#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 5.29 0.32 7.83 0.01 0.56 -4.91 114.94 124.04 2kwp s ASN 2 Ca 0.00 -0.47 0.11 0.00 -0.71 0.00 0.00 52.86 51.79 2kwp s ASN 2 Cb 0.00 -1.94 0.53 0.00 0.41 0.00 0.00 41.25 40.25 2kwp s ASN 2 CO 0.00 -0.14 1.72 0.11 -1.51 0.00 0.00 177.10 177.28 2kwp h LYS 3 N 8.28 0.03 -0.73 -0.60 1.57 -1.87 -2.87 116.57 120.38 2kwp h LYS 3 Ca -0.34 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 2kwp h LYS 3 Cb 1.15 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 2kwp h LYS 3 CO 0.60 0.51 0.42 0.93 -0.57 0.00 0.00 179.45 181.34 2kwp h GLU 4 N 0.03 1.00 -0.65 3.15 4.39 -1.92 -0.80 114.58 119.77 2kwp h GLU 4 Ca -0.00 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2kwp h GLU 4 Cb 0.87 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 2kwp h GLU 4 CO 0.06 0.72 0.41 0.82 -1.16 0.00 0.00 179.01 179.86 2kwp h ILE 5 N 1.01 1.18 -0.21 3.13 1.08 -1.76 0.10 117.51 122.05 2kwp h ILE 5 Ca 0.26 -0.38 -0.14 0.00 -0.39 0.00 0.00 64.86 64.21 2kwp h ILE 5 Cb -0.01 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.00 2kwp h ILE 5 CO -0.05 0.18 -0.46 -0.07 -0.69 0.00 0.00 178.15 177.06 2kwp h LEU 6 N 0.88 0.58 -0.81 1.44 3.38 -1.45 -2.13 115.31 117.21 2kwp h LEU 6 Ca 0.24 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2kwp h LEU 6 Cb -0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2kwp h LEU 6 CO -0.05 0.96 -0.41 0.00 0.09 0.00 0.00 178.44 179.03 2kwp h ALA 7 N 1.06 0.98 -0.25 1.53 0.00 -0.61 -1.23 119.26 120.74 2kwp h ALA 7 Ca 0.03 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 2kwp h ALA 7 Cb 0.98 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2kwp h ALA 7 CO 0.09 0.62 -0.62 0.28 0.00 0.00 0.00 179.25 179.62 2kwp h VAL 8 N 0.33 1.27 -0.28 0.00 2.07 -0.64 -2.57 116.25 116.43 2kwp h VAL 8 Ca 0.03 -1.80 -0.15 0.00 0.82 0.00 0.00 66.70 65.60 2kwp h VAL 8 Cb 0.86 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2kwp h VAL 8 CO 0.07 0.58 -0.42 0.58 0.02 0.00 0.00 177.57 178.40 2kwp h VAL 9 N 0.62 1.29 -0.17 2.57 2.07 -1.27 -2.75 116.25 118.62 2kwp h VAL 9 Ca -0.01 -1.61 -0.07 0.00 0.82 0.00 0.00 66.70 65.84 2kwp h VAL 9 Cb 1.23 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2kwp h VAL 9 CO 0.13 0.52 -0.19 -0.33 0.02 0.00 0.00 177.57 177.72 2kwp h GLU 10 N 0.56 0.28 -0.03 1.57 5.08 -1.20 -1.17 114.58 119.68 2kwp h GLU 10 Ca 0.04 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 2kwp h GLU 10 Cb 0.97 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2kwp h GLU 10 CO 0.09 0.48 -0.59 0.00 -1.00 0.00 0.00 179.01 177.98 2kwp h ALA 11 N 1.54 0.95 0.00 3.43 0.00 -1.25 -2.81 119.26 121.13 2kwp h ALA 11 Ca 0.05 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 2kwp h ALA 11 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2kwp h ALA 11 CO 0.03 0.73 -0.43 0.28 0.00 0.00 0.00 179.25 179.86 2kwp h VAL 12 N 0.07 0.66 -0.05 0.00 2.07 -1.13 -2.94 116.25 114.93 2kwp h VAL 12 Ca -0.01 -1.94 -0.18 0.00 0.82 0.00 0.00 66.70 65.39 2kwp h VAL 12 Cb 1.07 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 2kwp h VAL 12 CO 0.08 0.38 -0.74 0.28 0.02 0.00 0.00 177.57 177.59 2kwp h SER 13 N 0.00 0.36 0.31 0.57 0.02 -1.01 -0.71 113.55 113.09 2kwp h SER 13 Ca -0.01 -0.24 -0.26 0.00 -0.84 0.00 0.00 61.79 60.43 2kwp h SER 13 Cb 1.31 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.75 2kwp h SER 13 CO 0.05 0.98 -1.12 -1.13 -1.14 0.00 0.00 176.83 174.47 2kwp h ASN 14 N 0.20 0.65 -0.11 3.07 -0.73 -1.53 1.03 115.58 118.16 2kwp h ASN 14 Ca -0.03 -0.58 -0.16 0.00 1.87 0.00 0.00 56.30 57.39 2kwp h ASN 14 Cb 1.32 -0.20 0.01 0.00 0.27 0.00 0.00 38.32 39.71 2kwp h ASN 14 CO 0.12 1.40 -0.57 -0.33 -0.37 0.00 0.00 177.43 177.68 2kwp h GLU 15 N 0.22 0.58 -0.02 6.67 5.08 -1.52 -3.21 114.58 122.38 2kwp h GLU 15 Ca -0.13 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2kwp h GLU 15 Cb 1.78 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.14 2kwp h GLU 15 CO 0.20 1.10 -0.21 1.63 -1.00 0.00 0.00 179.01 180.73 2kwp n LYS 16 N -4.16 1.52 -2.09 2.33 4.76 -0.27 -4.92 118.16 115.32 2kwp n LYS 16 Ca -0.08 -1.14 -0.05 0.00 -2.87 0.00 0.00 58.31 54.17 2kwp n LYS 16 Cb 0.64 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.34 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 0.25 -0.67 -2.02 7.82 0.00 0.35 -4.89 120.51 121.36 2kwp n ALA 17 Ca 0.13 0.05 -0.19 0.00 0.00 0.00 0.00 53.44 53.44 2kwp n ALA 17 Cb 0.46 -0.85 0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 -4.52 3.37 0.24 0.00 1.02 -1.15 -5.00 118.68 112.64 2kwp s LEU 18 Ca 0.00 -0.57 -0.30 0.00 0.02 0.00 0.00 54.13 53.28 2kwp s LEU 18 Cb 0.00 -2.21 -0.09 0.00 0.02 0.00 0.00 46.19 43.91 2kwp s LEU 18 CO 0.00 -1.08 1.29 -2.16 0.02 0.00 0.00 176.35 174.42 2kwp s PRO 19 N -4.54 4.41 0.27 1.29 0.04 -1.26 -4.71 135.00 130.50 2kwp s PRO 19 Ca 0.59 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2kwp s PRO 19 Cb -0.08 -3.16 0.54 0.00 0.04 0.00 0.00 34.50 31.84 2kwp s PRO 19 CO 0.36 -0.19 1.81 0.00 0.04 0.00 0.00 177.00 179.03 2kwp h ARG 20 N 4.74 0.84 0.10 4.56 3.08 -1.96 -1.92 114.38 123.82 2kwp h ARG 20 Ca -0.46 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.56 2kwp h ARG 20 Cb 1.22 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 31.03 2kwp h ARG 20 CO 0.73 0.56 -0.40 1.49 -1.07 0.00 0.00 179.97 181.28 2kwp h GLU 21 N 0.87 -0.60 -0.52 0.04 4.81 -2.00 -0.24 114.58 116.95 2kwp h GLU 21 Ca 0.48 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.86 2kwp h GLU 21 Cb 0.55 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 29.97 2kwp h GLU 21 CO -0.29 -0.40 -0.03 -0.22 -0.73 0.00 0.00 179.01 177.34 2kwp h LYS 22 N -0.62 0.08 -0.32 1.92 1.63 -1.75 -0.78 116.57 116.73 2kwp h LYS 22 Ca 0.03 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.89 2kwp h LYS 22 Cb 0.66 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.21 2kwp h LYS 22 CO -0.25 0.06 -0.10 0.82 -3.45 0.00 0.00 179.45 176.52 2kwp h ILE 23 N 0.09 0.63 -0.89 2.00 2.04 -0.83 0.90 117.51 121.44 2kwp h ILE 23 Ca 0.26 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.30 2kwp h ILE 23 Cb 0.40 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 2kwp h ILE 23 CO -0.46 0.00 0.58 -0.26 0.00 0.00 0.00 178.15 178.02 2kwp h PHE 24 N -0.04 0.63 -0.62 1.37 0.04 0.37 0.11 116.94 118.81 2kwp h PHE 24 Ca 0.16 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.99 2kwp h PHE 24 Cb 0.27 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.18 2kwp h PHE 24 CO -0.32 0.19 0.35 0.93 -0.60 0.00 0.00 178.31 178.86 2kwp h GLU 25 N 0.49 0.65 -0.32 1.51 5.08 -0.11 0.28 114.58 122.16 2kwp h GLU 25 Ca 0.46 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.65 2kwp h GLU 25 Cb 1.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2kwp h GLU 25 CO -0.19 0.43 -0.35 0.00 -1.00 0.00 0.00 179.01 177.90 2kwp h ALA 26 N 1.30 0.79 -0.40 3.43 0.00 -0.65 -2.17 119.26 121.57 2kwp h ALA 26 Ca 0.27 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2kwp h ALA 26 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kwp h ALA 26 CO -0.15 0.65 0.22 1.25 0.00 0.00 0.00 179.25 181.22 2kwp h LEU 27 N 0.60 0.50 -0.67 0.00 5.85 -0.06 -2.04 115.31 119.50 2kwp h LEU 27 Ca 0.06 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2kwp h LEU 27 Cb 0.87 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2kwp h LEU 27 CO 0.08 0.45 0.40 -0.33 -0.34 0.00 0.00 178.44 178.70 2kwp h GLU 28 N 0.52 0.91 -0.87 1.25 5.08 -0.34 -0.67 114.58 120.46 2kwp h GLU 28 Ca 0.14 -0.09 0.09 0.00 -1.00 0.00 0.00 59.36 58.50 2kwp h GLU 28 Cb 0.06 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 2kwp h GLU 28 CO -0.02 0.66 0.56 0.77 -1.00 0.00 0.00 179.01 179.98 2kwp h SER 29 N 0.91 0.78 -0.17 1.42 0.02 -0.93 0.23 113.55 115.81 2kwp h SER 29 Ca 0.24 0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 60.99 2kwp h SER 29 Cb -0.02 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.39 2kwp h SER 29 CO -0.04 0.47 -0.73 0.00 -1.14 0.00 0.00 176.83 175.39 2kwp h ALA 30 N 1.56 0.32 -0.29 3.77 0.00 -0.62 -0.23 119.26 123.77 2kwp h ALA 30 Ca 0.39 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2kwp h ALA 30 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kwp h ALA 30 CO -0.16 0.66 0.01 -0.07 0.00 0.00 0.00 179.25 179.69 2kwp h LEU 31 N 0.54 0.48 0.14 0.00 -0.00 -0.06 -1.92 115.31 114.49 2kwp h LEU 31 Ca -0.04 -0.30 -0.01 0.00 -0.00 0.00 0.00 57.88 57.54 2kwp h LEU 31 Cb 1.36 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 2kwp h LEU 31 CO 0.15 0.66 -0.07 0.00 -0.00 0.00 0.00 178.44 179.18 2kwp h ALA 32 N 0.84 -0.19 -0.83 1.53 0.00 -0.63 0.16 119.26 120.14 2kwp h ALA 32 Ca 0.08 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.00 2kwp h ALA 32 Cb 0.40 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.14 2kwp h ALA 32 CO 0.01 -0.41 0.23 1.15 0.00 0.00 0.00 179.25 180.23 2kwp h THR 33 N -0.58 0.42 -0.03 0.00 2.02 -1.04 0.46 112.91 114.16 2kwp h THR 33 