#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 6.01 0.48 7.83 3.84 0.12 -4.92 114.94 128.30 2kwp s ASN 2 Ca 0.00 -0.58 0.25 0.00 0.21 0.00 0.00 52.86 52.74 2kwp s ASN 2 Cb 0.00 -2.13 1.19 0.00 -0.55 0.00 0.00 41.25 39.77 2kwp s ASN 2 CO 0.00 -0.29 1.96 0.50 -2.79 0.00 0.00 177.10 176.48 2kwp h LYS 3 N 8.51 0.00 -0.75 0.43 3.64 -1.89 -2.65 116.57 123.86 2kwp h LYS 3 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2kwp h LYS 3 Cb 1.14 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 2kwp h LYS 3 CO 0.66 0.19 0.48 1.49 -2.27 0.00 0.00 179.45 179.99 2kwp h GLU 4 N 0.00 1.00 -0.74 1.90 4.81 -1.91 -1.41 114.58 118.23 2kwp h GLU 4 Ca -0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2kwp h GLU 4 Cb 0.51 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2kwp h GLU 4 CO 0.02 0.68 0.37 0.82 -0.73 0.00 0.00 179.01 180.18 2kwp h ILE 5 N 1.03 1.23 -0.02 2.32 2.04 -1.77 -0.84 117.51 121.50 2kwp h ILE 5 Ca 0.27 -0.63 -0.14 0.00 1.00 0.00 0.00 64.86 65.36 2kwp h ILE 5 Cb -0.08 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 2kwp h ILE 5 CO -0.06 0.27 -0.65 -0.07 0.00 0.00 0.00 178.15 177.64 2kwp h LEU 6 N 1.05 0.08 -0.32 1.44 3.38 -1.42 -2.91 115.31 116.60 2kwp h LEU 6 Ca 0.26 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 2kwp h LEU 6 Cb 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kwp h LEU 6 CO -0.04 0.71 -0.60 0.00 0.09 0.00 0.00 178.44 178.60 2kwp h ALA 7 N 1.29 0.49 -0.11 1.53 0.00 -0.55 -2.93 119.26 118.98 2kwp h ALA 7 Ca -0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 2kwp h ALA 7 Cb 1.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2kwp h ALA 7 CO 0.09 0.69 -0.23 -0.24 0.00 0.00 0.00 179.25 179.56 2kwp h VAL 8 N 0.58 1.22 -0.05 0.00 3.04 -1.13 -2.23 116.25 117.68 2kwp h VAL 8 Ca -0.00 -1.00 -0.11 0.00 -1.01 0.00 0.00 66.70 64.58 2kwp h VAL 8 Cb 1.20 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.85 2kwp h VAL 8 CO 0.13 0.30 -0.47 0.58 -1.01 0.00 0.00 177.57 177.09 2kwp h VAL 9 N 0.17 1.34 -0.06 1.51 2.07 -1.38 -2.79 116.25 117.11 2kwp h VAL 9 Ca 0.03 -1.66 -0.12 0.00 0.82 0.00 0.00 66.70 65.77 2kwp h VAL 9 Cb 0.50 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2kwp h VAL 9 CO 0.03 0.48 -0.52 -0.08 0.02 0.00 0.00 177.57 177.51 2kwp h GLU 10 N 0.10 0.18 -0.03 1.57 4.81 -1.23 -1.83 114.58 118.15 2kwp h GLU 10 Ca 0.00 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.01 2kwp h GLU 10 Cb 0.88 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2kwp h GLU 10 CO 0.07 0.65 -0.55 0.00 -0.73 0.00 0.00 179.01 178.45 2kwp h ALA 11 N 1.33 1.03 0.02 2.92 0.00 -1.28 -2.40 119.26 120.88 2kwp h ALA 11 Ca 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 2kwp h ALA 11 Cb 0.96 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2kwp h ALA 11 CO 0.08 0.69 -1.11 0.28 0.00 0.00 0.00 179.25 179.19 2kwp h VAL 12 N 0.07 1.60 -0.19 0.00 2.07 -1.33 -3.05 116.25 115.41 2kwp h VAL 12 Ca -0.00 -3.30 -0.17 0.00 0.82 0.00 0.00 66.70 64.05 