#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 5.65 0.38 7.83 2.47 0.27 -4.94 114.94 126.60 2kwp s ASN 2 Ca 0.00 -0.49 0.20 0.00 0.42 0.00 0.00 52.86 52.99 2kwp s ASN 2 Cb 0.00 -2.03 0.62 0.00 -1.45 0.00 0.00 41.25 38.39 2kwp s ASN 2 CO 0.00 -0.20 1.70 0.11 -3.72 0.00 0.00 177.10 174.99 2kwp h LYS 3 N 8.37 0.00 -0.71 0.43 1.57 -1.90 -3.07 116.57 121.26 2kwp h LYS 3 Ca -0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 2kwp h LYS 3 Cb 1.15 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 2kwp h LYS 3 CO 0.62 0.33 0.40 0.93 -0.57 0.00 0.00 179.45 181.16 2kwp h GLU 4 N 0.00 0.98 -0.83 3.15 5.08 -1.92 -0.05 114.58 120.99 2kwp h GLU 4 Ca -0.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2kwp h GLU 4 Cb 0.96 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 2kwp h GLU 4 CO 0.04 0.71 0.44 0.82 -1.00 0.00 0.00 179.01 180.02 2kwp h ILE 5 N 0.99 1.25 0.00 3.13 1.08 -1.80 -0.87 117.51 121.29 2kwp h ILE 5 Ca 0.25 -0.63 -0.12 0.00 -0.39 0.00 0.00 64.86 63.97 2kwp h ILE 5 Cb 0.01 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 33.89 2kwp h ILE 5 CO -0.04 0.28 -0.57 -0.07 -0.69 0.00 0.00 178.15 177.06 2kwp h LEU 6 N 1.16 0.00 -0.16 1.44 3.38 -1.48 -2.95 115.31 116.70 2kwp h LEU 6 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.15 2kwp h LEU 6 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2kwp h LEU 6 CO -0.04 0.57 -0.35 0.00 0.09 0.00 0.00 178.44 178.71 2kwp h ALA 7 N 1.43 0.26 -0.05 1.53 0.00 -0.33 -2.67 119.26 119.43 2kwp h ALA 7 Ca -0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2kwp h ALA 7 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2kwp h ALA 7 CO 0.07 0.32 -0.25 -0.24 0.00 0.00 0.00 179.25 179.15 2kwp h VAL 8 N 0.16 1.21 -0.33 0.00 3.04 -1.21 -1.85 116.25 117.27 2kwp h VAL 8 Ca 0.00 -0.97 -0.14 0.00 -1.01 0.00 0.00 66.70 64.58 2kwp h VAL 8 Cb 0.95 1.45 -0.01 0.00 -2.01 0.00 0.00 31.29 31.67 2kwp h VAL 8 CO 0.08 0.28 -0.37 0.58 -1.01 0.00 0.00 177.57 177.13 2kwp h VAL 9 N 0.08 1.28 -0.04 1.51 2.07 -1.43 -2.79 116.25 116.93 2kwp h VAL 9 Ca 0.01 -1.54 -0.16 0.00 0.82 0.00 0.00 66.70 65.84 2kwp h VAL 9 Cb 0.49 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2kwp h VAL 9 CO 0.04 0.50 -0.67 -0.33 0.02 0.00 0.00 177.57 177.13 2kwp h GLU 10 N 0.64 0.20 -0.03 1.57 5.08 -1.11 -2.87 114.58 118.06 2kwp h GLU 10 Ca 0.06 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 2kwp h GLU 10 Cb 0.92 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2kwp h GLU 10 CO 0.08 0.80 -0.31 0.00 -1.00 0.00 0.00 179.01 178.58 2kwp h ALA 11 N 1.16 1.42 -0.00 3.43 0.00 -1.20 -1.29 119.26 122.77 2kwp h ALA 11 Ca -0.01 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 2kwp h ALA 11 Cb 1.20 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2kwp h ALA 11 CO 0.10 0.42 -0.71 0.28 0.00 0.00 0.00 179.25 179.35 2kwp h VAL 12 N 0.06 1.39 0.00 0.00 2.07 -1.36 -3.15 116.25 115.25 2kwp h VAL 12 Ca 0.01 -2.11 -0.06 0.00 0.82 0.00 0.00 66.70 65.35 2kwp h VAL 12 Cb 0.58 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 2kwp h VAL 12 CO 0.04 0.63 -0.30 0.77 0.02 0.00 0.00 177.57 178.72 2kwp h SER 13 N 0.03 0.00 -0.18 0.57 4.64 -1.35 -2.82 113.55 114.44 2kwp h SER 13 Ca -0.09 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.12 2kwp h SER 13 Cb 1.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 2kwp h SER 13 CO 0.14 0.30 -0.26 -1.13 -0.87 0.00 0.00 176.83 175.02 2kwp h ASN 14 N 0.00 0.66 0.04 4.97 -0.73 -1.23 2.16 115.58 121.45 2kwp h ASN 14 Ca -0.00 -0.24 -0.00 0.00 1.87 0.00 0.00 56.30 57.92 2kwp h ASN 14 Cb 0.68 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.09 2kwp h ASN 14 CO 0.04 0.90 -0.02 -0.33 -0.37 0.00 0.00 177.43 177.64 2kwp h GLU 15 N 0.57 -0.06 -0.22 6.67 5.08 -1.46 -3.34 114.58 121.83 2kwp h GLU 15 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2kwp h GLU 15 Cb 0.74 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2kwp h GLU 15 CO 0.06 0.43 0.00 1.17 -1.00 0.00 0.00 179.01 179.67 2kwp n LYS 16 N -4.88 2.65 -1.53 2.33 4.81 -1.17 -4.94 118.16 115.43 2kwp n LYS 16 Ca -0.09 -2.51 -0.10 0.00 -0.87 0.00 0.00 58.31 54.74 2kwp n LYS 16 Cb 0.26 -1.59 -0.04 0.00 0.02 0.00 0.00 35.03 33.69 2kwp n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kwp n ALA 17 N -0.43 -0.29 -0.91 3.14 0.00 0.73 -4.89 120.51 117.86 2kwp n ALA 17 Ca 0.16 0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 2kwp n ALA 17 Cb 0.69 -1.19 0.16 0.00 0.00 0.00 0.00 19.45 19.11 