Ca -0.02 -0.09 -0.18 0.00 0.77 0.00 0.00 66.41 66.89 2kwp h THR 33 Cb 0.45 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2kwp h THR 33 CO 0.03 0.05 -0.78 0.00 0.37 0.00 0.00 175.52 175.19 2kwp h ALA 34 N 1.70 0.62 0.09 6.16 0.00 -1.24 -3.03 119.26 123.56 2kwp h ALA 34 Ca 0.50 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kwp h ALA 34 Cb 0.93 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2kwp h ALA 34 CO -0.58 0.84 -0.04 1.15 0.00 0.00 0.00 179.25 180.62 2kwp h THR 35 N 0.16 0.93 -0.06 0.00 2.02 0.28 -1.84 112.91 114.40 2kwp h THR 35 Ca -0.03 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.11 2kwp h THR 35 Cb 1.37 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2kwp h THR 35 CO 0.12 0.01 0.05 0.11 0.37 0.00 0.00 175.52 176.18 2kwp h LYS 36 N -0.14 0.01 -0.97 6.66 6.56 -0.94 -1.27 116.57 126.47 2kwp h LYS 36 Ca -0.01 -0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.62 2kwp h LYS 36 Cb 0.11 -0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.71 2kwp h LYS 36 CO 0.02 0.01 0.63 0.87 -2.06 0.00 0.00 179.45 178.92 2kwp h LYS 37 N 0.01 1.16 -0.81 3.15 1.57 -1.21 0.21 116.57 120.65 2kwp h LYS 37 Ca 0.03 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2kwp h LYS 37 Cb 0.11 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 2kwp h LYS 37 CO -0.00 0.77 0.53 0.87 -0.57 0.00 0.00 179.45 181.05 2kwp h LYS 38 N 1.20 1.04 -0.03 3.15 1.57 -1.10 -2.20 116.57 120.20 2kwp h LYS 38 Ca 0.39 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.91 2kwp h LYS 38 Cb 0.06 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2kwp h LYS 38 CO -0.13 0.69 -0.83 1.88 -0.57 0.00 0.00 179.45 180.48 2kwp h TYR 39 N 1.07 0.46 -0.29 -1.35 0.05 -1.30 -3.46 116.97 112.15 2kwp h TYR 39 Ca 0.31 -0.23 -0.12 0.00 0.05 0.00 0.00 58.73 58.73 2kwp h TYR 39 Cb -0.07 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 37.56 2kwp h TYR 39 CO -0.02 1.02 -0.11 0.39 -1.05 0.00 0.00 178.16 178.38 2kwp n GLU 40 N -3.75 -1.59 -0.69 4.88 1.02 0.65 -4.79 120.64 116.37 2kwp n GLU 40 Ca -0.05 0.67 0.05 0.00 -0.02 0.00 0.00 57.16 57.81 2kwp n GLU 40 Cb 0.77 -4.97 0.30 0.00 -0.02 0.00 0.00 31.44 27.52 2kwp n GLU 40 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2kwp n GLN 41 N -0.48 3.44 -4.03 3.49 6.02 -1.26 -4.95 117.38 119.60 2kwp n GLN 41 Ca -0.06 -3.00 -0.33 0.00 -0.01 0.00 0.00 57.00 53.60 2kwp n GLN 41 Cb 0.49 -2.01 -0.02 0.00 1.02 0.00 0.00 30.24 29.72 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 -0.24 -1.60 -3.61 -1.09 1.02 -1.26 -4.78 120.64 109.08 2kwp n GLU 42 Ca 0.27 0.25 -0.34 0.00 -0.02 0.00 0.00 57.16 57.33 2kwp n GLU 42 Cb 1.07 -3.74 -0.05 0.00 -0.02 0.00 0.00 31.44 28.69 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 -3.89 5.12 -0.28 -3.67 -4.36 -1.26 -4.52 121.20 108.33 2kwp s ILE 43 Ca 0.20 0.34 -0.29 0.00 -0.26 0.00 0.00 60.65 60.63 2kwp s ILE 43 Cb -0.09 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 39.99 2kwp s ILE 43 CO 0.93 0.22 1.26 -1.81 0.24 0.00 0.00 174.94 175.79 2kwp s ASP 44 N -1.93 6.75 0.04 4.36 1.01 -1.26 -4.78 116.67 120.86 2kwp s ASP 44 Ca 0.35 1.25 0.08 0.00 0.71 0.00 0.00 52.55 54.94 2kwp s ASP 44 Cb -0.13 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 2kwp s ASP 44 CO 0.19 -1.00 -0.22 -0.69 0.21 0.00 0.00 175.17 173.66 2kwp s VAL 45 N 4.13 1.77 -0.08 -1.27 1.01 -1.26 -1.99 120.40 122.70 2kwp s VAL 45 Ca 0.54 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2kwp s VAL 45 Cb -0.17 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.70 2kwp s VAL 45 CO 0.21 0.27 -0.12 -0.60 0.00 0.00 0.00 175.10 174.86 2kwp s ARG 46 N -1.12 1.76 -0.09 2.72 6.06 0.36 -4.81 118.95 123.83 2kwp s ARG 46 Ca 0.08 -0.41 0.01 0.00 -2.50 0.00 0.00 55.73 52.91 2kwp s ARG 46 Cb -0.09 -1.54 -0.02 0.00 0.06 0.00 0.00 34.95 33.36 2kwp s ARG 46 CO 0.02 -0.05 -0.10 0.08 -2.50 0.00 0.00 175.30 172.74 2kwp s VAL 47 N 0.95 3.36 -0.09 7.11 1.01 -1.26 0.89 120.40 132.37 2kwp s VAL 47 Ca -0.09 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2kwp s VAL 47 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2kwp s VAL 47 CO 0.00 0.56 -0.16 -1.58 0.00 0.00 0.00 175.10 173.92 2kwp s GLN 48 N -0.28 2.99 0.00 2.72 0.74 -0.41 -4.62 119.66 120.79 2kwp s GLN 48 Ca 0.03 -0.73 0.01 0.00 0.05 0.00 0.00 55.36 54.72 2kwp s GLN 48 Cb -0.13 -2.47 -0.04 0.00 1.10 0.00 0.00 33.01 31.48 2kwp s GLN 48 CO 0.03 0.36 0.02 0.42 -0.55 0.00 0.00 175.29 175.56 2kwp s ILE 49 N -0.04 4.26 -0.29 -2.34 1.01 -1.26 -0.24 121.20 122.30 2kwp s ILE 49 Ca -0.04 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 2kwp s ILE 49 Cb -0.14 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.43 2kwp s ILE 49 CO 0.04 0.36 0.04 -1.81 0.00 0.00 0.00 174.94 173.58 2kwp s ASP 50 N -1.62 4.94 0.09 3.58 1.01 0.51 -4.90 116.67 120.28 2kwp s ASP 50 Ca 0.20 -0.89 -0.18 0.00 0.71 0.00 0.00 52.55 52.39 2kwp s ASP 50 Cb -0.12 -1.81 -0.07 0.00 1.01 0.00 0.00 42.92 41.93 2kwp s ASP 50 CO 0.11 -0.21 1.56 0.08 0.21 0.00 0.00 175.17 176.92 2kwp h ARG 51 N 8.15 0.44 0.32 8.23 0.11 -1.95 2.06 114.38 131.75 2kwp h ARG 51 Ca -0.29 -0.12 -0.00 0.00 0.10 0.00 0.00 59.98 59.66 2kwp h ARG 51 Cb 1.11 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 32.11 2kwp h ARG 51 CO 0.59 0.57 -0.46 0.87 0.10 0.00 0.00 179.97 181.64 2kwp h LYS 52 N 0.25 -0.78 -0.35 0.08 6.56 -1.96 -2.78 116.57 117.57 2kwp h LYS 52 Ca 0.08 0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 59.60 2kwp h LYS 52 Cb 0.35 0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 32.18 2kwp h LYS 52 CO 0.01 -0.52 -0.25 0.77 -2.06 0.00 0.00 179.45 177.39 2kwp h SER 53 N -0.81 0.84 -0.24 0.86 0.02 -1.98 -3.48 113.55 108.76 2kwp h SER 53 Ca -0.04 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2kwp h SER 53 Cb 0.74 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2kwp h SER 53 CO -0.13 1.09 0.00 0.61 -1.14 0.00 0.00 176.83 177.26 2kwp n GLY 54 N 0.04 1.13 3.26 -3.77 0.00 0.69 -3.77 105.19 102.78 2kwp n GLY 54 Ca -0.02 -0.29 -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 -2.39 -0.07 0.06 1.61 2.15 -0.85 0.21 116.67 117.38 2kwp s ASP 55 Ca 0.00 -0.46 0.05 0.00 0.43 0.00 0.00 52.55 52.57 2kwp s ASP 55 Cb 0.00 0.41 -0.03 0.00 -0.30 0.00 0.00 42.92 43.00 2kwp s ASP 55 CO 0.00 -0.79 -0.15 0.72 -0.17 0.00 0.00 175.17 174.79 2kwp s PHE 56 N -3.77 1.25 0.08 -5.34 -0.12 -1.26 0.19 117.98 109.02 2kwp s PHE 56 Ca 0.03 -0.41 0.06 0.00 -0.05 0.00 0.00 56.93 56.56 2kwp s PHE 56 Cb 0.03 -0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 41.66 2kwp s PHE 56 CO -0.11 0.05 -0.06 -0.51 -0.05 0.00 0.00 175.22 174.54 2kwp s ASP 57 N -1.45 4.63 -0.04 1.98 1.01 0.67 -4.83 116.67 118.64 2kwp s ASP 57 Ca 0.00 -0.27 -0.14 0.00 0.71 0.00 0.00 52.55 52.85 2kwp s ASP 57 Cb -0.09 -1.00 -0.05 0.00 1.01 0.00 0.00 42.92 42.79 2kwp s ASP 57 CO 0.02 0.20 0.37 -0.89 0.21 0.00 0.00 175.17 175.08 2kwp s THR 58 N -1.19 5.12 0.09 -1.27 2.01 -1.26 -1.29 115.64 117.85 2kwp s THR 58 Ca 0.22 0.74 0.04 0.00 0.31 0.00 0.00 61.69 63.00 2kwp s THR 58 Cb -0.11 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2kwp s THR 58 CO 0.14 0.55 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.15 2kwp s PHE 59 N -0.81 1.04 -0.06 4.92 0.08 0.26 -1.87 117.98 121.53 2kwp s PHE 59 Ca 0.22 -0.62 0.03 0.00 0.12 0.00 0.00 56.93 56.68 2kwp s PHE 59 Cb -0.16 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 2kwp s PHE 59 CO 0.11 -0.00 -0.16 0.50 -0.10 0.00 0.00 175.22 175.57 2kwp s ARG 60 N -2.56 2.65 0.25 0.44 3.52 0.21 0.13 118.95 123.59 2kwp s ARG 60 Ca 0.03 -0.72 0.11 0.00 -0.13 0.00 0.00 55.73 55.02 2kwp s ARG 60 Cb -0.04 -2.39 -0.05 0.00 -1.56 0.00 0.00 34.95 30.91 2kwp s ARG 60 CO 0.00 0.53 -0.14 -0.98 -0.81 0.00 0.00 175.30 173.90 2kwp s ARG 61 N -0.48 1.86 0.05 5.12 1.70 -0.84 -0.26 118.95 126.10 2kwp s ARG 61 Ca 0.06 -1.59 0.00 0.00 -0.47 0.00 0.00 55.73 53.74 2kwp s ARG 61 Cb -0.12 -1.93 -0.03 0.00 -0.57 0.00 0.00 34.95 32.30 2kwp s ARG 61 CO 0.02 0.36 -0.05 -1.58 -1.08 0.00 0.00 175.30 172.97 2kwp s TRP 62 N -2.26 0.54 -0.17 5.89 0.51 0.16 -4.53 118.94 119.08 2kwp s TRP 62 Ca 0.29 -0.77 -0.04 0.00 -2.12 0.00 0.00 56.10 53.45 2kwp s TRP 62 Cb -0.06 -0.35 -0.02 0.00 -0.81 0.00 0.00 33.47 32.22 2kwp s TRP 62 CO 0.16 -0.23 -0.03 -1.17 -0.51 0.00 0.00 176.95 175.17 2kwp s LEU 63 N -2.26 3.17 0.04 2.99 1.98 -1.20 0.12 118.68 123.53 2kwp s LEU 63 Ca -0.02 -0.19 -0.30 0.00 -2.89 0.00 0.00 54.13 50.72 2kwp s LEU 63 Cb -0.01 -1.78 -0.08 0.00 0.66 0.00 0.00 46.19 44.98 2kwp s LEU 63 CO -0.04 0.12 1.72 -0.69 -1.89 0.00 0.00 176.35 175.56 2kwp s VAL 64 N 0.67 3.14 0.01 1.68 1.01 0.37 0.67 120.40 127.95 2kwp s VAL 64 Ca -0.02 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.44 2kwp s VAL 64 Cb -0.14 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2kwp s VAL 64 CO 0.02 -0.02 -0.15 -0.69 0.00 0.00 0.00 175.10 174.27 2kwp s VAL 65 N 3.32 1.17 -0.33 2.92 1.01 0.69 -3.02 120.40 126.16 2kwp s