2kwp h VAL 12 Cb 1.00 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.58 2kwp h VAL 12 CO 0.08 0.92 -0.58 0.28 0.02 0.00 0.00 177.57 178.28 2kwp h SER 13 N 0.01 0.70 -0.05 0.57 0.02 -1.21 -0.57 113.55 113.01 2kwp h SER 13 Ca -0.06 -0.39 -0.14 0.00 -0.84 0.00 0.00 61.79 60.36 2kwp h SER 13 Cb 1.83 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 64.16 2kwp h SER 13 CO 0.14 1.12 -0.44 -1.13 -1.14 0.00 0.00 176.83 175.38 2kwp h ASN 14 N 0.47 0.64 0.12 3.07 -1.24 -1.50 2.13 115.58 119.26 2kwp h ASN 14 Ca 0.00 -0.30 -0.26 0.00 0.71 0.00 0.00 56.30 56.45 2kwp h ASN 14 Cb 1.15 -0.18 0.03 0.00 0.73 0.00 0.00 38.32 40.04 2kwp h ASN 14 CO 0.11 0.99 -1.10 -0.33 -1.29 0.00 0.00 177.43 175.81 2kwp h GLU 15 N 0.48 0.53 -0.21 6.67 4.39 -1.47 -3.33 114.58 121.64 2kwp h GLU 15 Ca 0.03 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 59.00 2kwp h GLU 15 Cb 0.96 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2kwp h GLU 15 CO 0.09 1.33 0.00 1.63 -1.16 0.00 0.00 179.01 180.89 2kwp n LYS 16 N -3.91 1.91 -1.98 2.33 5.02 -0.23 -4.93 118.16 116.37 2kwp n LYS 16 Ca -0.14 -1.83 -0.05 0.00 -2.02 0.00 0.00 58.31 54.27 2kwp n LYS 16 Cb 0.93 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 34.56 2kwp n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kwp n ALA 17 N 1.02 -0.60 -2.14 7.82 0.00 0.72 -4.88 120.51 122.45 2kwp n ALA 17 Ca 0.13 0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 2kwp n ALA 17 Cb 0.47 -0.84 0.01 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 -4.30 3.44 0.44 0.00 1.43 -1.21 -5.00 118.68 113.48 2kwp s LEU 18 Ca 0.00 0.96 -0.24 0.00 -1.03 0.00 0.00 54.13 53.82 2kwp s LEU 18 Cb 0.00 -3.89 -0.08 0.00 0.03 0.00 0.00 46.19 42.25 2kwp s LEU 18 CO 0.00 -0.78 1.19 -2.16 0.23 0.00 0.00 176.35 174.84 2kwp s PRO 19 N -4.90 3.81 0.27 1.29 0.04 -1.26 -4.64 135.00 129.62 2kwp s PRO 19 Ca 0.51 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 2kwp s PRO 19 Cb -0.10 -2.50 0.46 0.00 0.04 0.00 0.00 34.50 32.40 2kwp s PRO 19 CO 0.47 -0.53 1.86 0.00 0.04 0.00 0.00 177.00 178.84 2kwp h ARG 20 N 2.22 1.07 -0.30 4.56 3.08 -1.96 -1.83 114.38 121.22 2kwp h ARG 20 Ca -0.49 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 59.55 2kwp h ARG 20 Cb 1.25 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 2kwp h ARG 20 CO 0.61 0.71 -0.06 1.49 -1.07 0.00 0.00 179.97 181.64 2kwp h GLU 21 N 1.10 0.02 -0.43 0.04 4.81 -2.00 -1.18 114.58 116.94 2kwp h GLU 21 Ca 0.46 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.75 2kwp h GLU 21 Cb 0.30 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 2kwp h GLU 21 CO -0.21 0.01 0.12 -0.22 -0.73 0.00 0.00 179.01 177.98 2kwp h LYS 22 N 0.02 0.26 -0.13 1.92 1.63 -1.72 -2.01 116.57 116.53 2kwp h LYS 22 Ca 0.14 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.96 2kwp h LYS 22 Cb 0.21 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 2kwp h LYS 22 CO -0.29 0.17 -0.10 0.82 -3.45 0.00 0.00 179.45 176.60 2kwp h ILE 23 N 0.26 