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 -3.81 2.47 0.22 0.00 1.43 -1.16 -4.95 118.68 112.88 2kwp s LEU 18 Ca 0.00 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 54.66 2kwp s LEU 18 Cb 0.00 -4.25 -0.09 0.00 0.03 0.00 0.00 46.19 41.88 2kwp s LEU 18 CO 0.00 -2.92 1.26 -2.16 0.23 0.00 0.00 176.35 172.76 2kwp s PRO 19 N -4.74 4.43 0.22 1.29 0.04 -1.26 -4.58 135.00 130.40 2kwp s PRO 19 Ca 0.65 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.63 2kwp s PRO 19 Cb -0.21 -3.19 0.29 0.00 0.04 0.00 0.00 34.50 31.44 2kwp s PRO 19 CO 0.58 -0.16 1.82 0.00 0.04 0.00 0.00 177.00 179.29 2kwp h ARG 20 N 4.92 0.77 0.01 4.56 3.08 -1.92 -2.48 114.38 123.31 2kwp h ARG 20 Ca -0.45 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.58 2kwp h ARG 20 Cb 1.22 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.04 2kwp h ARG 20 CO 0.74 0.51 -0.42 1.49 -1.07 0.00 0.00 179.97 181.22 2kwp h GLU 21 N 0.79 -0.56 -0.71 0.04 4.81 -1.99 -1.03 114.58 115.93 2kwp h GLU 21 Ca 0.34 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.75 2kwp h GLU 21 Cb 0.21 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 29.61 2kwp h GLU 21 CO -0.19 -0.37 0.20 -0.22 -0.73 0.00 0.00 179.01 177.70 2kwp h LYS 22 N -0.58 0.31 -0.11 1.92 3.64 -1.86 -0.97 116.57 118.92 2kwp h LYS 22 Ca 0.04 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2kwp h LYS 22 Cb 0.66 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.36 2kwp h LYS 22 CO -0.31 0.20 -0.17 0.82 -2.27 0.00 0.00 179.45 177.72 2kwp h ILE 23 N 0.32 0.57 -0.88 2.00 2.04 -0.81 0.26 117.51 121.02 2kwp h ILE 23 Ca 0.39 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.44 2kwp h ILE 23 Cb 0.63 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 2kwp h ILE 23 CO -0.46 0.00 0.58 -0.26 0.00 0.00 0.00 178.15 178.01 2kwp h PHE 24 N -0.22 0.58 -0.52 1.37 0.04 -0.14 0.17 116.94 118.22 2kwp h PHE 24 Ca 0.09 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.88 2kwp h PHE 24 Cb 0.35 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 2kwp h PHE 24 CO -0.27 0.17 0.33 0.93 -0.60 0.00 0.00 178.31 178.87 2kwp h GLU 25 N 0.45 0.69 -0.33 1.51 5.08 -0.30 0.91 114.58 122.59 2kwp h GLU 25 Ca 0.45 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.62 2kwp h GLU 25 Cb 1.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2kwp h GLU 25 CO -0.18 0.47 -0.35 0.00 -1.00 0.00 0.00 179.01 177.95 2kwp h ALA 26 N 1.18 0.76 -0.09 3.43 0.00 -0.32 -2.18 119.26 122.04 2kwp h ALA 26 Ca 0.19 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2kwp h ALA 26 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kwp h ALA 26 CO -0.04 0.65 0.04 1.25 0.00 0.00 0.00 179.25 181.15 2kwp h LEU 27 N 0.62 0.05 -1.00 0.00 5.85 -0.25 -1.92 115.31 118.66 2kwp h LEU 27 Ca 0.06 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2kwp h LEU 27 Cb 0.89 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 2kwp h LEU 27 CO 0.08 0.04 0.56 -0.33 -0.34 0.00 0.00 178.44 178.45 2kwp h GLU 28 N 0.08 1.25 -0.29 1.25 5.08 -0.74 -1.18 114.58 120.02 2kwp h GLU 28 Ca 0.04 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2kwp h GLU 28 Cb 0.01 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2kwp h GLU 28 CO -0.03 0.87 0.19 1.03 -1.00 0.00 0.00 179.01 180.07 2kwp h SER 29 N 1.27 0.28 0.36 1.42 0.87 -0.79 0.17 113.55 117.13 2kwp h SER 29 Ca 0.33 -0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.65 2kwp h SER 29 Cb -0.06 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2kwp h SER 29 CO -0.06 0.20 -0.98 0.00 -0.53 0.00 0.00 176.83 175.45 2kwp h ALA 30 N 1.83 0.33 -0.05 6.23 0.00 -0.49 -2.18 119.26 124.93 2kwp h ALA 30 Ca 0.11 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 2kwp h ALA 30 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kwp h ALA 30 CO -0.02 0.83 -0.25 -0.07 0.00 0.00 0.00 179.25 179.73 2kwp h LEU 31 N 0.21 0.30 -1.00 0.00 -0.00 -0.56 -1.08 115.31 113.20 2kwp h LEU 31 Ca -0.09 -0.66 -0.04 0.00 -0.00 0.00 0.00 57.88 57.09 2kwp h LEU 31 Cb 1.63 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 42.17 2kwp h LEU 31 CO 0.17 0.92 0.25 0.00 -0.00 0.00 0.00 178.44 179.78 2kwp h ALA 32 N 0.39 1.20 -0.21 1.53 0.00 -0.79 0.68 119.26 122.07 2kwp h ALA 32 Ca -0.02 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 2kwp h ALA 32 Cb 0.92 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2kwp h ALA 32 CO 0.05 0.58 -0.50 1.15 0.00 0.00 0.00 179.25 180.53 2kwp h THR 33 N 0.95 1.31 0.00 0.00 2.02 -1.41 -1.69 112.91 114.09 2kwp h THR 33 Ca 0.22 -1.72 -0.14 0.00 0.77 0.00 0.00 66.41 65.54 2kwp h THR 33 Cb 0.20 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 2kwp h THR 33 CO -0.02 0.54 -0.68 0.00 0.37 0.00 0.00 175.52 175.73 2kwp h ALA 34 N 0.60 0.80 0.01 6.16 0.00 -0.91 -2.76 119.26 123.15 2kwp h ALA 34 Ca -0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2kwp h ALA 34 Cb 1.