VAL 65 Ca 0.77 -0.77 0.27 0.00 0.00 0.00 0.00 61.98 62.24 2kwp s VAL 65 Cb -0.39 -1.00 0.30 0.00 0.00 0.00 0.00 36.38 35.28 2kwp s VAL 65 CO 0.33 0.22 1.79 -0.78 0.00 0.00 0.00 175.10 176.67 2kwp h ASP 66 N 5.47 0.00 -0.44 3.32 3.58 -1.92 0.92 116.42 127.35 2kwp h ASP 66 Ca -0.36 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 56.80 2kwp h ASP 66 Cb 1.17 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.01 2kwp h ASP 66 CO 0.47 0.00 -0.61 -1.84 -2.88 0.00 0.00 179.24 174.38 2kwp n GLU 67 N -2.51 0.96 -1.24 0.28 0.28 -1.26 -4.73 120.64 112.41 2kwp n GLU 67 Ca 0.02 -2.21 -0.53 0.00 -0.16 0.00 0.00 57.16 54.28 2kwp n GLU 67 Cb 0.28 -1.23 -0.09 0.00 1.43 0.00 0.00 31.44 31.83 2kwp n GLU 67 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2kwp n VAL 68 N 0.60 0.00 0.45 3.84 3.14 -1.25 -4.77 118.33 120.34 2kwp n VAL 68 Ca 0.10 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.60 2kwp n VAL 68 Cb 0.67 -0.41 0.11 0.00 -1.06 0.00 0.00 33.84 33.15 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 4.96 0.00 -2.00 1.55 1.35 -1.96 -3.42 112.91 113.39 2kwp h THR 69 Ca -0.22 -0.61 -0.35 0.00 -0.55 0.00 0.00 66.41 64.67 2kwp h THR 69 Cb 1.15 1.14 -0.32 0.00 -1.73 0.00 0.00 68.15 68.40 2kwp h THR 69 CO 0.86 0.00 -0.67 -1.10 -0.25 0.00 0.00 175.52 174.36 2kwp s GLN 70 N -3.22 0.55 0.00 4.72 1.11 -1.26 -4.99 119.66 116.58 2kwp s GLN 70 Ca 0.04 -0.65 0.09 0.00 0.01 0.00 0.00 55.36 54.85 2kwp s GLN 70 Cb 0.12 -0.70 0.46 0.00 -1.01 0.00 0.00 33.01 31.89 2kwp s GLN 70 CO 0.75 -1.15 1.21 -0.35 0.01 0.00 0.00 175.29 175.76 2kwp n PRO 71 N 4.54 0.10 0.06 2.91 -0.04 -1.26 -1.75 135.00 139.57 2kwp n PRO 71 Ca 0.07 0.23 0.09 0.00 -0.04 0.00 0.00 63.50 63.86 2kwp n PRO 71 Cb 0.45 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.96 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 0.97 0.00 0.52 1.35 -1.92 -3.27 112.91 110.57 2kwp h THR 72 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2kwp h THR 72 Cb 0.11 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 2kwp h THR 72 CO 0.00 0.05 -0.14 2.29 -0.25 0.00 0.00 175.52 177.47 2kwp n LYS 73 N -4.48 0.00 -4.53 4.72 0.00 -1.14 -4.27 118.16 108.46 2kwp n LYS 73 Ca 0.04 -0.46 -0.23 0.00 -0.00 0.00 0.00 58.31 57.66 2kwp n LYS 73 Cb 0.22 -0.32 -0.14 0.00 -0.00 0.00 0.00 35.03 34.79 2kwp n LYS 73 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2kwp s GLU 74 N 0.00 1.18 -0.04 -1.58 2.02 -0.72 -3.21 118.70 116.35 2kwp s GLU 74 Ca 0.00 -0.81 0.07 0.00 0.02 0.00 0.00 54.97 54.24 2kwp s GLU 74 Cb 0.00 -1.23 -0.01 0.00 0.10 0.00 0.00 34.13 32.99 2kwp s GLU 74 CO 0.00 0.31 -0.25 -1.50 0.02 0.00 0.00 175.26 173.84 2kwp s ILE 75 N -0.77 2.09 0.82 -1.63 2.07 0.21 -4.13 121.20 119.87 2kwp s ILE 75 Ca 0.05 -1.07 -0.11 0.00 -1.41 0.00 0.00 60.65 58.10 2kwp s ILE 75 Cb -0.08 -1.74 0.08 0.00 0.13 0.00 0.00 42.46 40.85 2kwp s ILE 75 CO 0.01 0.57 1.09 0.42 -1.91 0.00 0.00 174.94 175.13 2kwp s THR 76 N -0.36 3.06 0.10 4.00 -4.23 -1.26 0.25 115.64 117.20 2kwp s THR 76 Ca 0.02 0.34 -0.23 0.00 -1.18 0.00 0.00 61.69 60.65 2kwp s THR 76 Cb -0.12 -2.95 -0.13 0.00 1.34 0.00 0.00 72.50 70.63 2kwp s THR 76 CO 0.02 -0.45 1.74 0.25 -0.54 0.00 0.00 174.62 175.63 2kwp h LEU 77 N -1.22 -0.02 0.03 4.79 7.12 0.60 0.36 115.31 126.97 2kwp h LEU 77 Ca -0.47 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.55 2kwp h LEU 77 Cb 1.26 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.41 2kwp h LEU 77 CO 0.56 -0.01 -0.03 -0.08 -0.13 0.00 0.00 178.44 178.75 2kwp h GLU 78 N 0.00 -0.06 -0.92 1.25 4.81 -1.92 -2.06 114.58 115.68 2kwp h GLU 78 Ca 0.01 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2kwp h GLU 78 Cb 0.02 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 2kwp h GLU 78 CO -0.03 -0.04 0.58 0.00 -0.73 0.00 0.00 179.01 178.79 2kwp h ALA 79 N 0.90 1.28 -0.89 2.92 0.00 -1.86 -0.26 119.26 121.35 2kwp h ALA 79 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2kwp h ALA 79 Cb 0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 2kwp h ALA 79 CO -0.01 0.34 0.58 0.00 0.00 0.00 0.00 179.25 180.16 2kwp h ALA 80 N 1.43 1.61 -0.21 0.00 0.00 0.37 -1.48 119.26 120.98 2kwp h ALA 80 Ca 0.40 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 2kwp h ALA 80 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kwp h ALA 80 CO -0.18 0.22 -0.02 0.00 0.00 0.00 0.00 179.25 179.28 2kwp h ARG 81 N 0.91 0.38 -0.75 0.00 3.08 -0.41 0.42 114.38 118.01 2kwp h ARG 81 Ca 0.41 -0.13 0.15 0.00 