0.71 -0.82 2.00 2.04 -1.03 -0.07 117.51 120.60 2kwp h ILE 23 Ca 0.20 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.26 2kwp h ILE 23 Cb 0.23 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2kwp h ILE 23 CO -0.24 0.00 0.56 -0.26 0.00 0.00 0.00 178.15 178.21 2kwp h PHE 24 N -0.11 0.36 -0.76 1.37 0.04 -0.62 0.19 116.94 117.41 2kwp h PHE 24 Ca 0.09 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2kwp h PHE 24 Cb 0.23 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 2kwp h PHE 24 CO -0.23 0.11 0.43 0.93 -0.60 0.00 0.00 178.31 178.95 2kwp h GLU 25 N 0.28 1.06 -0.19 1.51 5.08 -0.32 0.14 114.58 122.15 2kwp h GLU 25 Ca 0.41 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 2kwp h GLU 25 Cb 1.18 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 2kwp h GLU 25 CO -0.11 0.78 -0.10 0.00 -1.00 0.00 0.00 179.01 178.57 2kwp h ALA 26 N 1.22 0.26 -0.24 3.43 0.00 -0.41 -2.18 119.26 121.35 2kwp h ALA 26 Ca 0.27 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kwp h ALA 26 Cb 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2kwp h ALA 26 CO -0.04 0.10 0.04 -0.07 0.00 0.00 0.00 179.25 179.27 2kwp h LEU 27 N 0.08 -0.01 -0.50 0.00 3.38 -1.02 -1.79 115.31 115.44 2kwp h LEU 27 Ca 0.04 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2kwp h LEU 27 Cb 0.60 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 2kwp h LEU 27 CO 0.03 0.03 0.22 -0.33 0.09 0.00 0.00 178.44 178.48 2kwp h GLU 28 N 0.13 0.42 -0.68 1.13 5.08 -0.93 0.10 114.58 119.82 2kwp h GLU 28 Ca 0.11 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 2kwp h GLU 28 Cb 0.11 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2kwp h GLU 28 CO -0.15 0.28 0.45 0.77 -1.00 0.00 0.00 179.01 179.36 2kwp h SER 29 N 0.43 0.48 0.03 1.42 0.02 -0.71 0.24 113.55 115.46 2kwp h SER 29 Ca 0.23 0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.96 2kwp h SER 29 Cb 0.20 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 62.67 2kwp h SER 29 CO -0.20 0.29 -0.94 0.00 -1.14 0.00 0.00 176.83 174.84 2kwp h ALA 30 N 1.66 0.07 0.09 3.77 0.00 -0.23 -1.85 119.26 122.76 2kwp h ALA 30 Ca 0.32 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kwp h ALA 30 Cb 0.53 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kwp h ALA 30 CO -0.10 0.56 -0.04 -0.07 0.00 0.00 0.00 179.25 179.59 2kwp h LEU 31 N 0.17 -0.10 -0.34 0.00 -0.00 0.07 0.15 115.31 115.25 2kwp h LEU 31 Ca -0.13 -0.29 -0.00 0.00 -0.00 0.00 0.00 57.88 57.46 2kwp h LEU 31 Cb 1.62 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 42.29 2kwp h LEU 31 CO 0.18 0.25 0.20 0.00 -0.00 0.00 0.00 178.44 179.07 2kwp h ALA 32 N 0.41 0.44 -0.40 1.53 0.00 -0.67 1.53 119.26 122.10 2kwp h ALA 32 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2kwp h ALA 32 Cb 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kwp h ALA 32 CO 0.02 -0.05 0.17 1.15 0.00 0.00 0.00 179.25 180.54 2kwp h THR 33 N 0.44 1.19 0.00 0.00 2.02 -1.32 -0.86 112.91 114.38 2kwp h THR 33 Ca 0.12 -0.58 -0.15 