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2kwp h ALA 34 CO 0.11 0.85 -0.00 1.15 0.00 0.00 0.00 179.25 181.36 2kwp h THR 35 N 0.00 1.42 -0.13 0.00 2.02 0.43 -3.11 112.91 113.55 2kwp h THR 35 Ca -0.01 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 2kwp h THR 35 Cb 1.27 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.98 2kwp h THR 35 CO 0.09 0.34 0.04 0.07 0.37 0.00 0.00 175.52 176.42 2kwp h LYS 36 N -0.57 0.18 -0.07 6.66 2.10 -1.36 -1.13 116.57 122.37 2kwp h LYS 36 Ca -0.00 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2kwp h LYS 36 Cb 0.56 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2kwp h LYS 36 CO 0.00 0.16 -0.02 0.87 -2.00 0.00 0.00 179.45 178.46 2kwp h LYS 37 N 0.18 0.10 -0.81 0.07 1.57 -1.42 -1.75 116.57 114.52 2kwp h LYS 37 Ca 0.05 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2kwp h LYS 37 Cb 0.06 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2kwp h LYS 37 CO -0.00 0.14 0.35 0.87 -0.57 0.00 0.00 179.45 180.24 2kwp h LYS 38 N 0.10 1.18 -0.12 3.15 1.57 -1.16 -2.56 116.57 118.73 2kwp h LYS 38 Ca 0.03 -0.19 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 2kwp h LYS 38 Cb 0.11 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 2kwp h LYS 38 CO 0.00 0.93 -0.67 1.88 -0.57 0.00 0.00 179.45 181.02 2kwp h TYR 39 N 1.16 0.64 -0.19 -1.35 0.05 -1.41 -3.46 116.97 112.41 2kwp h TYR 39 Ca 0.27 -0.26 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 2kwp h TYR 39 Cb 0.17 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 2kwp h TYR 39 CO 0.02 1.02 -0.07 -1.91 -1.05 0.00 0.00 178.16 176.16 2kwp n GLU 40 N -3.89 -0.88 -0.42 4.88 2.13 -0.88 -4.84 120.64 116.74 2kwp n GLU 40 Ca -0.04 0.48 0.08 0.00 0.66 0.00 0.00 57.16 58.34 2kwp n GLU 40 Cb 0.68 -4.29 0.26 0.00 0.27 0.00 0.00 31.44 28.36 2kwp n GLU 40 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2kwp n GLN 41 N -1.67 3.22 -3.79 5.31 1.13 -1.26 -4.96 117.38 115.36 2kwp n GLN 41 Ca -0.04 -2.62 -0.23 0.00 -1.94 0.00 0.00 57.00 52.18 2kwp n GLN 41 Cb 0.28 -1.69 0.01 0.00 0.11 0.00 0.00 30.24 28.95 2kwp n GLN 41 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2kwp n GLU 42 N 0.33 -4.19 -3.38 -1.09 1.02 -1.26 -4.72 120.64 107.35 2kwp n GLU 42 Ca 0.20 0.54 -0.29 0.00 -0.02 0.00 0.00 57.16 57.58 2kwp n GLU 42 Cb 0.75 -4.92 -0.04 0.00 -0.02 0.00 0.00 31.44 27.22 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 -3.77 5.02 -0.37 -3.67 -4.36 -1.26 -4.36 121.20 108.43 2kwp s ILE 43 Ca 0.02 0.12 -0.23 0.00 -0.26 0.00 0.00 60.65 60.30 2kwp s ILE 43 Cb -0.01 -3.71 0.01 0.00 1.25 0.00 0.00 42.46 40.01 2kwp s ILE 43 CO 0.84 -0.25 0.78 -0.62 0.24 0.00 0.00 174.94 175.93 2kwp s ASP 44 N -2.98 6.53 0.04 4.36 -1.08 -1.20 -4.78 116.67 117.57 2kwp s ASP 44 Ca 0.44 0.30 0.08 0.00 -0.52 0.00 0.00 52.55 52.86 2kwp s ASP 44 Cb -0.11 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 38.93 2kwp s ASP 44 CO 0.28 -0.75 -0.23 -0.69 0.52 0.00 0.00 175.17 174.30 2kwp s VAL 45 N 3.12 2.38 -0.07 1.11 1.01 -1.26 -1.98 120.40 124.70 2kwp s VAL 45 Ca 0.31 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2kwp s VAL 45 Cb -0.13 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2kwp s VAL 45 CO 0.17 0.36 -0.17 -0.60 0.00 0.00 0.00 175.10 174.86 2kwp s ARG 46 N -1.31 2.16 -0.12 2.72 3.52 0.41 -4.67 118.95 121.66 2kwp s ARG 46 Ca 0.13 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2kwp s ARG 46 Cb -0.10 -1.72 -0.02 0.00 -1.56 0.00 0.00 34.95 31.55 2kwp s ARG 46 CO 0.03 0.10 -0.08 0.08 -0.81 0.00 0.00 175.30 174.62 2kwp s VAL 47 N 0.49 3.54 -0.19 7.11 1.01 -1.26 0.24 120.40 131.33 2kwp s VAL 47 Ca -0.15 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 2kwp s VAL 47 Cb -0.16 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2kwp s VAL 47 CO 0.05 0.54 -0.08 -1.58 0.00 0.00 0.00 175.10 174.03 2kwp s GLN 48 N -0.04 3.34 0.06 2.72 0.74 -0.73 -4.70 119.66 121.05 2kwp s GLN 48 Ca -0.01 -0.66 -0.05 0.00 0.05 0.00 0.00 55.36 54.69 2kwp s GLN 48 Cb -0.14 -2.86 -0.05 0.00 1.10 0.00 0.00 33.01 31.07 2kwp s GLN 48 CO 0.03 -0.09 0.30 0.42 -0.55 0.00 0.00 175.29 175.40 2kwp s ILE 49 N 1.15 5.27 -0.30 -2.34 1.01 -1.26 -1.01 121.20 123.72 2kwp s ILE 49 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 2kwp s ILE 49 Cb -0.14 -3.60 0.05 0.00 0.01 0.00 0.00 42.46 38.77 2kwp s ILE 49 CO -0.02 0.22 0.01 -1.81 0.00 0.00 0.00 174.94 173.33 2kwp s ASP 50 N -2.08 4.89 0.11 3.58 1.01 0.57 -4.90 116.67 119.86 2kwp s ASP 50 Ca 0.33 -1.20 -0.18 0.00 0.71 0.00 0.00 52.55 52.21 2kwp s ASP 50 Cb -0.13 -1.73 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 2kwp s ASP 50 CO 0.21 -0.25 1.65 -0.09 0.21 0.00 0.00 175.17 176.90 2kwp h ARG 51 N 8.03 0.47 0.37 8.23 2.43 -1.95 2.12 114.38 134.09 2kwp h ARG 51 Ca -0.23 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 2kwp h ARG 51 Cb 1.07 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2kwp h ARG 51 CO 0.54 0.49 -0.44 0.87 -1.51 0.00 0.00 179.97 179.93 2kwp h LYS 52 N 0.36 -0.79 -0.41 0.20 6.56 -1.96 -2.83 116.57 117.69 2kwp h LYS 52 Ca 0.10 0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 59.63 2kwp h LYS 52 Cb 0.20 0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 2kwp h LYS 52 CO -0.01 -0.53 -0.20 0.77 -2.06 0.00 0.00 179.45 177.43 2kwp h SER 53 N -0.82 0.88 -0.26 0.86 0.02 -1.98 -3.47 113.55 108.78 2kwp h SER 53 Ca -0.05 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2kwp h SER 53 Cb 0.73 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2kwp h SER 53 CO -0.09 1.09 0.00 0.61 -1.14 0.00 0.00 176.83 177.30 2kwp n GLY 54 N -0.07 1.11 3.29 -3.77 0.00 0.71 -4.40 105.19 102.06 2kwp n GLY 54 Ca -0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 2kwp n GLY 54 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kwp s ASP 55 N -2.36 -0.15 -0.01 1.61 1.47 -0.86 -0.56 116.67 115.81 2kwp s ASP 55 Ca 0.00 -0.38 0.04 0.00 1.18 0.00 0.00 52.55 53.39 2kwp s ASP 55 Cb 0.00 0.44 -0.01 0.00 -0.34 0.00 0.00 42.92 43.01 2kwp s ASP 55 CO 0.00 -0.81 -0.13 0.72 0.68 0.00 0.00 175.17 175.63 2kwp s PHE 56 N -3.73 1.18 0.03 2.11 -0.12 -1.26 0.21 117.98 116.41 2kwp s PHE 56 Ca 0.03 -0.23 0.01 0.00 -0.05 0.00 0.00 56.93 56.69 2kwp s PHE 56 Cb 0.02 -0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 41.62 2kwp s PHE 56 CO -0.11 -0.01 0.07 -0.51 -0.05 0.00 0.00 175.22 174.61 2kwp s ASP 57 N -0.39 5.57 -0.03 1.98 1.01 -0.18 -4.88 116.67 119.76 2kwp s ASP 57 Ca 0.05 0.07 -0.18 0.00 0.71 0.00 0.00 52.55 53.19 2kwp s ASP 57 Cb -0.05 -1.55 -0.05 0.00 1.01 0.00 0.00 42.92 42.28 2kwp s ASP 57 CO -0.00 0.23 0.52 -0.89 0.21 0.00 0.00 175.17 175.24 2kwp s THR 58 N -1.26 4.99 0.07 -1.27 2.01 -1.26 -1.78 115.64 117.13 2kwp s THR 58 Ca 0.25 1.07 0.04 0.00 0.31 0.00 0.00 61.69 63.36 2kwp s THR 58 Cb -0.12 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 2kwp s THR 58 CO 0.17 0.44 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.07 2kwp s PHE 59 N -0.25 0.97 0.01 4.92 0.08 0.14 -1.78 117.98 122.06 2kwp s PHE 59 Ca 0.28 -0.52 0.05 0.00 0.12 0.00 0.00 56.93 56.85 2kwp s PHE 59 Cb -0.17 -0.55 -0.03 0.00 -0.57 0.00 0.00 43.02 41.70 2kwp s PHE 59 CO 0.15 -0.01 -0.11 0.50 -0.10 0.00 0.00 175.22 175.64 2kwp s ARG 60 N -1.91 2.39 0.08 0.44 3.52 0.20 0.16 118.95 123.83 2kwp s ARG 60 Ca -0.04 -0.80 0.05 0.00 -0.13 0.00 0.00 55.73 54.81 2kwp s ARG 60 Cb -0.08 -2.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.89 2kwp s ARG 60 CO 0.01 0.58 -0.12 -0.98 -0.81 0.00 0.00 175.30 173.98 2kwp s ARG 61 N -1.34 0.84 0.04 5.12 1.70 -0.84 -0.56 118.95 123.91 2kwp s ARG 61 Ca 0.16 -1.04 -0.00 0.00 -0.47 0.00 0.00 55.73 54.37 2kwp s ARG 61 Cb -0.11 -0.71 -0.03 0.00 -0.57 0.00 0.00 34.95 33.53 2kwp s ARG 61 CO 0.06 0.14 -0.04 -1.58 -1.08 0.00 0.00 175.30 172.80 2kwp s TRP 62 N -1.77 0.45 -0.13 5.89 0.51 -0.43 -4.48 118.94 118.98 2kwp s TRP 62 Ca 0.01 -0.80 -0.07 0.00 -2.12 0.00 0.00 56.10 53.12 2kwp s TRP 62 Cb -0.07 -0.32 -0.04 0.00 -0.81 0.00 0.00 33.47 32.23 2kwp s TRP 62 CO 0.02 -0.27 0.11 -1.17 -0.51 0.00 0.00 176.95 175.13 2kwp s LEU 63 N -2.25 4.20 0.02 2.99 2.96 -1.23 0.15 118.68 125.52 2kwp s LEU 63 Ca -0.03 0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.93 2kwp s LEU 63 Cb -0.01 -2.03 -0.07 0.00 0.50 0.00 0.00 46.19 44.58 2kwp s LEU 63 CO -0.05 0.35 1.65 -0.69 -1.32 0.00 0.00 176.35 176.28 2kwp s VAL 64 N -0.67 3.30 -0.05 1.68 1.01 0.48 0.86 120.40 127.01 2kwp s VAL 64 Ca 0.13 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.73 2kwp s VAL 64 Cb -0.12 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2kwp s VAL 64 CO 0.02 -0.02 -0.11 0.68 0.00 0.00 0.00 175.10 175.67 2kwp s VAL 65 