#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 6.30 0.26 7.83 3.84 0.37 -4.92 114.94 128.61 2kwp s ASN 2 Ca 0.00 -0.08 0.11 0.00 0.21 0.00 0.00 52.86 53.10 2kwp s ASN 2 Cb 0.00 -2.26 0.30 0.00 -0.55 0.00 0.00 41.25 38.75 2kwp s ASN 2 CO 0.00 -0.47 1.57 0.11 -2.79 0.00 0.00 177.10 175.52 2kwp h LYS 3 N 8.47 0.00 -0.74 0.43 1.57 -1.88 -3.09 116.57 121.34 2kwp h LYS 3 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2kwp h LYS 3 Cb 1.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 2kwp h LYS 3 CO 0.76 0.64 0.40 0.93 -0.57 0.00 0.00 179.45 181.61 2kwp h GLU 4 N 0.00 1.02 -0.65 3.15 5.08 -1.92 0.27 114.58 121.53 2kwp h GLU 4 Ca -0.01 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2kwp h GLU 4 Cb 1.18 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 2kwp h GLU 4 CO 0.08 0.75 0.30 0.82 -1.00 0.00 0.00 179.01 179.96 2kwp h ILE 5 N 1.03 1.22 -0.01 3.13 2.04 -1.85 0.02 117.51 123.09 2kwp h ILE 5 Ca 0.26 -0.64 -0.13 0.00 1.00 0.00 0.00 64.86 65.35 2kwp h ILE 5 Cb 0.02 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 2kwp h ILE 5 CO -0.04 0.26 -0.62 -0.07 0.00 0.00 0.00 178.15 177.67 2kwp h LEU 6 N 0.89 0.03 -0.31 1.44 3.38 -1.46 -2.81 115.31 116.47 2kwp h LEU 6 Ca 0.22 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 2kwp h LEU 6 Cb 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2kwp h LEU 6 CO -0.03 0.64 -0.58 0.00 0.09 0.00 0.00 178.44 178.57 2kwp h ALA 7 N 1.36 0.48 -0.02 1.53 0.00 -0.39 -2.94 119.26 119.28 2kwp h ALA 7 Ca -0.01 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 2kwp h ALA 7 Cb 1.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kwp h ALA 7 CO 0.08 0.68 -0.34 -0.24 0.00 0.00 0.00 179.25 179.44 2kwp h VAL 8 N 0.62 1.25 -0.17 0.00 3.04 -0.94 -2.51 116.25 117.55 2kwp h VAL 8 Ca 0.00 -1.20 -0.12 0.00 -1.01 0.00 0.00 66.70 64.38 2kwp h VAL 8 Cb 1.19 1.62 -0.01 0.00 -2.01 0.00 0.00 31.29 32.08 2kwp h VAL 8 CO 0.13 0.35 -0.40 0.58 -1.01 0.00 0.00 177.57 177.21 2kwp h VAL 9 N 0.04 1.30 -0.06 1.51 2.07 -1.36 -1.53 116.25 118.22 2kwp h VAL 9 Ca 0.00 -1.53 -0.13 0.00 0.82 0.00 0.00 66.70 65.86 2kwp h VAL 9 Cb 0.62 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2kwp h VAL 9 CO 0.05 0.47 -0.55 -0.33 0.02 0.00 0.00 177.57 177.23 2kwp h GLU 10 N 0.32 0.17 0.05 1.57 5.08 -1.28 0.31 114.58 120.80 2kwp h GLU 10 Ca 0.03 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 58.05 2kwp h GLU 10 Cb 0.84 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2kwp h GLU 10 CO 0.07 0.68 -1.03 0.00 -1.00 0.00 0.00 179.01 177.72 2kwp h ALA 11 N 1.30 0.33 0.02 3.43 0.00 -1.24 -2.94 119.26 120.16 2kwp h ALA 11 Ca -0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 54.91 53.87 2kwp h ALA 11 Cb 1.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2kwp h ALA 11 CO 0.08 0.98 -1.10 0.28 0.00 0.00 0.00 179.25 179.49 2kwp h VAL 12 N 0.09 1.61 -0.23 0.00 2.07 -1.17 -2.08 116.25 116.53 2kwp h VAL 12 Ca -0.07 -3.31 -0.07 0.00 0.82 0.00 0.00 66.70 64.07 2kwp h VAL 12 Cb 1.72 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 34.30 2kwp h VAL 12 CO 0.16 0.92 -0.12 0.28 0.02 0.00 0.00 177.57 178.84 2kwp h SER 13 N 0.01 0.50 0.01 0.57 0.02 -0.98 0.44 113.55 114.12 2kwp h SER 13 Ca -0.05 -0.41 -0.23 0.00 -0.84 0.00 0.00 61.79 60.26 2kwp h SER 13 Cb 1.82 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 64.23 2kwp h SER 13 CO 0.13 0.80 -0.84 -1.13 -1.14 0.00 0.00 176.83 174.65 2kwp h ASN 14 N 0.20 0.81 0.04 3.07 -0.73 -1.61 1.35 115.58 118.72 2kwp h ASN 14 Ca 0.05 -0.57 -0.18 0.00 1.87 0.00 0.00 56.30 57.47 2kwp h ASN 14 Cb 0.62 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.96 2kwp h ASN 14 CO 0.03 1.36 -0.62 -0.08 -0.37 0.00 0.00 177.43 177.75 2kwp h GLU 15 N 0.43 0.57 -0.01 6.67 4.57 -1.36 -3.12 114.58 122.34 2kwp h GLU 15 Ca -0.07 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2kwp h GLU 15 Cb 1.47 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.12 2kwp h GLU 15 CO 0.16 1.02 -0.63 1.63 -1.18 0.00 0.00 179.01 180.01 2kwp n LYS 16 N -3.93 0.54 -1.59 1.92 4.76 0.15 -4.93 118.16 115.09 2kwp n LYS 16 Ca -0.04 -0.42 -0.17 0.00 -2.87 0.00 0.00 58.31 54.81 2kwp n LYS 16 Cb 0.65 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.28 2kwp n LYS 16 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kwp n ALA 17 N -0.86 -0.30 -2.52 7.82 0.00 0.46 -4.94 120.51 120.16 2kwp n ALA 17 Ca 0.07 0.26 -0.21 0.00 0.00 0.00 0.00 53.44 53.57 2kwp n ALA 17 Cb 0.38 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 