0.00 0.77 0.00 0.00 66.41 66.58 2kwp h THR 33 Cb 0.04 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2kwp h THR 33 CO -0.02 0.21 -0.70 0.00 0.37 0.00 0.00 175.52 175.38 2kwp h ALA 34 N 1.01 0.79 -0.10 6.16 0.00 -0.42 -2.89 119.26 123.82 2kwp h ALA 34 Ca 0.13 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2kwp h ALA 34 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kwp h ALA 34 CO -0.01 0.87 -0.02 1.15 0.00 0.00 0.00 179.25 181.25 2kwp h THR 35 N 0.00 1.28 0.00 0.00 2.02 0.25 -2.78 112.91 113.69 2kwp h THR 35 Ca -0.01 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 2kwp h THR 35 Cb 1.28 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2kwp h THR 35 CO 0.09 0.26 -0.15 0.07 0.37 0.00 0.00 175.52 176.15 2kwp h LYS 36 N -0.13 0.00 -0.42 6.66 2.10 -1.20 -2.05 116.57 121.54 2kwp h LYS 36 Ca 0.03 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.72 2kwp h LYS 36 Cb 0.41 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.71 2kwp h LYS 36 CO 0.01 0.15 0.28 0.87 -2.00 0.00 0.00 179.45 178.76 2kwp h LYS 37 N 0.00 0.37 -0.59 0.07 1.57 -1.27 -1.50 116.57 115.23 2kwp h LYS 37 Ca -0.00 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2kwp h LYS 37 Cb 0.32 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2kwp h LYS 37 CO 0.02 0.25 0.38 -0.22 -0.57 0.00 0.00 179.45 179.31 2kwp h LYS 38 N 0.38 0.76 -0.04 3.15 3.64 -1.37 -1.91 116.57 121.19 2kwp h LYS 38 Ca 0.18 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 2kwp h LYS 38 Cb 0.23 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2kwp h LYS 38 CO -0.04 0.50 -0.49 1.88 -2.27 0.00 0.00 179.45 179.03 2kwp h TYR 39 N 0.78 0.11 -0.24 1.91 -1.99 -1.42 -3.46 116.97 112.67 2kwp h TYR 39 Ca 0.22 -0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.81 2kwp h TYR 39 Cb -0.08 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.59 2kwp h TYR 39 CO -0.04 0.57 -0.09 0.39 -0.00 0.00 0.00 178.16 178.99 2kwp n GLU 40 N -3.95 -1.63 -0.67 4.88 1.02 -0.72 -4.79 120.64 114.77 2kwp n GLU 40 Ca -0.02 0.63 0.08 0.00 -0.02 0.00 0.00 57.16 57.83 2kwp n GLU 40 Cb 0.52 -4.94 0.34 0.00 -0.02 0.00 0.00 31.44 27.34 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 -0.28 3.99 -3.89 3.49 6.02 -1.26 -4.94 117.38 120.50 2kwp n GLN 41 Ca -0.05 -2.97 -0.27 0.00 -0.01 0.00 0.00 57.00 53.70 2kwp n GLN 41 Cb 0.48 -2.03 -0.01 0.00 1.02 0.00 0.00 30.24 29.71 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 0.32 -2.89 -3.57 -1.09 1.02 -1.26 -4.69 120.64 108.48 2kwp n GLU 42 Ca 0.25 0.41 -0.30 0.00 -0.02 0.00 0.00 57.16 57.50 2kwp n GLU 42 Cb 1.02 -4.42 -0.04 0.00 -0.02 0.00 0.00 31.44 27.98 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 -3.85 5.11 -0.28 -3.67 -4.36 -1.25 -4.39 121.20 108.51 2kwp s ILE 43 Ca 0.10 0.03 -0.26 0.00 -0.26 0.00 0.00 60.65 60.27 2kwp s ILE 43 Cb -0.04 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 40.01 2kwp s ILE 43 CO 0.88 -0.09 0.89 -0.62 0.24 0.00 0.00 174.94 176.25 2kwp s ASP 44 N -2.70 