0.07 0.00 0.00 59.98 60.48 2kwp h ARG 81 Cb 0.36 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 2kwp h ARG 81 CO -0.17 0.59 0.50 1.88 -1.07 0.00 0.00 179.97 181.71 2kwp h TYR 82 N 0.13 0.45 0.00 3.04 0.05 -0.68 0.45 116.97 120.42 2kwp h TYR 82 Ca 0.06 0.01 -0.23 0.00 0.05 0.00 0.00 58.73 58.62 2kwp h TYR 82 Cb 0.43 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.99 2kwp h TYR 82 CO 0.04 0.17 -1.37 0.93 -1.05 0.00 0.00 178.16 176.88 2kwp h GLU 83 N 0.39 0.00 -0.02 4.88 5.08 -0.97 -3.46 114.58 120.48 2kwp h GLU 83 Ca 0.37 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 59.00 2kwp h GLU 83 Cb 0.89 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.96 2kwp h GLU 83 CO -0.11 0.58 0.09 -0.51 -1.00 0.00 0.00 179.01 178.06 2kwp s ASP 84 N -6.22 -0.03 0.61 1.42 1.01 0.14 -4.99 116.67 108.62 2kwp s ASP 84 Ca -0.02 0.00 0.26 0.00 0.71 0.00 0.00 52.55 53.50 2kwp s ASP 84 Cb 0.09 0.91 1.22 0.00 1.01 0.00 0.00 42.92 46.15 2kwp s ASP 84 CO 0.81 -0.00 1.65 -0.08 0.21 0.00 0.00 175.17 177.76 2kwp h GLU 85 N 6.80 0.00 0.00 8.23 4.81 -1.53 0.95 114.58 133.84 2kwp h GLU 85 Ca -0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 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 -0.17 0.00 0.00 0.77 -0.73 0.00 0.00 179.01 178.88 2kwp h SER 86 N 0.00 0.00 -3.98 1.04 0.02 -1.88 -3.42 113.55 105.33 2kwp h SER 86 Ca 0.24 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.70 2kwp h SER 86 Cb 1.67 0.00 0.04 0.00 0.14 0.00 0.00 62.40 64.25 2kwp h SER 86 CO -0.00 0.00 0.45 -0.76 -1.14 0.00 0.00 176.83 175.37 2kwp s LEU 87 N -6.08 4.08 0.24 5.07 1.43 0.33 -5.05 118.68 118.70 2kwp s LEU 87 Ca -0.04 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 2kwp s LEU 87 Cb 0.12 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 2kwp s LEU 87 CO 0.42 -0.68 0.12 0.21 0.23 0.00 0.00 176.35 176.65 2kwp s ASN 88 N -1.47 0.74 0.04 2.29 2.47 -1.26 -4.75 114.94 113.00 2kwp s ASN 88 Ca 0.60 -1.41 -0.32 0.00 0.42 0.00 0.00 52.86 52.16 2kwp s ASN 88 Cb -0.25 0.29 -0.11 0.00 -1.45 0.00 0.00 41.25 39.73 2kwp s ASN 88 CO 0.31 -0.80 1.86 -0.11 -3.72 0.00 0.00 177.10 174.64 2kwp n LEU 89 N -0.39 3.80 0.00 3.21 -0.00 -1.26 -0.73 117.00 121.63 2kwp n LEU 89 Ca 0.01 0.97 0.00 0.00 -0.00 0.00 0.00 56.01 56.99 2kwp n LEU 89 Cb 0.66 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.60 2kwp n LEU 89 CO 0.35 0.06 0.00 0.61 -0.00 0.00 0.00 177.39 178.41 2kwp n GLY 90 N 4.27 0.73 3.98 -3.96 0.00 -1.17 -5.02 105.19 104.03 2kwp n GLY 90 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.57 6.02 -0.09 1.61 1.01 0.09 -4.86 116.67 117.87 2kwp s ASP 91 Ca 0.00 -0.08 0.02 0.00 0.71 0.00 0.00 52.55 53.19 2kwp s ASP 91 Cb 0.00 -1.38 -0.02 0.00 1.01 0.00 0.00 42.92 42.53 2kwp s ASP 91 CO 0.00 -0.40 -0.14 -0.31 0.21 0.00 0.00 175.17 174.53 2kwp s TYR 92 N -2.19 2.76 0.09 4.23 2.02 -1.26 -0.48 117.35 122.53 2kwp s TYR 92 Ca 0.44 -0.42 -0.07 0.00 -0.37 0.00 0.00 57.07 56.64 2kwp s TYR 92 Cb -0.09 -1.75 -0.06 0.00 -0.40 0.00 0.00 41.96 39.66 2kwp s TYR 92 CO 0.32 -0.03 0.37 0.08 -1.57 0.00 0.00 175.55 174.72 2kwp s VAL 93 N -0.14 5.16 0.11 0.71 1.01 0.33 -4.84 120.40 122.73 2kwp s VAL 93 Ca -0.01 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.29 2kwp s VAL 93 Cb -0.14 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2kwp s VAL 93 CO 0.03 0.20 -0.11 -1.61 0.00 0.00 0.00 175.10 173.61 2kwp s GLU 94 N -2.19 2.08 -0.01 2.72 2.02 -1.26 -0.66 118.70 121.40 2kwp s GLU 94 Ca 0.35 -1.06 -0.26 0.00 0.02 0.00 0.00 54.97 54.03 2kwp s GLU 94 Cb -0.13 -2.27 0.06 0.00 0.10 0.00 0.00 34.13 31.88 2kwp s GLU 94 CO 0.20 0.50 0.58 0.34 0.02 0.00 0.00 175.26 176.90 2kwp s ASP 95 N -2.23 -0.53 -0.13 -0.19 2.15 0.64 -4.96 116.67 111.42 2kwp s ASP 95 Ca 0.21 0.44 -0.12 0.00 0.43 0.00 0.00 52.55 53.51 2kwp s ASP 95 Cb -0.11 0.50 -0.05 0.00 -0.30 0.00 0.00 42.92 42.96 2kwp s ASP 95 CO 0.13 -0.63 0.27 -1.58 -0.17 0.00 0.00 175.17 173.19 2kwp s GLN 96 N -1.68 4.04 0.19 4.34 0.74 -1.26 0.68 119.66 126.71 2kwp s GLN 96 Ca -0.09 0.07 0.04 0.00 0.05 0.00 0.00 55.36 55.43 2kwp s GLN 96 Cb -0.01 -3.35 -0.05 0.00 1.10 0.00 0.00 33.01 30.71 2kwp s GLN 96 CO 0.05 0.42 -0.05 0.96 -0.55 0.00 0.00 175.29 176.12 2kwp s ILE 97 N -0.08 1.09 0.27 -2.34 -4.36 -0.78 -4.80 121.20 110.20 2kwp s ILE 97 Ca 0.17 -2.05 -0.27 0.00 -0.26 0.00 0.00 60.65 58.24 2kwp s ILE 97 Cb -0.13 -2.11 -0.15 0.00 1.25 0.00 0.00 42.46 41.31 2kwp s ILE 97 CO 0.05 -0.52 0.62 -0.62 0.24 0.00 0.00 174.94 174.70 2kwp n GLU 98 N -0.31 0.44 -3.27 0.37 1.02 -1.26 -4.23 120.64 113.40 2kwp n GLU 98 Ca -0.07 0.16 -0.18 0.00 -0.02 0.00 0.00 57.16 57.04 2kwp n GLU 98 Cb 0.62 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kwp s SER 99 N -0.88 5.84 -0.08 1.62 0.01 -1.26 -4.54 113.70 114.42 2kwp s SER 99 Ca 0.62 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.60 2kwp s SER 99 Cb -0.80 -1.