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 -4.42 3.74 0.35 0.00 1.43 -0.98 -4.99 118.68 113.81 2kwp s LEU 18 Ca 0.00 -0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 52.45 2kwp s LEU 18 Cb 0.00 -2.39 -0.10 0.00 0.03 0.00 0.00 46.19 43.73 2kwp s LEU 18 CO 0.00 -0.35 1.26 -2.16 0.23 0.00 0.00 176.35 175.33 2kwp s PRO 19 N -4.04 4.24 0.25 1.29 0.04 -1.26 -4.54 135.00 130.99 2kwp s PRO 19 Ca 0.41 2.10 -0.03 0.00 0.04 0.00 0.00 61.00 63.52 2kwp s PRO 19 Cb -0.07 -2.94 0.45 0.00 0.04 0.00 0.00 34.50 31.97 2kwp s PRO 19 CO 0.28 -0.24 1.81 0.00 0.04 0.00 0.00 177.00 178.88 2kwp h ARG 20 N 3.14 0.78 -0.60 4.56 3.08 -1.95 -1.36 114.38 122.03 2kwp h ARG 20 Ca -0.49 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 59.63 2kwp h ARG 20 Cb 1.23 -0.18 -0.09 0.00 0.08 0.00 0.00 29.97 31.02 2kwp h ARG 20 CO 0.64 0.51 0.10 1.49 -1.07 0.00 0.00 179.97 181.65 2kwp h GLU 21 N 0.80 0.22 -0.64 0.04 4.81 -1.99 -0.11 114.58 117.71 2kwp h GLU 21 Ca 0.43 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.71 2kwp h GLU 21 Cb 0.43 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 2kwp h GLU 21 CO -0.27 0.15 0.32 -0.22 -0.73 0.00 0.00 179.01 178.26 2kwp h LYS 22 N 0.23 0.57 0.13 1.92 3.64 -1.63 -2.01 116.57 119.43 2kwp h LYS 22 Ca 0.31 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2kwp h LYS 22 Cb 0.48 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2kwp h LYS 22 CO -0.42 0.38 -0.22 0.82 -2.27 0.00 0.00 179.45 177.73 2kwp h ILE 23 N 0.59 0.50 -0.87 2.00 2.04 -0.89 -0.98 117.51 119.91 2kwp h ILE 23 Ca 0.30 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.35 2kwp h ILE 23 Cb 0.25 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 2kwp h ILE 23 CO -0.21 0.00 0.57 -0.26 0.00 0.00 0.00 178.15 178.25 2kwp h PHE 24 N -0.43 0.53 -0.41 1.37 0.04 -0.89 0.60 116.94 117.75 2kwp h PHE 24 Ca 0.02 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.83 2kwp h PHE 24 Cb 0.44 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 2kwp h PHE 24 CO -0.20 0.16 0.23 0.93 -0.60 0.00 0.00 178.31 178.83 2kwp h GLU 25 N 0.41 0.46 -0.40 1.51 4.39 -0.47 0.11 114.58 120.59 2kwp h GLU 25 Ca 0.44 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 60.04 2kwp h GLU 25 Cb 1.08 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 2kwp h GLU 25 CO -0.16 0.30 -0.07 0.00 -1.16 0.00 0.00 179.01 177.92 2kwp h ALA 26 N 1.19 0.55 -0.67 3.43 0.00 -0.61 -2.13 119.26 121.01 2kwp h ALA 26 Ca 0.17 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2kwp h ALA 26 Cb 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2kwp h ALA 26 CO -0.09 0.39 0.42 -0.07 0.00 0.00 0.00 179.25 179.91 2kwp h LEU 27 N 0.57 0.70 -0.65 0.00 3.38 -0.78 -1.45 115.31 117.08 2kwp h LEU 27 Ca 0.10 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2kwp h LEU 27 Cb 0.58 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2kwp h LEU 27 CO 0.03 0.49 0.34 -0.33 0.09 0.00 0.00 178.44 179.06 2kwp h GLU 28 N 0.83 0.91 -0.29 1.13 5.08 -0.61 -0.27 114.58 121.36 2kwp h GLU 28 Ca 0.27 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2kwp h GLU 28 Cb 0.01 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2kwp h GLU 28 CO -0.10 0.70 0.11 0.77 -1.00 0.00 0.00 179.01 179.49 2kwp h SER 29 N 0.89 0.37 -0.02 1.42 0.02 -0.69 0.04 113.55 115.57 2kwp h SER 29 Ca 0.23 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.98 2kwp h SER 29 Cb 0.06 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.52 2kwp h SER 29 CO -0.03 0.34 -0.63 0.00 -1.14 0.00 0.00 176.83 175.37 2kwp h ALA 30 N 1.72 0.10 0.09 3.77 0.00 -0.47 -2.13 119.26 122.33 2kwp h ALA 30 Ca 0.10 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kwp h ALA 30 Cb 0.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kwp h ALA 30 CO -0.01 0.40 -0.04 -0.07 0.00 0.00 0.00 179.25 179.52 2kwp h LEU 31 N -0.00 -0.10 -0.41 0.00 3.38 -0.69 -1.66 115.31 115.83 2kwp h LEU 31 Ca -0.07 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.78 2kwp h LEU 31 Cb 1.32 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 2kwp h LEU 31 CO 0.13 0.10 0.18 0.00 0.09 0.00 0.00 178.44 178.94 2kwp h ALA 32 N 0.58 0.50 -0.41 1.53 0.00 -1.09 1.33 119.26 121.70 2kwp h ALA 32 Ca -0.01 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2kwp h ALA 32 Cb 0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2kwp h ALA 32 CO 0.02 -0.19 0.04 1.15 0.00 0.00 0.00 179.25 180.27 2kwp h THR 33 N 0.37 0.73 0.00 0.00 2.02 -1.23 -0.08 112.91 114.73 2kwp h