N 3.21 1.02 0.12 2.92 -7.23 0.40 -2.62 120.40 118.22 2kwp s VAL 65 Ca 0.74 -0.43 0.22 0.00 -1.81 0.00 0.00 61.98 60.69 2kwp s VAL 65 Cb -0.37 -0.93 0.20 0.00 0.56 0.00 0.00 36.38 35.85 2kwp s VAL 65 CO 0.31 0.32 1.78 -0.78 -0.31 0.00 0.00 175.10 176.42 2kwp h ASP 66 N 6.80 0.00 -1.33 4.85 3.58 -1.93 -0.35 116.42 128.05 2kwp h ASP 66 Ca -0.33 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 56.72 2kwp h ASP 66 Cb 1.18 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.83 2kwp h ASP 66 CO 0.48 0.27 -1.18 1.21 -2.88 0.00 0.00 179.24 177.14 2kwp n GLU 67 N -3.42 1.18 -0.93 0.28 2.13 -1.26 -4.76 120.64 113.87 2kwp n GLU 67 Ca 0.00 -3.35 -0.40 0.00 0.66 0.00 0.00 57.16 54.08 2kwp n GLU 67 Cb 0.47 -1.42 -0.07 0.00 0.27 0.00 0.00 31.44 30.69 2kwp n GLU 67 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2kwp n VAL 68 N 0.03 0.00 0.63 6.31 3.14 -1.24 -4.76 118.33 122.43 2kwp n VAL 68 Ca 0.15 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.65 2kwp n VAL 68 Cb 0.76 -0.31 0.24 0.00 -1.06 0.00 0.00 33.84 33.47 2kwp n VAL 68 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2kwp n THR 69 N 3.27 0.36 -3.26 1.55 -2.24 -1.26 -4.69 114.28 108.02 2kwp n THR 69 Ca 0.27 -0.25 -0.04 0.00 -2.27 0.00 0.00 64.05 61.76 2kwp n THR 69 Cb -0.03 -0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 2kwp n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2kwp s GLN 70 N -3.14 0.45 0.00 -0.78 2.00 -1.26 -5.00 119.66 111.93 2kwp s GLN 70 Ca 0.08 0.43 0.12 0.00 -2.00 0.00 0.00 55.36 53.99 2kwp s GLN 70 Cb 0.14 -0.09 0.68 0.00 0.80 0.00 0.00 33.01 34.54 2kwp s GLN 70 CO 0.69 -0.90 1.18 -0.35 -0.50 0.00 0.00 175.29 175.42 2kwp n PRO 71 N 5.38 0.32 0.08 1.67 -0.04 -1.26 -1.25 135.00 139.91 2kwp n PRO 71 Ca 0.00 0.05 -0.07 0.00 -0.04 0.00 0.00 63.50 63.45 2kwp n PRO 71 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2kwp n PRO 71 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2kwp h THR 72 N 0.00 1.60 0.00 0.52 1.35 -1.88 -3.36 112.91 111.15 2kwp h THR 72 Ca 0.00 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.90 2kwp h THR 72 Cb 0.03 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2kwp h THR 72 CO 0.00 0.85 -0.21 0.29 -0.25 0.00 0.00 175.52 176.20 2kwp n LYS 73 N -3.52 0.38 -3.81 4.72 5.02 -1.07 -3.26 118.16 116.63 2kwp n LYS 73 Ca -0.01 -1.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.15 2kwp n LYS 73 Cb 0.85 -0.64 -0.14 0.00 -0.02 0.00 0.00 35.03 35.08 2kwp n LYS 73 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2kwp s GLU 74 N -0.36 0.05 -0.11 1.97 2.02 -0.38 -3.47 118.70 118.42 2kwp s GLU 74 Ca 0.03 0.16 -0.00 0.00 0.02 0.00 0.00 54.97 55.18 2kwp s GLU 74 Cb 0.03 -0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.16 2kwp s GLU 74 CO 0.00 -0.08 -0.09 -1.50 0.02 0.00 0.00 175.26 173.61 2kwp s ILE 75 N 0.50 3.45 0.79 -1.63 2.07 0.25 -3.98 121.20 122.65 2kwp s ILE 75 Ca -0.04 -0.55 -0.12 0.00 -1.41 0.00 0.00 60.65 58.54 2kwp s ILE 75 Cb -0.06 -2.44 0.07 0.00 0.13 0.00 0.00 42.46 40.17 2kwp s ILE 75 CO -0.02 0.55 1.14 0.42 -1.91 0.00 0.00 174.94 175.12 2kwp s THR 76 N -0.16 2.68 0.17 4.00 -4.23 -1.26 0.15 115.64 117.00 2kwp s THR 76 Ca 0.01 0.26 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 2kwp s THR 76 Cb -0.13 -2.61 0.07 0.00 1.34 0.00 0.00 72.50 71.17 2kwp s THR 76 CO 0.03 -0.25 1.75 0.25 -0.54 0.00 0.00 174.62 175.86 2kwp h LEU 77 N -1.04 0.17 -0.26 4.79 5.85 -1.35 -0.76 115.31 122.71 2kwp h LEU 77 Ca -0.45 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.36 2kwp h LEU 77 Cb 1.26 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 2kwp h LEU 77 CO 0.48 0.13 0.04 -0.08 -0.34 0.00 0.00 178.44 178.67 2kwp h GLU 78 N 0.33 0.13 -0.88 1.25 4.81 -1.91 -1.38 114.58 116.94 2kwp h GLU 78 Ca 0.21 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 2kwp h GLU 78 Cb 0.21 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 2kwp h GLU 78 CO -0.22 0.09 0.55 0.00 -0.73 0.00 0.00 179.01 178.70 2kwp h ALA 79 N 1.19 1.20 -0.88 2.92 0.00 -1.73 -0.86 119.26 121.11 2kwp h ALA 79 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kwp h ALA 79 Cb 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2kwp h ALA 79 CO -0.17 0.31 0.55 0.00 0.00 0.00 0.00 179.25 179.94 2kwp h ALA 80 N 1.41 1.32 -0.56 0.00 0.00 -0.22 -1.94 119.26 119.28 2kwp h ALA 80 Ca 0.38 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2kwp h ALA 80 Cb 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2kwp h ALA 80 CO -0.17 0.60 