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.40 2kwp s SER 99 CO 0.58 -0.57 -0.02 -0.69 0.41 0.00 0.00 173.24 172.94 2kwp s VAL 100 N -2.25 4.10 0.58 3.43 1.01 -1.26 -4.95 120.40 121.05 2kwp s VAL 100 Ca 0.49 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 2kwp s VAL 100 Cb -0.10 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2kwp s VAL 100 CO 0.32 0.60 1.05 0.42 0.00 0.00 0.00 175.10 177.49 2kwp s THR 101 N -0.86 3.82 0.00 3.92 -4.23 -1.26 -4.96 115.64 112.07 2kwp s THR 101 Ca 0.13 0.89 0.00 0.00 -1.18 0.00 0.00 61.69 61.53 2kwp s THR 101 Cb -0.11 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.33 2kwp s THR 101 CO 0.02 -0.48 0.00 0.33 -0.54 0.00 0.00 174.62 173.95 2kwp n PHE 102 N -1.90 0.00 -0.09 3.99 7.35 -1.26 -4.28 117.46 121.27 2kwp n PHE 102 Ca 0.09 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.77 2kwp n PHE 102 Cb 0.53 0.00 0.25 0.00 0.35 0.00 0.00 39.48 40.61 2kwp n PHE 102 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2kwp h ASP 103 N 0.00 0.68 0.04 -2.13 3.58 -1.95 0.36 116.42 116.99 2kwp h ASP 103 Ca 0.00 -0.10 -0.37 0.00 0.42 0.00 0.00 57.03 56.98 2kwp h ASP 103 Cb 0.00 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 40.83 2kwp h ASP 103 CO 0.00 0.65 -2.17 0.54 -2.88 0.00 0.00 179.24 175.38 2kwp n ARG 104 N -4.31 0.66 0.23 0.28 1.74 -1.26 -4.21 116.66 109.78 2kwp n ARG 104 Ca 0.04 0.27 0.08 0.00 -0.77 0.00 0.00 57.85 57.46 2kwp n ARG 104 Cb 0.19 -1.61 0.54 0.00 -1.02 0.00 0.00 32.46 30.57 2kwp n ARG 104 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2kwp h ILE 105 N -0.29 0.90 -0.21 0.55 2.04 -1.74 -3.41 117.51 115.35 2kwp h ILE 105 Ca -0.52 -0.83 -0.41 0.00 1.00 0.00 0.00 64.86 64.11 2kwp h ILE 105 Cb 1.81 1.48 -0.08 0.00 -0.74 0.00 0.00 36.82 39.29 2kwp h ILE 105 CO -0.11 0.22 1.69 1.07 0.00 0.00 0.00 178.15 181.02 2kwp n THR 106 N -3.91 -0.01 -4.35 -0.27 5.66 0.13 -4.84 114.28 106.69 2kwp n THR 106 Ca -0.02 -0.30 -0.18 0.00 -3.05 0.00 0.00 64.05 60.50 2kwp n THR 106 Cb 0.31 -0.72 -0.10 0.00 -1.55 0.00 0.00 70.33 68.26 2kwp n THR 106 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2kwp s THR 107 N 6.82 1.19 0.50 1.09 -4.23 -1.26 -5.02 115.64 114.73 2kwp s THR 107 Ca 1.27 -2.06 0.15 0.00 -1.18 0.00 0.00 61.69 59.88 2kwp s THR 107 Cb -0.90 -2.34 0.29 0.00 1.34 0.00 0.00 72.50 70.88 2kwp s THR 107 CO 0.46 -0.34 2.10 1.56 -0.54 0.00 0.00 174.62 177.86 2kwp h GLN 108 N 2.44 0.12 -0.97 3.99 4.20 -2.00 -1.42 115.11 121.46 2kwp h GLN 108 Ca -0.39 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.39 2kwp h GLN 108 Cb 1.22 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.91 2kwp h GLN 108 CO 0.65 0.08 0.62 1.15 -0.67 0.00 0.00 178.83 180.66 2kwp h THR 109 N 0.12 1.05 -0.67 -0.54 2.02 -1.95 -0.58 112.91 112.36 2kwp h THR 109 Ca 0.07 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 2kwp h THR 109 Cb 0.15 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 2kwp h THR 109 CO -0.01 0.20 0.35 0.00 0.37 0.00 0.00 175.52 176.43 2kwp h ALA 110 N 1.46 1.37 -0.23 6.16 0.00 -1.59 -1.58 119.26 124.85 2kwp h ALA 110 Ca 0.43 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2kwp h ALA 110 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kwp h ALA 110 CO -0.19 0.51 -0.10 0.87 0.00 0.00 0.00 179.25 180.34 2kwp h LYS 111 N 0.93 0.36 -0.67 0.00 1.57 -1.13 -2.30 116.57 115.34 2kwp h LYS 111 Ca 0.24 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2kwp h LYS 111 Cb 0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2kwp h LYS 111 CO -0.04 0.47 0.32 1.96 -0.57 0.00 0.00 179.45 181.59 2kwp h GLN 112 N 0.34 0.94 -0.59 3.15 4.20 -0.83 -2.15 115.11 120.18 2kwp h GLN 112 Ca 0.07 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 2kwp h GLN 112 Cb 0.39 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2kwp h GLN 112 CO 0.02 0.73 0.01 0.28 -0.67 0.00 0.00 178.83 179.20 2kwp h VAL 113 N 0.94 1.26 -0.62 -0.54 2.07 -1.31 -1.33 116.25 116.73 2kwp h VAL 113 Ca 0.23 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 2kwp h VAL 113 Cb 0.10 