THR 33 Ca 0.18 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 67.16 2kwp h THR 33 Cb 0.12 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2kwp h THR 33 CO -0.15 0.03 -0.69 0.00 0.37 0.00 0.00 175.52 175.08 2kwp h ALA 34 N 1.34 0.78 0.03 6.16 0.00 -0.60 -3.12 119.26 123.84 2kwp h ALA 34 Ca 0.20 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kwp h ALA 34 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kwp h ALA 34 CO -0.30 0.87 -0.01 1.15 0.00 0.00 0.00 179.25 180.95 2kwp h THR 35 N 0.00 1.01 0.00 0.00 2.02 0.32 -1.94 112.91 114.33 2kwp h THR 35 Ca -0.01 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 2kwp h THR 35 Cb 1.28 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.78 2kwp h THR 35 CO 0.09 0.03 -0.08 0.07 0.37 0.00 0.00 175.52 175.99 2kwp h LYS 36 N -0.08 0.00 -0.83 6.66 2.10 -1.11 -2.24 116.57 121.07 2kwp h LYS 36 Ca -0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.69 2kwp h LYS 36 Cb 0.07 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.35 2kwp h LYS 36 CO 0.01 0.08 0.55 0.87 -2.00 0.00 0.00 179.45 178.96 2kwp h LYS 37 N 0.00 0.96 -0.81 0.07 1.57 -1.28 0.85 116.57 117.93 2kwp h LYS 37 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2kwp h LYS 37 Cb 0.24 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 2kwp h LYS 37 CO 0.01 0.63 0.52 -0.22 -0.57 0.00 0.00 179.45 179.83 2kwp h LYS 38 N 0.99 1.08 -0.15 3.15 3.64 -1.38 -2.62 116.57 121.26 2kwp h LYS 38 Ca 0.34 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.44 2kwp h LYS 38 Cb 0.11 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2kwp h LYS 38 CO -0.11 0.73 -0.71 1.88 -2.27 0.00 0.00 179.45 178.96 2kwp h TYR 39 N 1.10 1.02 -0.13 1.91 0.05 -1.37 -3.46 116.97 116.08 2kwp h TYR 39 Ca 0.30 -0.44 -0.06 0.00 0.05 0.00 0.00 58.73 58.57 2kwp h TYR 39 Cb -0.10 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.45 2kwp h TYR 39 CO -0.01 1.27 -0.05 -1.91 -1.05 0.00 0.00 178.16 176.40 2kwp n GLU 40 N -4.00 -1.13 -0.82 4.88 4.07 0.19 -4.83 120.64 119.00 2kwp n GLU 40 Ca -0.07 0.45 0.02 0.00 -0.06 0.00 0.00 57.16 57.49 2kwp n GLU 40 Cb 0.71 -4.38 0.31 0.00 -0.06 0.00 0.00 31.44 28.03 2kwp n GLU 40 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2kwp n GLN 41 N -1.05 3.68 -3.96 5.31 6.02 -1.26 -4.94 117.38 121.19 2kwp n GLN 41 Ca -0.03 -3.06 -0.29 0.00 -0.01 0.00 0.00 57.00 53.61 2kwp n GLN 41 Cb 0.33 -2.10 -0.01 0.00 1.02 0.00 0.00 30.24 29.47 2kwp n GLN 41 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2kwp n GLU 42 N -0.13 -2.34 -3.73 -1.09 1.02 -1.26 -4.72 120.64 108.39 2kwp n GLU 42 Ca 0.32 0.35 -0.33 0.00 -0.02 0.00 0.00 57.16 57.47 2kwp n GLU 42 Cb 1.18 -4.15 -0.05 0.00 -0.02 0.00 0.00 31.44 28.40 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 -3.88 5.24 -0.33 -3.67 -4.36 -1.25 -4.44 121.20 108.50 2kwp s ILE 43 Ca 0.13 0.06 -0.28 0.00 -0.26 0.00 0.00 60.65 60.30 2kwp s ILE 43 Cb -0.06 -3.61 0.02 0.00 1.25 0.00 0.00 42.46 40.06 2kwp s ILE 43 CO 0.90 0.19 1.03 -0.62 0.24 0.00 0.00 174.94 176.68 2kwp s ASP 44 N -2.13 6.87 -0.04 4.36 2.15 -1.25 -4.79 116.67 121.84 2kwp s ASP 44 Ca 0.35 0.95 0.06 0.00 0.43 0.00 0.00 52.55 54.33 2kwp s ASP 44 Cb -0.13 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 39.96 2kwp s ASP 44 CO 0.22 -0.85 -0.22 -0.69 -0.17 0.00 0.00 175.17 173.46 2kwp s VAL 45 N 3.57 1.77 -0.08 1.11 1.01 -1.26 -1.93 120.40 124.59 2kwp s VAL 45 Ca 0.43 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2kwp s VAL 45 Cb -0.12 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 2kwp s VAL 45 CO 0.16 0.50 -0.22 -0.60 0.00 0.00 0.00 175.10 174.93 2kwp s ARG 46 N -0.18 2.61 -0.09 2.72 3.52 0.66 -4.69 118.95 123.49 2kwp s ARG 46 Ca -0.01 -0.80 0.02 0.00 -0.13 0.00 0.00 55.73 54.81 2kwp s ARG 46 Cb -0.12 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 31.18 2kwp s ARG 46 CO 0.02 0.23 -0.13 0.08 -0.81 0.00 0.00 175.30 174.69 2kwp s VAL 47 N 0.20 3.11 -0.09 7.11 1.01 -1.26 0.18 120.40 130.65 2kwp s VAL 47 Ca -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2kwp s VAL 47 Cb -0.16 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2kwp s VAL 47 CO 0.06 0.56 -0.08 -1.10 0.00 0.00 0.00 175.10 174.54 2kwp s GLN 48 N -0.20 2.93 0.02 2.72 -0.21 -0.68 -4.69 119.66 119.54 2kwp s GLN 48 Ca 0.01 -0.57 0.03 0.00 0.02 0.00 0.00 55.36 54.85 2kwp s GLN 48 Cb -0.13 -2.62 -0.04 0.00 1.00 0.00 0.00 33.01 31.22 2kwp s GLN 48 CO 0.03 0.55 -0.05 0.42 -2.12 0.00 0.00 175.29 174.12 2kwp s ILE 49 N -0.51 3.76 -0.31 