1.91 0.03 -0.17 0.00 0.00 175.17 175.34 2kwp h ARG 104 N 1.13 0.67 -6.84 4.34 3.08 -1.98 -3.42 114.38 111.37 2kwp h ARG 104 Ca -0.51 -0.04 -0.57 0.00 0.07 0.00 0.00 59.98 58.93 2kwp h ARG 104 Cb 1.30 -0.15 0.16 0.00 0.08 0.00 0.00 29.97 31.36 2kwp h ARG 104 CO 0.56 0.44 0.15 0.44 -1.07 0.00 0.00 179.97 180.50 2kwp n ILE 105 N -4.52 3.65 1.13 2.04 -5.35 -1.26 -4.80 119.36 110.25 2kwp n ILE 105 Ca 0.15 -0.50 0.13 0.00 -0.27 0.00 0.00 62.75 62.25 2kwp n ILE 105 Cb 0.39 -1.18 0.35 0.00 -1.74 0.00 0.00 39.64 37.46 2kwp n ILE 105 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2kwp n THR 106 N -1.64 0.00 -4.22 7.28 -2.24 -1.26 -4.87 114.28 107.34 2kwp n THR 106 Ca 0.13 -0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.68 2kwp n THR 106 Cb 0.47 0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 68.82 2kwp n THR 106 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2kwp s THR 107 N -2.76 1.28 -0.18 4.28 -4.23 -1.26 -4.70 115.64 108.06 2kwp s THR 107 Ca 0.18 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2kwp s THR 107 Cb 0.18 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.62 2kwp s THR 107 CO 0.60 -0.35 0.00 1.67 -0.54 0.00 0.00 174.62 176.00 2kwp n GLN 108 N 0.77 0.00 0.01 3.99 7.27 -1.26 -4.95 117.38 123.20 2kwp n GLN 108 Ca -0.17 0.00 0.02 0.00 0.07 0.00 0.00 57.00 56.92 2kwp n GLN 108 Cb 0.56 0.00 0.38 0.00 2.41 0.00 0.00 30.24 33.59 2kwp n GLN 108 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 2kwp h THR 109 N 0.00 1.14 0.00 1.69 2.02 -2.01 -1.00 112.91 114.75 2kwp h THR 109 Ca 0.00 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 2kwp h THR 109 Cb 0.00 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2kwp h THR 109 CO 0.00 0.17 -0.07 0.00 0.37 0.00 0.00 175.52 175.99 2kwp h ALA 110 N 1.65 1.45 -0.76 6.16 0.00 -1.98 -2.36 119.26 123.41 2kwp h ALA 110 Ca 0.13 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2kwp h ALA 110 Cb 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2kwp h ALA 110 CO -0.01 0.09 0.45 -0.22 0.00 0.00 0.00 179.25 179.55 2kwp h LYS 111 N 0.00 0.78 -0.03 0.00 3.64 -1.54 0.22 116.57 119.63 2kwp h LYS 111 Ca -0.00 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2kwp h LYS 111 Cb 0.18 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2kwp h LYS 111 CO 0.01 0.52 -0.35 1.96 -2.27 0.00 0.00 179.45 179.32 2kwp h GLN 112 N 0.80 0.05 -0.13 1.90 4.20 -1.55 -2.79 115.11 117.60 2kwp h GLN 112 Ca 0.34 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.83 2kwp h GLN 112 Cb 0.22 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2kwp h GLN 112 CO -0.19 0.40 -0.76 0.28 -0.67 0.00 0.00 178.83 177.89 2kwp h VAL 113 N 0.05 1.32 -0.63 -0.54 2.07 -1.08 -2.08 116.25 115.36 2kwp h VAL 113 Ca 0.00 -2.03 0.02 0.00 0.82 0.00 0.00 66.70 65.51 2kwp h VAL 113 Cb 0.64 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 2kwp h VAL 113 CO 0.05 0.63 0.40 0.40 0.02 0.00 0.00 177.57 179.07 2kwp h ILE 114 N 0.44 1.11 -0.21 4.57 2.04 -0.77 0.69 117.51 125.38 2kwp h ILE 114 Ca -0.04 -0.27 -0.17 0.00 1.00 0.00 0.00 64.86 65.37 2kwp h ILE 114 Cb 1.36 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2kwp h ILE 114 CO 0.15 0.15 -0.56 1.62 0.00 0.00 0.00 178.15 179.50 2kwp h VAL 115 N 0.80 1.31 -0.22 1.67 3.04 -1.52 -0.49 116.25 120.84 2kwp h VAL 115 Ca 0.24 -1.79 -0.13 0.00 -1.01 0.00 0.00 66.70 64.01 2kwp h VAL 115 Cb -0.03 1.74 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2kwp h VAL 115 CO -0.08 0.56 -0.36 1.56 -1.01 0.00 0.00 177.57 178.24 2kwp h GLN 116 N 0.50 0.63 -0.46 4.17 4.20 -0.81 -2.17 115.11 121.17 2kwp h GLN 116 Ca 0.01 -0.38 -0.14 0.00 0.06 0.00 