0.23 0.00 0.00 0.00 0.00 179.25 179.91 2kwp h ARG 81 N 1.20 0.83 -0.85 0.00 -0.00 -0.15 0.50 114.38 115.90 2kwp h ARG 81 Ca 0.32 -0.15 0.01 0.00 -0.50 0.00 0.00 59.98 59.66 2kwp h ARG 81 Cb -0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 29.97 29.70 2kwp h ARG 81 CO -0.06 0.71 0.56 1.88 0.00 0.00 0.00 179.97 183.06 2kwp h TYR 82 N 0.76 1.08 0.00 3.04 0.05 -0.72 -2.05 116.97 119.13 2kwp h TYR 82 Ca 0.19 0.02 -0.20 0.00 0.05 0.00 0.00 58.73 58.79 2kwp h TYR 82 Cb 0.19 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 2kwp h TYR 82 CO 0.01 0.68 -0.89 0.93 -1.05 0.00 0.00 178.16 177.84 2kwp h GLU 83 N 1.16 0.22 -0.30 4.88 4.39 -0.96 -3.44 114.58 120.53 2kwp h GLU 83 Ca 0.31 -0.24 0.22 0.00 0.34 0.00 0.00 59.36 59.99 2kwp h GLU 83 Cb -0.13 0.07 -0.20 0.00 -0.10 0.00 0.00 28.75 28.39 2kwp h GLU 83 CO -0.07 0.97 0.03 -0.51 -1.16 0.00 0.00 179.01 178.28 2kwp s ASP 84 N -6.95 -0.46 0.65 1.42 1.01 0.17 -4.99 116.67 107.52 2kwp s ASP 84 Ca -0.03 0.13 0.26 0.00 0.71 0.00 0.00 52.55 53.62 2kwp s ASP 84 Cb 0.10 1.32 1.39 0.00 1.01 0.00 0.00 42.92 46.74 2kwp s ASP 84 CO 0.83 -0.08 1.79 -0.08 0.21 0.00 0.00 175.17 177.84 2kwp h GLU 85 N 7.56 0.00 0.00 8.23 4.81 -1.53 0.90 114.58 134.55 2kwp h GLU 85 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 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 -0.09 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.06 2kwp n SER 86 N -3.05 0.26 -4.78 1.04 3.41 -1.26 -4.69 113.62 104.55 2kwp n SER 86 Ca 0.01 0.57 -0.37 0.00 -0.26 0.00 0.00 58.87 58.83 2kwp n SER 86 Cb 0.55 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 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 -3.60 4.29 0.36 1.04 1.43 0.31 -5.05 118.68 117.46 2kwp s LEU 87 Ca 0.05 1.94 0.06 0.00 -1.03 0.00 0.00 54.13 55.15 2kwp s LEU 87 Cb 0.08 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 2kwp s LEU 87 CO 0.27 -0.21 0.24 0.20 0.23 0.00 0.00 176.35 177.08 2kwp s ASN 88 N -1.54 2.10 0.10 2.29 0.01 -1.26 -4.72 114.94 111.92 2kwp s ASN 88 Ca 0.52 -1.76 -0.31 0.00 -0.71 0.00 0.00 52.86 50.61 2kwp s ASN 88 Cb -0.21 0.57 -0.09 0.00 0.41 0.00 0.00 41.25 41.94 2kwp s ASN 88 CO 0.26 -1.04 1.67 -0.22 -1.51 0.00 0.00 177.10 176.26 2kwp s LEU 89 N -3.46 4.37 0.00 0.60 1.98 -1.26 -1.48 118.68 119.43 2kwp s LEU 89 Ca 0.35 2.57 0.00 0.00 -2.89 0.00 0.00 54.13 54.15 2kwp s LEU 89 Cb 0.02 -3.57 0.00 0.00 0.66 0.00 0.00 46.19 43.30 2kwp s LEU 89 CO 0.24 -0.90 0.00 0.61 -1.89 0.00 0.00 176.35 174.41 2kwp n GLY 90 N 4.00 0.64 4.00 7.98 0.00 -1.08 -4.99 105.19 115.73 2kwp n GLY 90 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.92 4.25 -0.06 1.61 1.01 -0.55 -4.79 116.67 115.21 2kwp s ASP 91 Ca 0.00 -0.42 0.03 0.00 0.71 0.00 0.00 52.55 52.87 2kwp s ASP 91 Cb 0.00 0.10 0.01 0.00 1.01 0.00 0.00 42.92 44.04 2kwp s ASP 91 CO 0.00 -1.94 -0.16 -0.31 0.21 0.00 0.00 175.17 172.97 2kwp s TYR 92 N -3.18 1.75 0.14 4.23 2.02 -1.26 -0.38 117.35 120.67 2kwp s TYR 92 Ca 0.67 -0.62 -0.09 0.00 -0.37 0.00 0.00 57.07 56.66 2kwp s TYR 92 Cb -0.05 -1.22 -0.06 0.00 -0.40 0.00 0.00 41.96 40.23 2kwp s TYR 92 CO 0.45 -0.27 0.44 0.08 -1.57 0.00 0.00 175.55 174.68 2kwp s VAL 93 N 0.40 5.06 0.07 0.71 1.01 0.40 -4.86 120.40 123.18 2kwp s VAL 93 Ca -0.12 0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.33 2kwp s VAL 93 Cb -0.15 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2kwp s VAL 93 CO 0.04 0.14 -0.24 -1.61 0.00 0.00 0.00 175.10 173.43 2kwp s GLU 94 N -2.31 1.53 -0.05 2.72 2.02 -1.26 -1.31 118.70 120.04 2kwp s GLU 94 Ca 0.39 -1.12 -0.25 0.00 0.02 0.00 0.00 54.97 54.01 2kwp s GLU 94 Cb -0.13 -1.77 0.05 0.00 0.10 0.00 0.00 34.13 32.39 2kwp s GLU 94 CO 0.21 0.44 0.55 0.34 0.02 0.00 0.00 175.26 176.81 2kwp s ASP 95 N -1.46 -0.49 0.01 -0.19 2.15 0.27 -4.98 116.67 111.98 2kwp s ASP 95 Ca 0.10 0.52 -0.18 0.00 0.43 0.00 0.00 52.55 53.43 2kwp s ASP 95 Cb -0.10 0.50 -0.06 0.00 -0.30 0.00 0.00 42.92 42.96 2kwp s ASP 95 CO 0.03 -0.53 0.50 -1.10 -0.17 0.00 0.00 175.17 173.90 2kwp s GLN 96 N -1.15 4.13 0.18 4.34 -0.21 -1.26 0.61 119.66 126.30 2kwp s GLN 96 Ca -0.11 0.57 0.04 0.00 0.02 0.00 0.00 55.36 55.88 2kwp s GLN 96 Cb -0.02 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.67 2kwp s GLN 96 CO 0.07 0.55 -0.06 0.96 -2.12 0.00 0.00 175.29 174.70 2kwp s ILE 97 N -0.71 1.10 0.52 1.08 -4.36 -0.74 -4.81 121.20 113.29 2kwp s ILE 97 Ca 0.27 -2.05 -0.20 0.00 -0.26 0.00 0.00 60.65 58.41 2kwp s ILE 97 Cb -0.18 -2.08 -0.09 0.00 1.25 0.00 0.00 42.46 41.36 