1.08 1.01 -1.26 -0.26 121.20 124.71 2kwp s ILE 49 Ca 0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 2kwp s ILE 49 Cb -0.12 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 39.71 2kwp s ILE 49 CO 0.02 0.33 0.06 -1.81 0.00 0.00 0.00 174.94 173.54 2kwp s ASP 50 N -1.62 5.05 0.08 3.58 1.01 0.53 -4.90 116.67 120.40 2kwp s ASP 50 Ca 0.19 -0.97 -0.19 0.00 0.71 0.00 0.00 52.55 52.28 2kwp s ASP 50 Cb -0.11 -1.82 -0.09 0.00 1.01 0.00 0.00 42.92 41.90 2kwp s ASP 50 CO 0.10 -0.24 1.52 -0.09 0.21 0.00 0.00 175.17 176.66 2kwp h ARG 51 N 8.16 0.40 0.19 8.23 2.43 -1.95 2.26 114.38 134.10 2kwp h ARG 51 Ca -0.27 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 2kwp h ARG 51 Cb 1.10 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 2kwp h ARG 51 CO 0.59 0.57 -0.49 0.87 -1.51 0.00 0.00 179.97 180.00 2kwp h LYS 52 N 0.17 -0.72 -0.17 0.20 1.79 -1.96 -2.81 116.57 113.06 2kwp h LYS 52 Ca 0.06 0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.40 2kwp h LYS 52 Cb 0.39 0.16 0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2kwp h LYS 52 CO 0.01 -0.48 -0.60 0.66 -1.08 0.00 0.00 179.45 177.95 2kwp h SER 53 N -0.75 0.83 -0.21 0.86 4.64 -1.98 -3.48 113.55 113.45 2kwp h SER 53 Ca -0.02 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 2kwp h SER 53 Cb 0.73 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2kwp h SER 53 CO -0.23 1.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.63 2kwp n GLY 54 N 0.60 1.16 3.16 -0.77 0.00 0.76 -4.08 105.19 106.02 2kwp n GLY 54 Ca -0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 2kwp n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kwp s ASP 55 N -2.34 0.10 0.02 1.61 2.15 -0.82 0.14 116.67 117.53 2kwp s ASP 55 Ca 0.00 -0.45 0.05 0.00 0.43 0.00 0.00 52.55 52.58 2kwp s ASP 55 Cb 0.00 0.27 -0.02 0.00 -0.30 0.00 0.00 42.92 42.87 2kwp s ASP 55 CO 0.00 -0.55 -0.15 0.72 -0.17 0.00 0.00 175.17 175.02 2kwp s PHE 56 N -2.64 1.32 -0.10 -5.34 -0.12 -1.26 0.20 117.98 110.04 2kwp s PHE 56 Ca -0.05 -0.32 -0.01 0.00 -0.05 0.00 0.00 56.93 56.51 2kwp s PHE 56 Cb -0.01 -0.81 -0.03 0.00 -0.63 0.00 0.00 43.02 41.55 2kwp s PHE 56 CO -0.04 0.02 -0.06 0.34 -0.05 0.00 0.00 175.22 175.43 2kwp s ASP 57 N -0.86 4.70 0.11 1.98 2.15 0.64 -4.89 116.67 120.51 2kwp s ASP 57 Ca 0.04 -0.06 -0.30 0.00 0.43 0.00 0.00 52.55 52.66 2kwp s ASP 57 Cb -0.07 -1.39 -0.06 0.00 -0.30 0.00 0.00 42.92 41.10 2kwp s ASP 57 CO 0.01 0.30 1.00 -0.89 -0.17 0.00 0.00 175.17 175.42 2kwp s THR 58 N -0.42 4.38 0.12 1.71 2.01 -1.26 -1.69 115.64 120.49 2kwp s THR 58 Ca 0.06 1.95 0.06 0.00 0.31 0.00 0.00 61.69 64.08 2kwp s THR 58 Cb -0.12 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2kwp s THR 58 CO 0.02 0.29 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.73 2kwp s PHE 59 N 0.09 1.45 0.07 4.92 0.08 0.47 -1.95 117.98 123.11 2kwp s PHE 59 Ca 0.48 -0.53 0.09 0.00 0.12 0.00 0.00 56.93 57.09 2kwp s PHE 59 Cb -0.25 -0.76 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 2kwp s PHE 59 CO 0.31 0.16 -0.25 0.50 -0.10 0.00 0.00 175.22 175.83 2kwp s ARG 60 N -2.60 1.60 0.13 0.44 3.52 0.39 0.24 118.95 122.66 2kwp s ARG 60 Ca 0.09 -1.14 0.06 0.00 -0.13 0.00 0.00 55.73 54.61 2kwp s ARG 60 Cb -0.05 -1.84 -0.04 0.00 -1.56 0.00 0.00 34.95 31.45 2kwp s ARG 60 CO 0.03 0.46 -0.13 -0.98 -0.81 0.00 0.00 175.30 173.87 2kwp s ARG 61 N -1.46 1.04 0.05 5.12 1.04 -0.81 0.46 118.95 124.39 2kwp s ARG 61 Ca 0.11 -1.28 0.01 0.00 -1.04 0.00 0.00 55.73 53.52 2kwp s ARG 61 Cb -0.10 -0.87 -0.03 0.00 -2.04 0.00 0.00 34.95 31.91 2kwp s ARG 61 CO 0.03 0.16 -0.05 -1.58 -0.04 0.00 0.00 175.30 173.82 2kwp s TRP 62 N -2.35 0.56 -0.12 5.89 0.51 -0.30 -4.46 118.94 118.67 2kwp s TRP 62 Ca 0.11 -0.76 -0.06 0.00 -2.12 0.00 0.00 56.10 53.26 2kwp s TRP 62 Cb -0.04 -0.37 -0.04 0.00 -0.81 0.00 0.00 33.47 32.22 2kwp s TRP 62 CO 0.03 -0.21 0.12 -1.17 -0.51 0.00 0.00 176.95 175.21 2kwp s LEU 63 N -2.25 4.27 -0.04 2.99 2.96 -1.23 0.15 118.68 125.54 2kwp s LEU 63 Ca -0.02 0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 54.01 2kwp s LEU 63 Cb -0.02 -2.03 -0.06 0.00 0.50 0.00 0.00 46.19 44.58 2kwp s LEU 63 CO -0.04 0.40 1.62 -0.69 -1.32 0.00 0.00 176.35 176.32 2kwp s VAL 64 N -0.98 3.55 -0.05 1.68 1.01 0.66 0.84 120.40 127.11 2kwp s VAL 64 Ca 0.15 0.73 0.04 0.00 0.00 0.00 0.00 61.98 62.90 2kwp s VAL 64 Cb -0.12 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 2kwp s VAL 64 CO 0.04 -0.05 -0.17 0.68 0.00 0.00 0.00 175.10 175.59 2kwp s VAL 65 N 3.74 1.46 0.08 2.92 -7.23 0.35 -2.98 120.40 118.75 2kwp s VAL 65 Ca 0.72 -0.72 0.24 0.00 -1.81 0.00 0.00 61.98 60.41 2kwp s VAL 65 Cb -0.34 -1.27 0.23 0.00 0.56 0.00 0.00 36.38 35.57 2kwp s VAL 65 CO 0.29 0.42 1.79 -0.78 -0.31 0.00 0.00 175.10 176.51 2kwp h ASP 66 N 6.41 0.00 -1.25 4.85 3.58 -1.94 -1.69 116.42 126.38 2kwp h ASP 66 Ca -0.31 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 56.75 2kwp h ASP 66 Cb 1.18 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 41.85 2kwp h ASP 66 CO 0.48 0.23 -1.14 1.21 -2.88 0.00 0.00 179.24 177.14 2kwp n GLU 67 N -3.34 1.08 -0.99 0.28 4.07 -1.26 -4.79 120.64 115.69 2kwp n GLU 67 Ca 0.00 -3.19 -0.42 0.00 -0.06 0.00 0.00 57.16 53.50 2kwp n GLU 67 Cb 0.45 -1.33 -0.07 0.00 -0.06 0.00 0.00 31.44 30.44 2kwp n GLU 67 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2kwp n VAL 68 N 0.03 0.00 0.43 6.31 3.14 -1.24 -4.77 118.33 122.23 2kwp n VAL 68 Ca 0.13 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.63 2kwp n VAL 68 Cb 0.77 -0.32 0.08 0.00 -1.06 0.00 0.00 33.84 33.30 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 3.30 0.37 -3.30 1.55 -2.24 -1.26 -4.74 114.28 107.96 2kwp n THR 69 Ca 0.27 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 2kwp n THR 69 Cb -0.03 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.04 2kwp n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kwp s GLN 70 N -3.23 0.41 0.00 -0.78 -2.07 -1.26 -5.00 119.66 107.72 2kwp s GLN 70 Ca 0.03 0.32 0.12 0.00 -1.82 0.00 0.00 55.36 54.01 2kwp s GLN 70 Cb 0.13 -0.28 0.68 0.00 -1.09 0.00 0.00 33.01 32.44 2kwp s GLN 70 CO 0.76 -0.90 1.21 -0.35 -1.32 0.00 0.00 175.29 174.69 2kwp n PRO 71 N 5.36 0.30 0.24 9.60 -0.04 -1.26 -1.77 135.00 147.43 2kwp n PRO 71 Ca -0.00 0.07 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 2kwp n PRO 71 Cb 0.50 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.91 2kwp n PRO 71 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2kwp h THR 72 N 0.00 0.17 0.00 0.52 1.35 -1.91 -3.34 112.91 109.71 2kwp h THR 72 Ca 0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 2kwp h THR 72 Cb 0.04 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2kwp h THR 72 CO 0.00 0.08 -0.18 1.17 -0.25 0.00 0.00 175.52 176.34 2kwp n LYS 73 N -3.17 0.00 -3.82 4.72 4.81 -1.06 -3.79 118.16 115.85 2kwp n LYS 73 Ca 0.02 -0.47 -0.13 0.00 -0.87 0.00 0.00 58.31 56.86 2kwp n LYS 73 Cb 0.42 -0.29 -0.13 0.00 0.02 0.00 0.00 35.03 35.05 2kwp n LYS 73 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2kwp s GLU 74 N 0.00 0.12 -0.07 1.64 2.02 -0.73 -3.55 118.70 118.12 2kwp s GLU 74 Ca 0.00 0.18 0.03 0.00 0.02 0.00 0.00 54.97 55.20 2kwp s GLU 74 Cb 0.00 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.23 2kwp s GLU 74 CO 0.00 -0.04 -0.15 -1.50 0.02 0.00 0.00 175.26 173.59 2kwp s ILE 75 N 0.25 2.95 0.78 -1.63 2.07 0.25 -4.05 121.20 121.82 2kwp s ILE 75 Ca -0.02 -0.74 -0.12 0.00 -1.41 0.00 0.00 60.65 58.36 2kwp s ILE 75 Cb -0.03 -2.17 0.06 0.00 0.13 0.00 0.00 42.46 40.46 2kwp s ILE 75 CO -0.01 0.57 1.12 0.42 -1.91 0.00 0.00 174.94 175.13 2kwp s THR 76 N -0.40 2.93 0.08 4.00 -4.23 -1.26 0.13 115.64 116.89 2kwp s THR 76 Ca 0.04 0.34 -0.23 0.00 -1.18 0.00 0.00 61.69 60.66 2kwp s THR 76 Cb -0.12 -2.74 -0.15 0.00 1.34 0.00 0.00 72.50 70.82 2kwp s THR 76 CO 0.02 -0.36 1.71 0.25 -0.54 0.00 0.00 174.62 175.71 2kwp h LEU 77 N -0.98 -0.01 -0.36 4.79 5.85 -1.61 -0.80 115.31 122.19 2kwp h LEU 77 Ca -0.44 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.32 2kwp h LEU 77 Cb 1.25 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 2kwp h LEU 77 CO 0.50 0.02 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.41 2kwp h GLU 78 N -0.04 -0.04 -0.55 1.25 4.57 -1.92 0.83 114.58 118.69 2kwp h GLU 78 Ca -0.00 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2kwp h GLU 78 Cb 0.04 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 2kwp h GLU 78 CO 0.00 -0.03 0.28 0.00 -1.18 0.00 0.00 179.01 178.08 2kwp h ALA 79 N 1.29 0.71 -0.48 2.92 0.00 -1.85 -1.58 119.26 120.28 2kwp h ALA 79 Ca 0.18 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2kwp h ALA 79 Cb 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2kwp h ALA 79 CO -0.39 -0.07 0.25 0.00 0.00 0.00 0.00 179.25 179.03 2kwp h ALA 80 N 1.30 0.61 -0.82 0.00 0.00 0.36 -1.42 119.26 119.29 2kwp h ALA 80 Ca 0.25 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.28 2kwp h ALA 80 Cb 0.17 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2kwp h ALA 80 CO -0.18 -0.10 0.46 0.00 0.00 0.00 0.00 