0.00 58.65 58.20 2kwp h GLN 116 Cb 1.12 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 2kwp h GLN 116 CO 0.11 1.00 -0.25 0.87 -0.67 0.00 0.00 178.83 179.89 2kwp h LYS 117 N 0.32 0.98 -0.79 1.46 1.79 0.39 -2.57 116.57 118.15 2kwp h LYS 117 Ca 0.02 -0.43 -0.04 0.00 -2.18 0.00 0.00 60.65 58.02 2kwp h LYS 117 Cb 0.95 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.54 2kwp h LYS 117 CO 0.08 1.11 0.35 0.28 -1.08 0.00 0.00 179.45 180.19 2kwp h VAL 118 N 0.83 1.25 -0.34 0.50 2.07 -1.07 -2.24 116.25 117.26 2kwp h VAL 118 Ca 0.10 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 2kwp h VAL 118 Cb 0.83 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2kwp h VAL 118 CO 0.07 0.31 -0.04 0.03 0.02 0.00 0.00 177.57 177.96 2kwp h ARG 119 N 1.13 0.55 0.00 1.57 3.08 -1.24 -1.98 114.38 117.49 2kwp h ARG 119 Ca 0.27 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 2kwp h ARG 119 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2kwp h ARG 119 CO -0.03 0.61 -0.23 0.93 -1.07 0.00 0.00 179.97 180.19 2kwp h GLU 120 N 0.52 0.00 -0.86 0.04 5.08 -1.00 -2.52 114.58 115.85 2kwp h GLU 120 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2kwp h GLU 120 Cb 0.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2kwp h GLU 120 CO 0.02 0.23 0.45 0.00 -1.00 0.00 0.00 179.01 178.70 2kwp h ALA 121 N 1.77 1.11 -0.74 3.43 0.00 -1.06 -2.27 119.26 121.51 2kwp h ALA 121 Ca -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2kwp h ALA 121 Cb 0.45 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2kwp h ALA 121 CO 0.03 0.64 0.22 1.49 0.00 0.00 0.00 179.25 181.63 2kwp h GLU 122 N 1.21 1.14 -0.52 0.00 4.81 -1.49 -2.40 114.58 117.34 2kwp h GLU 122 Ca 0.30 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2kwp h GLU 122 Cb 0.06 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2kwp h GLU 122 CO -0.04 0.98 0.23 -0.09 -0.73 0.00 0.00 179.01 179.35 2kwp h ARG 123 N 1.10 0.73 -6.94 1.92 2.43 -1.38 -3.42 114.38 108.82 2kwp h ARG 123 Ca 0.24 -0.09 -0.52 0.00 -0.81 0.00 0.00 59.98 58.79 2kwp h ARG 123 Cb 0.31 -0.14 0.08 0.00 -0.42 0.00 0.00 29.97 29.80 2kwp h ARG 123 CO -0.01 0.58 0.60 0.00 -1.51 0.00 0.00 179.97 179.64 2kwp s ALA 124 N -5.39 3.28 0.22 2.80 0.00 -0.91 -5.03 121.76 116.74 2kwp s ALA 124 Ca -0.09 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.11 2kwp s ALA 124 Cb 0.17 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 2kwp s ALA 124 CO 0.77 -0.76 -0.03 -1.64 0.00 0.00 0.00 175.76 174.10 2kwp s MET 125 N -2.18 1.33 -0.18 0.00 -1.94 -1.26 -4.98 119.30 110.08 2kwp s MET 125 Ca 0.56 -1.65 -0.16 0.00 -1.71 0.00 0.00 55.69 52.72 2kwp s MET 125 Cb -0.37 -0.71 -0.04 0.00 2.01 0.00 0.00 34.83 35.71 2kwp s MET 125 CO 0.48 -0.04 0.40 -1.17 -0.01 0.00 0.00 175.02 174.68 2kwp s LEU 126 N -3.31 4.19 -0.16 -0.03 2.96 -1.26 -5.05 118.68 116.02 2kwp s LEU 126 Ca 0.27 0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 54.70 2kwp s LEU 126 Cb 0.05 -2.53 0.06 0.00 0.50 0.00 0.00 46.19 44.26 2kwp s LEU 126 CO 0.08 -0.04 0.08 0.54 -1.32 0.00 0.00 176.35 175.69 2kwp s VAL 127 N 1.09 -0.04 0.50 1.68 0.11 -1.26 -5.13 120.40 117.34 2kwp s VAL 127 Ca 0.20 -0.15 -0.21 0.00 -2.93 0.00 0.00 61.98 58.90 2kwp s VAL 127 Cb -0.15 -0.57 -0.07 0.00 -1.53 0.00 0.00 36.38 34.06 2kwp s VAL 127 CO 0.08 -0.24 1.14 -2.16 -3.33 0.00 0.00 175.10 170.59 2kwp s PRO 128 N 2.12 3.55 0.00 1.54 0.04 -1.26 -5.35 135.00 135.64 2kwp s PRO 128 Ca 0.02 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2kwp s PRO 128 Cb -0.16 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2kwp s PRO 128 CO -0.08 -0.70 0.00 0.54 0.04 0.00 0.00 177.00 176.80