2kwp s ILE 97 CO 0.15 -0.55 0.63 -0.62 0.24 0.00 0.00 174.94 174.79 2kwp n GLU 98 N -0.30 0.66 -4.34 0.37 1.02 -1.26 -4.28 120.64 112.52 2kwp n GLU 98 Ca -0.08 0.25 -0.24 0.00 -0.02 0.00 0.00 57.16 57.07 2kwp n GLU 98 Cb 0.62 -1.74 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 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 -1.08 4.22 0.11 1.62 1.04 -1.26 -4.64 113.70 113.71 2kwp s SER 99 Ca 0.68 -0.72 -0.11 0.00 0.48 0.00 0.00 55.95 56.28 2kwp s SER 99 Cb -0.49 -0.67 -0.06 0.00 0.10 0.00 0.00 66.02 64.90 2kwp s SER 99 CO 0.55 0.04 0.44 0.54 0.98 0.00 0.00 173.24 175.79 2kwp s VAL 100 N -2.18 5.04 0.68 5.02 0.11 -1.26 -5.01 120.40 122.79 2kwp s VAL 100 Ca 0.29 0.51 -0.11 0.00 -2.93 0.00 0.00 61.98 59.74 2kwp s VAL 100 Cb -0.07 -3.66 -0.00 0.00 -1.53 0.00 0.00 36.38 31.12 2kwp s VAL 100 CO 0.17 0.24 1.07 0.42 -3.33 0.00 0.00 175.10 173.67 2kwp s THR 101 N -1.45 3.98 -0.39 5.04 -4.23 -1.26 -5.01 115.64 112.33 2kwp s THR 101 Ca 0.35 0.64 0.10 0.00 -1.18 0.00 0.00 61.69 61.61 2kwp s THR 101 Cb -0.14 -3.58 0.44 0.00 1.34 0.00 0.00 72.50 70.56 2kwp s THR 101 CO 0.19 -0.84 1.05 0.33 -0.54 0.00 0.00 174.62 174.80 2kwp n PHE 102 N -2.97 2.47 -0.23 3.99 7.35 -1.26 -4.88 117.46 121.93 2kwp n PHE 102 Ca 0.07 -2.96 0.03 0.00 -0.76 0.00 0.00 57.45 53.82 2kwp n PHE 102 Cb 0.55 -0.21 0.15 0.00 0.35 0.00 0.00 39.48 40.32 2kwp n PHE 102 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2kwp h ASP 103 N 2.74 0.12 -3.00 -2.13 3.32 -2.01 -3.38 116.42 112.08 2kwp h ASP 103 Ca 0.14 0.11 -0.54 0.00 0.02 0.00 0.00 57.03 56.76 2kwp h ASP 103 Cb 1.04 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2kwp h ASP 103 CO 0.70 0.05 0.74 -0.13 -1.72 0.00 0.00 179.24 178.88 2kwp s ARG 104 N -6.07 4.33 0.24 3.56 0.52 -1.26 -4.90 118.95 115.37 2kwp s ARG 104 Ca -0.13 1.90 -0.03 0.00 -0.52 0.00 0.00 55.73 56.96 2kwp s ARG 104 Cb 0.19 -3.47 0.28 0.00 0.52 0.00 0.00 34.95 32.47 2kwp s ARG 104 CO 0.75 -0.47 1.71 0.82 0.02 0.00 0.00 175.30 178.13 2kwp h ILE 105 N 4.75 1.25 -4.53 1.52 2.04 -1.94 -3.43 117.51 117.18 2kwp h ILE 105 Ca -0.39 -1.13 -0.66 0.00 1.00 0.00 0.00 64.86 63.69 2kwp h ILE 105 Cb 1.19 1.01 -0.30 0.00 -0.74 0.00 0.00 36.82 37.98 2kwp h ILE 105 CO 0.88 0.39 -0.87 -0.89 0.00 0.00 0.00 178.15 177.65 2kwp s THR 106 N -4.83 1.86 -0.01 -0.27 2.01 -1.26 -4.80 115.64 108.34 2kwp s THR 106 Ca -0.09 -1.01 0.05 0.00 0.31 0.00 0.00 61.69 60.95 2kwp s THR 106 Cb 0.14 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 2kwp s THR 106 CO 0.82 0.52 -0.17 -0.89 -0.69 0.00 0.00 174.62 174.21 2kwp s THR 107 N -0.56 1.35 0.38 -0.82 2.01 -1.26 -5.02 115.64 111.73 2kwp s THR 107 Ca 0.09 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.40 2kwp s THR 107 Cb -0.09 -1.13 0.26 0.00 0.01 0.00 0.00 72.50 71.55 2kwp s THR 107 CO -0.01 0.38 2.03 -0.61 -0.69 0.00 0.00 174.62 175.72 2kwp h GLN 108 N 5.70 0.66 -0.06 4.92 4.15 -2.00 0.74 115.11 129.22 2kwp h GLN 108 Ca -0.37 -0.04 -0.23 0.00 0.77 0.00 0.00 58.65 58.78 2kwp h GLN 108 Cb 1.15 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 28.70 2kwp h GLN 108 CO 0.48 0.44 -0.89 1.15 -1.93 0.00 0.00 178.83 178.09 2kwp h THR 109 N 0.68 1.33 0.01 2.39 2.02 -2.00 -2.54 112.91 114.80 2kwp h THR 109 Ca 0.18 -2.20 -0.22 0.00 0.77 0.00 0.00 66.41 64.94 2kwp h THR 109 Cb -0.07 2.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.57 2kwp h THR 109 CO -0.04 0.68 -0.93 0.00 0.37 0.00 0.00 175.52 175.59 2kwp h ALA 110 N 0.63 0.42 -0.16 6.16 0.00 -1.75 -3.14 119.26 121.42 2kwp h ALA 110 Ca -0.08 -0.73 -0.09 0.00 0.00 0.00 0.00 54.91 54.01 2kwp h ALA 110 Cb 1.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2kwp h ALA 110 CO 0.17 0.88 -0.32 -0.22 0.00 0.00 0.00 179.25 179.76 2kwp h LYS 111 N 0.16 0.32 0.00 0.00 3.64 0.45 -2.17 116.57 118.97 2kwp h LYS 111 Ca -0.07 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 2kwp h LYS 111 Cb 1.57 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 2kwp h LYS 111 CO 0.15 0.61 -0.37 0.37 -2.27 0.00 0.00 179.45 177.94 2kwp h GLN 112 N 0.28 0.00 0.13 1.90 4.15 -1.43 -1.47 115.11 118.67 2kwp h GLN 112 Ca 0.04 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.17 2kwp h GLN 112 Cb 0.70 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.42 2kwp h GLN 112 CO 0.05 0.37 -1.24 0.28 -1.93 0.00 0.00 178.83 176.36 2kwp h VAL 113 N 0.00 1.34 -0.12 2.39 2.07 -1.39 -2.24 116.25 118.29 2kwp h VAL 113 Ca -0.00 -2.60 -0.05 0.00 0.82 0.00 0.00 66.70 64.87 2kwp h VAL 113 Cb 0.74 