179.25 179.43 2kwp h ARG 81 N 0.49 0.73 -0.45 0.00 -0.00 0.04 1.07 114.38 116.26 2kwp h ARG 81 Ca 0.21 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.63 2kwp h ARG 81 Cb 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 29.97 29.89 2kwp h ARG 81 CO -0.14 0.48 0.23 1.88 0.00 0.00 0.00 179.97 182.42 2kwp h TYR 82 N 0.75 0.62 -0.04 3.04 0.05 -0.59 -0.84 116.97 119.97 2kwp h TYR 82 Ca 0.41 -0.02 -0.16 0.00 0.05 0.00 0.00 58.73 59.01 2kwp h TYR 82 Cb 0.42 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 2kwp h TYR 82 CO -0.07 0.48 -0.68 0.93 -1.05 0.00 0.00 178.16 177.77 2kwp h GLU 83 N 0.58 0.17 -0.48 4.88 4.39 -0.41 -3.43 114.58 120.29 2kwp h GLU 83 Ca 0.16 -0.14 0.15 0.00 0.34 0.00 0.00 59.36 59.87 2kwp h GLU 83 Cb 0.08 0.03 -0.19 0.00 -0.10 0.00 0.00 28.75 28.56 2kwp h GLU 83 CO -0.02 0.79 -0.13 -0.51 -1.16 0.00 0.00 179.01 177.97 2kwp s ASP 84 N -6.89 -0.78 0.60 1.42 1.01 0.36 -4.99 116.67 107.40 2kwp s ASP 84 Ca -0.03 0.05 0.28 0.00 0.71 0.00 0.00 52.55 53.56 2kwp s ASP 84 Cb 0.12 1.44 1.38 0.00 1.01 0.00 0.00 42.92 46.87 2kwp s ASP 84 CO 0.80 -0.14 1.78 -0.08 0.21 0.00 0.00 175.17 177.75 2kwp h GLU 85 N 7.34 0.00 0.00 8.23 4.81 -1.31 1.04 114.58 134.70 2kwp h GLU 85 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2kwp h GLU 85 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2kwp h GLU 85 CO -0.02 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.13 2kwp n SER 86 N -3.50 0.00 -4.79 1.04 3.41 -1.26 -4.69 113.62 103.82 2kwp n SER 86 Ca 0.09 0.24 -0.37 0.00 -0.26 0.00 0.00 58.87 58.57 2kwp n SER 86 Cb 0.78 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.72 4.37 0.00 1.04 1.43 0.36 -5.06 118.68 118.10 2kwp s LEU 87 Ca 0.10 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 2kwp s LEU 87 Cb 0.08 -3.83 -0.00 0.00 0.03 0.00 0.00 46.19 42.48 2kwp s LEU 87 CO 0.21 -0.01 0.01 -0.46 0.23 0.00 0.00 176.35 176.32 2kwp n ASN 88 N 0.70 0.10 -4.69 2.29 0.23 -1.26 -4.68 115.26 107.95 2kwp n ASN 88 Ca 0.00 -1.07 -0.42 0.00 -0.53 0.00 0.00 54.58 52.56 2kwp n ASN 88 Cb 0.50 0.05 -0.03 0.00 -2.08 0.00 0.00 39.78 38.22 2kwp n ASN 88 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kwp s LEU 89 N 0.00 4.34 0.00 -4.53 2.01 -1.26 -1.97 118.68 117.27 2kwp s LEU 89 Ca 0.01 2.30 0.00 0.00 0.01 0.00 0.00 54.13 56.45 2kwp s LEU 89 Cb 0.00 -3.56 0.00 0.00 0.01 0.00 0.00 46.19 42.64 2kwp s LEU 89 CO 0.01 -0.79 0.00 0.61 1.01 0.00 0.00 176.35 177.19 2kwp n GLY 90 N 3.79 0.54 3.95 -3.19 0.00 -1.16 -5.00 105.19 104.13 2kwp n GLY 90 Ca 0.14 0.00 -0.24 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 -2.90 4.73 -0.06 1.61 1.01 -0.83 -4.79 116.67 115.44 2kwp s ASP 91 Ca 0.00 0.16 0.04 0.00 0.71 0.00 0.00 52.55 53.47 2kwp s ASP 91 Cb 0.00 -0.78 -0.00 0.00 1.01 0.00 0.00 42.92 43.15 2kwp s ASP 91 CO 0.00 -1.61 -0.19 -0.31 0.21 0.00 0.00 175.17 173.27 2kwp s TYR 92 N -3.14 1.99 0.16 4.23 2.02 -1.26 -0.25 117.35 121.10 2kwp s TYR 92 Ca 0.62 -0.65 -0.03 0.00 -0.37 0.00 0.00 57.07 56.63 2kwp s TYR 92 Cb -0.09 -1.34 -0.05 0.00 -0.40 0.00 0.00 41.96 40.08 2kwp s TYR 92 CO 0.44 -0.24 0.38 0.08 -1.57 0.00 0.00 175.55 174.63 2kwp s VAL 93 N 0.13 5.18 0.03 0.71 1.01 0.41 -4.85 120.40 123.02 2kwp s VAL 93 Ca -0.08 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2kwp s VAL 93 Cb -0.14 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2kwp s VAL 93 CO 0.04 -0.02 -0.23 -0.70 0.00 0.00 0.00 175.10 174.19 2kwp s GLU 94 N -2.84 1.99 -0.03 2.72 2.12 -1.26 -1.15 118.70 120.25 2kwp s GLU 94 Ca 0.40 -1.01 -0.19 0.00 0.36 0.00 0.00 54.97 54.54 2kwp s GLU 94 Cb -0.12 -2.09 0.03 0.00 0.26 0.00 0.00 34.13 32.22 2kwp s GLU 94 CO 0.26 0.54 0.40 0.34 -0.54 0.00 0.00 175.26 176.26 2kwp s ASP 95 N -1.17 -0.31 -0.14 -1.70 2.15 0.17 -4.97 116.67 110.71 2kwp s ASP 95 Ca 0.12 0.25 -0.13 0.00 0.43 0.00 0.00 52.55 53.23 2kwp s ASP 95 Cb -0.10 0.38 -0.05 0.00 -0.30 0.00 0.00 42.92 42.85 2kwp s ASP 95 CO 0.02 -0.48 0.29 -1.58 -0.17 0.00 0.00 175.17 173.26 2kwp s GLN 96 N -1.25 4.13 0.26 4.34 0.74 -1.26 0.15 119.66 126.76 2kwp s GLN 96 Ca -0.13 0.11 0.09 0.00 0.05 0.00 0.00 55.36 55.48 2kwp s GLN 96 Cb -0.04 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.64 2kwp s GLN 96 CO 0.05 0.35 -0.13 0.96 -0.55 0.00 0.00 175.29 175.97 2kwp s ILE 97 N 0.13 1.94 0.54 -2.34 -4.36 -0.82 -4.84 121.20 111.45 2kwp s ILE 97 Ca 0.17 -2.24 -0.18 0.00 -0.26 0.00 0.00 60.65 58.15 2kwp s ILE 97 Cb -0.13 -2.27 -0.12 0.00 1.25 0.00 0.00 42.46 41.19 2kwp s ILE 97 CO 0.05 -0.43 0.19 -0.62 0.24 0.00 0.00 174.94 174.37 2kwp n GLU 98 N -0.53 0.25 -4.39 0.37 1.02 -1.26 -4.29 120.64 111.81 2kwp n GLU 98 Ca -0.06 0.10 -0.20 0.00 -0.02 0.00 0.00 57.16 56.97 2kwp n GLU 98 Cb 0.61 -1.34 -0.10 0.00 -0.02 0.00 0.00 31.44 30.59 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kwp s SER 99 N -1.09 2.81 -0.14 1.62 1.04 -1.26 -4.58 113.70 112.10 2kwp s SER 99 Ca 0.63 -1.06 -0.07 0.00 0.48 0.00 0.00 55.95 55.93 2kwp s SER 99 Cb -0.47 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.43 2kwp s SER 99 CO 0.60 -0.17 0.11 0.54 0.98 0.00 0.00 173.24 175.30 2kwp s VAL 100 N -2.89 5.21 0.26 5.02 0.11 -1.26 -5.00 120.40 121.85 2kwp s VAL 100 Ca 0.25 0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 59.11 2kwp s VAL 100 Cb -0.01 -3.30 -0.10 0.00 -1.53 0.00 0.00 36.38 31.45 2kwp s VAL 100 CO 0.09 0.55 1.32 -0.89 -3.33 0.00 0.00 175.10 172.85 2kwp s THR 101 N -0.48 2.94 0.36 5.04 2.01 -1.26 -4.90 115.64 119.36 2kwp s THR 101 Ca 0.11 0.84 0.03 0.00 0.31 0.00 0.00 61.69 62.98 2kwp s THR 101 Cb -0.12 -3.54 0.26 0.00 0.01 0.00 0.00 72.50 69.11 2kwp s THR 101 CO 0.02 0.16 2.01 0.15 -0.69 0.00 0.00 174.62 176.26 2kwp h PHE 102 N 4.51 0.75 -0.40 4.92 3.57 -1.96 -0.99 116.94 127.33 2kwp h PHE 102 Ca -0.47 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.12 2kwp h PHE 102 Cb 1.22 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2kwp h PHE 102 CO 0.59 0.49 0.28 0.22 -2.23 0.00 0.00 178.31 177.66 2kwp h ASP 103 N 0.80 0.21 -0.96 0.41 3.58 -1.99 -0.73 116.42 117.73 2kwp h ASP 103 Ca 0.21 0.00 0.23 0.00 0.42 0.00 0.00 57.03 57.89 2kwp h ASP 103 Cb -0.06 -0.04 -0.08 0.00 1.72 0.00 0.00 39.33 40.87 2kwp h ASP 103 CO -0.04 0.14 0.63 -0.09 -2.88 0.00 0.00 179.24 177.00 2kwp h ARG 104 N 0.24 0.39 -6.31 0.28 2.43 -1.55 -3.40 114.38 106.47 2kwp h ARG 104 Ca 0.18 -0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.72 2kwp h ARG 104 Cb 0.41 -0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 29.73 2kwp h ARG 104 CO -0.03 0.26 -0.75 0.96 -1.51 0.00 0.00 179.97 178.90 2kwp s ILE 105 N -5.45 2.70 0.58 1.20 -4.36 -0.28 -5.11 121.20 110.48 2kwp s ILE 105 Ca -0.08 -2.18 -0.05 0.00 -0.26 0.00 0.00 60.65 58.08 2kwp s ILE 105 Cb 0.24 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 41.57 2kwp s ILE 105 CO 0.79 -0.31 0.88 0.42 0.24 0.00 0.00 174.94 176.95 2kwp s THR 106 N -2.24 3.51 0.10 8.37 -4.23 -1.26 -4.91 115.64 114.98 2kwp s THR 106 Ca 0.28 -0.12 0.27 0.00 -1.18 0.00 0.00 61.69 60.94 2kwp s THR 106 Cb -0.06 -3.39 0.29 0.00 1.34 0.00 0.00 72.50 70.68 2kwp s THR 106 CO 0.15 -0.38 1.88 0.71 -0.54 0.00 0.00 174.62 176.44 2kwp h THR 107 N -0.13 0.34 -0.85 3.99 1.35 -1.97 -2.96 112.91 112.68 2kwp h THR 107 Ca -0.45 -0.90 0.04 0.00 -0.55 0.00 0.00 66.41 64.55 2kwp h THR 107 Cb 1.26 1.68 -0.05 0.00 -1.73 0.00 0.00 68.15 69.31 2kwp h THR 107 CO 0.60 0.13 0.56 1.56 -0.25 0.00 0.00 175.52 178.12 2kwp h GLN 108 N 0.00 1.02 -0.79 4.72 4.20 -1.99 -0.75 115.11 121.52 2kwp h GLN 108 Ca -0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2kwp h GLN 108 Cb 0.67 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 2kwp h GLN 108 CO 0.02 0.67 0.42 1.15 -0.67 0.00 0.00 178.83 180.42 2kwp h THR 109 N 1.05 1.24 0.00 -0.54 2.02 -1.92 -1.75 112.91 113.01 2kwp h THR 109 Ca 0.34 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 2kwp h THR 109 Cb 0.05 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2kwp h THR 109 CO -0.10 0.27 -0.39 0.00 0.37 0.00 0.00 175.52 175.67 2kwp h ALA 110 N 1.22 1.03 0.00 6.16 0.00 -1.42 -2.81 119.26 123.43 2kwp h ALA 110 Ca 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2kwp h ALA 110 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kwp h ALA 110 CO -0.04 0.48 -0.08 -0.22 0.00 0.00 0.00 179.25 179.39 2kwp h LYS 111 N 0.00 0.00 -0.22 0.00 3.64 -0.24 -0.92 116.57 118.83 2kwp h LYS 111 Ca -0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2kwp h LYS 111 Cb 0.88 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2kwp h LYS 111 CO 0.05 0.08 -0.24 1.96 -2.27 0.00 0.00 179.45 179.04 2kwp h GLN 112 N 0.00 0.54 -0.27 1.90 1.08 -1.38 -2.56 115.11 114.42 2kwp h GLN 112 Ca -0.00 -0.29 -0.12 0.00 -1.45 0.00 0.00 58.65 56.79 2kwp h GLN 112 Cb 0.15 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2kwp h GLN 112 CO 0.01 0.88 -0.31 -0.24 -0.95 0.00 0.00 178.83 178.22 2kwp h VAL 113 N 0.23 1.28 -0.80 -0.54 3.04 -1.50 -2.75 116.25 115.21 2kwp h VAL 113 Ca 0.03 -1.42 -0.03 0.00 -1.01 0.00 0.00 66.70 64.27 2kwp h VAL 113 