6.82 -0.05 4.36 -1.08 -1.25 -4.81 116.67 117.97 2kwp s ASP 44 Ca 0.42 0.94 0.04 0.00 -0.52 0.00 0.00 52.55 53.43 2kwp s ASP 44 Cb -0.11 -2.46 -0.00 0.00 -1.46 0.00 0.00 42.92 38.88 2kwp s ASP 44 CO 0.26 -0.65 -0.17 -0.69 0.52 0.00 0.00 175.17 174.44 2kwp s VAL 45 N 3.10 1.43 -0.07 1.11 1.01 -1.26 -1.94 120.40 123.78 2kwp s VAL 45 Ca 0.37 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2kwp s VAL 45 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2kwp s VAL 45 CO 0.11 0.41 -0.17 -0.60 0.00 0.00 0.00 175.10 174.85 2kwp s ARG 46 N 0.14 2.69 -0.04 2.72 3.52 0.58 -4.69 118.95 123.88 2kwp s ARG 46 Ca -0.06 -0.76 0.05 0.00 -0.13 0.00 0.00 55.73 54.83 2kwp s ARG 46 Cb -0.12 -2.36 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 2kwp s ARG 46 CO 0.03 0.47 -0.18 0.14 -0.81 0.00 0.00 175.30 174.94 2kwp s VAL 47 N -0.34 1.51 -0.10 7.11 -7.23 -1.26 0.20 120.40 120.28 2kwp s VAL 47 Ca 0.03 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.45 2kwp s VAL 47 Cb -0.13 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.52 2kwp s VAL 47 CO 0.02 0.43 -0.18 -1.10 -0.31 0.00 0.00 175.10 173.96 2kwp s GLN 48 N -0.12 3.02 0.01 4.82 -0.21 -0.80 -4.75 119.66 121.62 2kwp s GLN 48 Ca -0.00 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.59 2kwp s GLN 48 Cb -0.10 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 2kwp s GLN 48 CO 0.01 0.30 0.14 0.42 -2.12 0.00 0.00 175.29 174.05 2kwp s ILE 49 N 0.09 5.11 -0.27 1.08 1.01 -1.26 -0.78 121.20 126.18 2kwp s ILE 49 Ca -0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 2kwp s ILE 49 Cb -0.15 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.94 2kwp s ILE 49 CO 0.05 0.28 -0.02 -1.81 0.00 0.00 0.00 174.94 173.45 2kwp s ASP 50 N -2.01 4.58 0.09 3.58 1.01 0.55 -4.90 116.67 119.57 2kwp s ASP 50 Ca 0.27 -0.87 -0.20 0.00 0.71 0.00 0.00 52.55 52.46 2kwp s ASP 50 Cb -0.12 -1.72 -0.10 0.00 1.01 0.00 0.00 42.92 41.99 2kwp s ASP 50 CO 0.19 -0.16 1.65 0.08 0.21 0.00 0.00 175.17 177.14 2kwp h ARG 51 N 8.07 0.25 0.36 8.23 0.11 -1.95 2.17 114.38 131.62 2kwp h ARG 51 Ca -0.31 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.72 2kwp h ARG 51 Cb 1.11 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 2kwp h ARG 51 CO 0.58 0.30 -0.28 0.87 0.10 0.00 0.00 179.97 181.54 2kwp h LYS 52 N 0.14 -0.60 -0.79 0.08 1.79 -1.96 -2.63 116.57 112.60 2kwp h LYS 52 Ca 0.06 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 2kwp h LYS 52 Cb 0.14 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.89 2kwp h LYS 52 CO -0.01 -0.40 0.46 0.77 -1.08 0.00 0.00 179.45 179.19 2kwp h SER 53 N -0.62 0.97 -0.39 0.86 0.02 -1.98 -3.46 113.55 108.94 2kwp h SER 53 Ca -0.05 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2kwp h SER 53 Cb 0.51 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2kwp h SER 53 CO 0.01 0.76 0.00 0.61 -1.14 0.00 0.00 176.83 177.07 2kwp n GLY 54 N -1.23 0.87 3.33 -3.77 0.00 0.73 -4.46 105.19 100.65 2kwp n GLY 54 Ca 0.08 