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 33.27 2kwp h VAL 113 CO 0.05 0.78 -0.10 0.40 0.02 0.00 0.00 177.57 178.72 2kwp h ILE 114 N 0.22 1.34 -0.15 4.57 2.04 -1.24 -0.62 117.51 123.67 2kwp h ILE 114 Ca -0.18 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.46 2kwp h ILE 114 Cb 1.92 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.87 2kwp h ILE 114 CO 0.23 0.35 0.07 1.62 0.00 0.00 0.00 178.15 180.42 2kwp h VAL 115 N -0.09 1.14 -0.08 1.67 3.04 -1.37 0.34 116.25 120.90 2kwp h VAL 115 Ca 0.02 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2kwp h VAL 115 Cb 0.60 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 2kwp h VAL 115 CO 0.03 0.13 0.05 -0.61 -1.01 0.00 0.00 177.57 176.16 2kwp h GLN 116 N 0.11 0.10 -0.49 4.17 4.15 -1.42 -1.57 115.11 120.16 2kwp h GLN 116 Ca 0.05 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 2kwp h GLN 116 Cb 0.15 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2kwp h GLN 116 CO -0.01 0.07 0.08 0.87 -1.93 0.00 0.00 178.83 177.92 2kwp h LYS 117 N 0.10 0.77 -0.86 1.69 1.57 -0.97 -2.44 116.57 116.44 2kwp h LYS 117 Ca 0.03 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2kwp h LYS 117 Cb -0.01 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 2kwp h LYS 117 CO -0.01 0.73 0.52 0.28 -0.57 0.00 0.00 179.45 180.40 2kwp h VAL 118 N 0.74 1.24 -0.13 0.50 2.07 0.21 -1.61 116.25 119.27 2kwp h VAL 118 Ca 0.16 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 2kwp h VAL 118 Cb 0.33 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2kwp h VAL 118 CO 0.00 0.25 -0.20 0.03 0.02 0.00 0.00 177.57 177.67 2kwp h ARG 119 N 1.18 0.22 -0.04 1.57 3.08 -0.81 -2.17 114.38 117.41 2kwp h ARG 119 Ca 0.31 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 2kwp h ARG 119 Cb -0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2kwp h ARG 119 CO -0.06 0.41 -0.15 0.93 -1.07 0.00 0.00 179.97 180.04 2kwp h GLU 120 N 0.20 0.06 -0.48 0.04 4.39 -1.10 -2.64 114.58 115.04 2kwp h GLU 120 Ca 0.04 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.80 2kwp h GLU 120 Cb 0.47 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 2kwp h GLU 120 CO 0.03 0.21 0.12 0.00 -1.16 0.00 0.00 179.01 178.21 2kwp h ALA 121 N 1.80 0.55 0.00 3.43 0.00 -1.28 0.10 119.26 123.86 2kwp h ALA 121 Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2kwp h ALA 121 Cb 0.30 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kwp h ALA 121 CO 0.02 -0.29 -0.11 1.49 0.00 0.00 0.00 179.25 180.36 2kwp h GLU 122 N 0.26 0.00 -0.58 0.00 4.81 -1.59 -1.73 114.58 115.75 2kwp h GLU 122 Ca 0.24 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.59 2kwp h GLU 122 Cb 0.30 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 2kwp h GLU 122 CO -0.29 0.11 0.40 -0.09 -0.73 0.00 0.00 179.01 178.41 2kwp h ARG 123 N 0.00 0.24 -6.23 1.92 2.43 -0.77 -3.43 114.38 108.55 2kwp h ARG 123 Ca -0.00 -0.01 -0.61 0.00 -0.81 0.00 0.00 59.98 58.54 2kwp h ARG 123 Cb 0.21 -0.05 0.15 0.00 -0.42 0.00 0.00 29.97 29.85 2kwp h ARG 123 CO 0.01 0.16 -0.59 0.00 -1.51 0.00 0.00 179.97 178.05 2kwp n ALA 124 N -2.56 -1.99 -0.01 2.80 0.00 -0.65 -4.79 120.51 113.29 2kwp n ALA 124 Ca 0.10 0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.73 2kwp n ALA 124 Cb 0.48 -1.68 0.43 0.00 0.00 0.00 0.00 19.45 18.68 2kwp n ALA 124 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2kwp h MET 125 N 0.61 0.54 -6.63 0.00 2.86 -1.90 -3.40 114.93 107.00 2kwp h MET 125 Ca -0.39 -0.03 -0.51 0.00 -2.06 0.00 0.00 59.70 56.71 2kwp h MET 125 Cb 1.42 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 2kwp h MET 125 CO 0.50 0.36 0.33 -0.51 1.06 0.00 0.00 176.91 178.65 2kwp s LEU 126 N -9.50 4.57 -0.45 1.22 1.43 -1.26 -5.02 118.68 109.67 2kwp s LEU 126 Ca -0.08 1.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 2kwp s LEU 126 Cb 0.18 -3.56 0.13 0.00 0.03 0.00 0.00 46.19 42.97 2kwp s LEU 126 CO 0.73 0.06 0.24 -0.69 0.23 0.00 0.00 176.35 176.93 2kwp s VAL 127 N -0.64 1.65 0.23 -1.59 1.01 -1.26 -4.93 120.40 114.87 2kwp s VAL 127 Ca 0.43 -2.69 0.24 0.00 0.00 0.00 0.00 61.98 59.96 2kwp s VAL 127 Cb -0.24 -2.15 0.23 0.00 0.00 0.00 0.00 36.38 34.21 2kwp s VAL 127 CO 0.30 -0.87 1.88 1.55 0.00 0.00 0.00 175.10 177.97 2kwp h PRO 128 N 6.71 0.00 0.00 2.72 0.13 -1.97 -3.55 132.00 136.05 2kwp h PRO 128 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2kwp h PRO 128 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2kwp h PRO 128 CO 0.53 0.22 0.00 0.54 -0.23 0.00 0.00 178.00 179.06