Cb 0.80 1.42 -0.04 0.00 -2.01 0.00 0.00 31.29 31.45 2kwp h VAL 113 CO 0.06 0.45 0.38 0.40 -1.01 0.00 0.00 177.57 177.85 2kwp h ILE 114 N 0.49 1.25 -0.48 3.17 2.04 -1.12 -2.04 117.51 120.82 2kwp h ILE 114 Ca 0.06 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 2kwp h ILE 114 Cb 0.79 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2kwp h ILE 114 CO 0.06 0.30 0.06 0.58 0.00 0.00 0.00 178.15 179.15 2kwp h VAL 115 N 1.14 1.25 -0.61 1.67 2.07 -1.23 -1.76 116.25 118.78 2kwp h VAL 115 Ca 0.28 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.87 2kwp h VAL 115 Cb 0.11 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2kwp h VAL 115 CO -0.03 0.33 0.39 1.56 0.02 0.00 0.00 177.57 179.84 2kwp h GLN 116 N 0.66 0.76 -0.60 1.57 4.20 -1.18 0.73 115.11 121.26 2kwp h GLN 116 Ca 0.14 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 2kwp h GLN 116 Cb 0.41 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2kwp h GLN 116 CO 0.01 0.50 0.23 -0.22 -0.67 0.00 0.00 178.83 178.69 2kwp h LYS 117 N 0.78 0.90 -0.09 1.46 1.63 -1.18 -2.17 116.57 117.91 2kwp h LYS 117 Ca 0.23 -0.17 -0.17 0.00 -0.85 0.00 0.00 60.65 59.69 2kwp h LYS 117 Cb -0.04 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.43 2kwp h LYS 117 CO -0.07 0.77 -0.68 0.28 -3.45 0.00 0.00 179.45 176.30 2kwp h VAL 118 N 0.83 1.38 -0.83 2.00 2.07 -0.77 -2.95 116.25 117.98 2kwp h VAL 118 Ca 0.20 -2.07 0.01 0.00 0.82 0.00 0.00 66.70 65.66 2kwp h VAL 118 Cb 0.21 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 2kwp h VAL 118 CO -0.01 0.62 0.55 -0.09 0.02 0.00 0.00 177.57 178.66 2kwp h ARG 119 N 0.27 1.08 -0.16 1.57 2.43 0.81 -1.52 114.38 118.86 2kwp h ARG 119 Ca -0.02 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 2kwp h ARG 119 Cb 1.24 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2kwp h ARG 119 CO 0.12 0.72 -0.29 1.49 -1.51 0.00 0.00 179.97 180.49 2kwp h GLU 120 N 1.12 0.31 0.00 0.20 4.81 -1.34 -2.40 114.58 117.28 2kwp h GLU 120 Ca 0.31 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2kwp h GLU 120 Cb -0.12 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2kwp h GLU 120 CO -0.07 0.58 -0.25 0.00 -0.73 0.00 0.00 179.01 178.54 2kwp h ALA 121 N 1.42 1.50 -0.77 2.92 0.00 -1.12 -2.41 119.26 120.80 2kwp h ALA 121 Ca 0.04 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.82 2kwp h ALA 121 Cb 0.66 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2kwp h ALA 121 CO 0.05 0.31 0.50 1.49 0.00 0.00 0.00 179.25 181.61 2kwp h GLU 122 N 0.00 0.65 -0.90 0.00 4.81 -0.89 -0.22 114.58 118.02 2kwp h GLU 122 Ca -0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2kwp h GLU 122 Cb 0.47 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 2kwp h GLU 122 CO 0.03 0.43 0.59 0.00 -0.73 0.00 0.00 179.01 179.33 2kwp h ARG 123 N 0.67 1.04 -1.81 1.92 3.08 -1.54 -3.44 114.38 114.30 2kwp h ARG 123 Ca 0.36 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.38 2kwp h ARG 123 Cb 0.49 -0.24 -0.21 0.00 0.08 0.00 0.00 29.97 30.10 2kwp h ARG 123 CO -0.13 0.69 0.41 0.00 -1.07 0.00 0.00 179.97 179.87 2kwp s ALA 124 N -5.93 -1.86 0.04 0.04 0.00 -0.09 -5.17 121.76 108.78 2kwp s ALA 124 Ca -0.12 1.42 0.07 0.00 0.00 0.00 0.00 51.96 53.33 2kwp s ALA 124 Cb 0.19 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 2kwp s ALA 124 CO 0.80 -0.37 -0.19 -1.64 0.00 0.00 0.00 175.76 174.36 2kwp s MET 125 N -1.38 1.28 0.34 0.00 -1.94 -1.25 -4.59 119.30 111.77 2kwp s MET 125 Ca -0.04 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.09 2kwp s MET 125 Cb -0.00 -1.36 0.61 0.00 2.01 0.00 0.00 34.83 36.09 2kwp s MET 125 CO 0.03 0.35 1.98 -0.07 -0.01 0.00 0.00 175.02 177.30 2kwp h LEU 126 N 4.97 0.71 -6.95 -0.03 3.38 -2.02 -3.32 115.31 112.04 2kwp h LEU 126 Ca -0.41 -0.04 -0.61 0.00 0.09 0.00 0.00 57.88 56.91 2kwp h LEU 126 Cb 1.16 -0.18 -0.40 0.00 0.09 0.00 0.00 40.66 41.33 2kwp h LEU 126 CO 0.44 0.55 -0.71 0.68 0.09 0.00 0.00 178.44 179.49 2kwp s VAL 127 N -5.60 1.83 0.40 1.22 -7.23 -1.26 -5.10 120.40 104.66 2kwp s VAL 127 Ca -0.10 -3.22 -0.25 0.00 -1.81 0.00 0.00 61.98 56.60 2kwp s VAL 127 Cb 0.17 -2.24 -0.08 0.00 0.56 0.00 0.00 36.38 34.78 2kwp s VAL 127 CO 0.77 -0.98 1.19 -2.16 -0.31 0.00 0.00 175.10 173.61 2kwp s PRO 128 N -0.36 4.06 0.00 4.82 0.04 -1.25 -5.26 135.00 137.05 2kwp s PRO 128 Ca 0.23 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2kwp s PRO 128 Cb -0.13 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2kwp s PRO 128 CO -0.09 -0.33 0.00 -2.13 0.04 0.00 0.00 177.00 174.49