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2kwp h VAL 113 CO -0.03 0.41 0.30 0.40 0.02 0.00 0.00 177.57 178.67 2kwp h ILE 114 N 0.94 1.21 -0.29 4.57 2.04 -1.25 0.16 117.51 124.90 2kwp h ILE 114 Ca 0.17 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 2kwp h ILE 114 Cb 0.53 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2kwp h ILE 114 CO 0.03 0.24 -0.02 0.58 0.00 0.00 0.00 178.15 178.98 2kwp h VAL 115 N 0.84 1.26 -0.68 1.67 2.07 -1.19 -1.32 116.25 118.91 2kwp h VAL 115 Ca 0.21 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2kwp h VAL 115 Cb 0.11 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2kwp h VAL 115 CO -0.03 0.31 0.26 1.56 0.02 0.00 0.00 177.57 179.69 2kwp h GLN 116 N 0.30 1.03 -0.11 1.57 4.20 -1.00 0.78 115.11 121.87 2kwp h GLN 116 Ca 0.08 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 2kwp h GLN 116 Cb 0.46 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2kwp h GLN 116 CO 0.02 0.87 0.05 -0.22 -0.67 0.00 0.00 178.83 178.88 2kwp h LYS 117 N 0.97 0.16 -0.05 1.46 1.63 -0.55 -2.29 116.57 117.91 2kwp h LYS 117 Ca 0.22 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.85 2kwp h LYS 117 Cb 0.23 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2kwp h LYS 117 CO -0.02 0.23 -0.63 0.28 -3.45 0.00 0.00 179.45 175.87 2kwp h VAL 118 N 0.05 1.41 -0.91 2.00 2.07 -1.05 -3.05 116.25 116.77 2kwp h VAL 118 Ca 0.04 -2.05 0.05 0.00 0.82 0.00 0.00 66.70 65.56 2kwp h VAL 118 Cb 0.13 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 2kwp h VAL 118 CO -0.00 0.60 0.59 -0.09 0.02 0.00 0.00 177.57 178.69 2kwp h ARG 119 N 0.14 1.04 -0.30 1.57 2.43 0.87 -0.47 114.38 119.67 2kwp h ARG 119 Ca -0.01 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2kwp h ARG 119 Cb 1.13 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 2kwp h ARG 119 CO 0.09 0.69 0.13 1.49 -1.51 0.00 0.00 179.97 180.86 2kwp h GLU 120 N 1.08 0.41 -0.36 0.20 4.81 -1.30 -1.46 114.58 117.96 2kwp h GLU 120 Ca 0.38 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 2kwp h GLU 120 Cb 0.12 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2kwp h GLU 120 CO -0.13 0.34 0.07 0.00 -0.73 0.00 0.00 179.01 178.56 2kwp h ALA 121 N 1.73 1.45 -0.47 2.92 0.00 -1.15 -1.91 119.26 121.82 2kwp h ALA 121 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kwp h ALA 121 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2kwp h ALA 121 CO -0.01 0.40 0.27 1.49 0.00 0.00 0.00 179.25 181.40 2kwp h GLU 122 N 0.52 0.63 -0.96 0.00 4.81 -1.16 -1.78 114.58 116.64 2kwp h GLU 122 Ca 0.12 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.38 2kwp h GLU 122 Cb 0.23 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 2kwp h GLU 122 CO -0.00 0.45 0.62 -0.09 -0.73 0.00 0.00 179.01 179.26 2kwp h ARG 123 N 0.64 1.01 -6.67 1.92 2.43 -1.35 -3.40 114.38 108.97 2kwp h ARG 123 Ca 0.17 -0.06 -0.51 0.00 -0.81 0.00 0.00 59.98 58.77 2kwp h ARG 123 Cb -0.01 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 2kwp h ARG 123 CO -0.03 0.67 0.44 0.00 -1.51 0.00 0.00 179.97 179.54 2kwp s ALA 124 N -5.94 3.35 0.12 2.80 0.00 -0.67 -5.04 121.76 116.38 2kwp s ALA 124 Ca -0.12 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.63 2kwp s ALA 124 Cb 0.21 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2kwp s ALA 124 CO 0.81 -0.11 -0.10 -1.64 0.00 0.00 0.00 175.76 174.71 2kwp s MET 125 N -0.52 0.97 0.06 0.00 -1.94 -1.26 -4.99 119.30 111.60 2kwp s MET 125 Ca 0.47 -1.35 -0.11 0.00 -1.71 0.00 0.00 55.69 53.00 2kwp s MET 125 Cb -0.28 -0.55 -0.06 0.00 2.01 0.00 0.00 34.83 35.96 2kwp s MET 125 CO 0.34 0.07 0.40 -0.51 -0.01 0.00 0.00 175.02 175.31 2kwp s LEU 126 N -2.93 4.38 0.26 -0.03 1.43 -1.26 -5.09 118.68 115.44 2kwp s LEU 126 Ca 0.13 0.83 0.10 0.00 -1.03 0.00 0.00 54.13 54.15 2kwp s LEU 126 Cb 0.01 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 2kwp s LEU 126 CO -0.00 0.21 -0.05 0.68 0.23 0.00 0.00 176.35 177.42 2kwp s VAL 127 N -1.31 3.25 -0.01 -1.59 -7.23 -1.26 -5.01 120.40 107.24 2kwp s VAL 127 Ca 0.30 -1.98 0.32 0.00 -1.81 0.00 0.00 61.98 58.81 2kwp s VAL 127 Cb -0.15 -2.72 0.36 0.00 0.56 0.00 0.00 36.38 34.43 2kwp s VAL 127 CO 0.17 -0.36 1.94 1.55 -0.31 0.00 0.00 175.10 178.09 2kwp h PRO 128 N 2.05 0.00 0.00 4.82 0.13 -2.10 -3.58 132.00 133.31 2kwp h PRO 128 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kwp h PRO 128 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kwp h PRO 128 CO 0.60 0.00 0.00 2.89 -0.23 0.00 0.00 178.00 181.26