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.76 -0.12 0.00 1.61 1.47 -0.85 0.15 116.67 116.17 2kwp s ASP 55 Ca 0.00 -0.50 0.04 0.00 1.18 0.00 0.00 52.55 53.27 2kwp s ASP 55 Cb 0.00 0.45 -0.01 0.00 -0.34 0.00 0.00 42.92 43.02 2kwp s ASP 55 CO 0.00 -0.86 -0.14 0.72 0.68 0.00 0.00 175.17 175.57 2kwp s PHE 56 N -3.85 1.23 -0.10 2.11 -0.12 -1.26 0.20 117.98 116.19 2kwp s PHE 56 Ca 0.07 -0.26 -0.05 0.00 -0.05 0.00 0.00 56.93 56.64 2kwp s PHE 56 Cb 0.02 -0.78 -0.04 0.00 -0.63 0.00 0.00 43.02 41.60 2kwp s PHE 56 CO -0.08 -0.01 0.09 0.34 -0.05 0.00 0.00 175.22 175.51 2kwp s ASP 57 N -0.50 5.95 0.02 1.98 2.15 0.04 -4.87 116.67 121.44 2kwp s ASP 57 Ca 0.05 0.34 -0.21 0.00 0.43 0.00 0.00 52.55 53.16 2kwp s ASP 57 Cb -0.06 -1.84 -0.06 0.00 -0.30 0.00 0.00 42.92 40.66 2kwp s ASP 57 CO -0.00 0.39 0.62 -0.89 -0.17 0.00 0.00 175.17 175.12 2kwp s THR 58 N -0.99 4.84 0.07 1.71 2.01 -1.26 -1.91 115.64 120.12 2kwp s THR 58 Ca 0.15 1.31 0.05 0.00 0.31 0.00 0.00 61.69 63.51 2kwp s THR 58 Cb -0.12 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2kwp s THR 58 CO 0.04 0.43 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.90 2kwp s PHE 59 N -0.33 1.21 0.05 4.92 0.08 0.53 -1.90 117.98 122.53 2kwp s PHE 59 Ca 0.32 -0.47 0.06 0.00 0.12 0.00 0.00 56.93 56.96 2kwp s PHE 59 Cb -0.19 -0.68 -0.03 0.00 -0.57 0.00 0.00 43.02 41.55 2kwp s PHE 59 CO 0.18 0.06 -0.14 0.50 -0.10 0.00 0.00 175.22 175.73 2kwp s ARG 60 N -1.81 2.19 0.09 0.44 3.52 0.16 0.22 118.95 123.74 2kwp s ARG 60 Ca -0.01 -0.94 0.05 0.00 -0.13 0.00 0.00 55.73 54.69 2kwp s ARG 60 Cb -0.10 -2.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.97 2kwp s ARG 60 CO 0.02 0.55 -0.12 -0.98 -0.81 0.00 0.00 175.30 173.96 2kwp s ARG 61 N -1.63 0.85 0.04 5.12 1.70 -0.82 -0.58 118.95 123.62 2kwp s ARG 61 Ca 0.17 -1.07 -0.00 0.00 -0.47 0.00 0.00 55.73 54.35 2kwp s ARG 61 Cb -0.11 -0.69 -0.03 0.00 -0.57 0.00 0.00 34.95 33.55 2kwp s ARG 61 CO 0.08 0.13 -0.03 -1.58 -1.08 0.00 0.00 175.30 172.82 2kwp s TRP 62 N -1.89 0.44 -0.17 5.89 0.51 -0.22 -4.45 118.94 119.06 2kwp s TRP 62 Ca 0.02 -0.80 -0.07 0.00 -2.12 0.00 0.00 56.10 53.14 2kwp s TRP 62 Cb -0.06 -0.31 -0.04 0.00 -0.81 0.00 0.00 33.47 32.24 2kwp s TRP 62 CO 0.01 -0.27 0.06 -1.17 -0.51 0.00 0.00 176.95 175.08 2kwp s LEU 63 N -2.22 3.86 0.05 2.99 1.98 -1.25 0.16 118.68 124.25 2kwp s LEU 63 Ca -0.04 0.12 -0.30 0.00 -2.89 0.00 0.00 54.13 51.02 2kwp s LEU 63 Cb -0.01 -1.96 -0.08 0.00 0.66 0.00 0.00 46.19 44.79 2kwp s LEU 63 CO -0.05 0.21 1.72 -0.69 -1.89 0.00 0.00 176.35 175.65 2kwp s VAL 64 N 0.14 3.06 -0.01 1.68 1.01 0.42 0.50 120.40 127.19 2kwp s VAL 64 Ca 0.05 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.49 2kwp s VAL 64 Cb -0.12 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2kwp s VAL 64 CO 0.00 -0.01 -0.18 -0.69 0.00 0.00 0.00 175.10 174.22 2kwp s VAL 65 N 3.13 1.42 -0.18 2.92 1.01 0.50 -2.94 120.40 126.25 2kwp s VAL 65 Ca 0.77 -0.77 0.28 0.00 0.00 0.00 0.00 61.98 62.26 2kwp s VAL 65 Cb -0.40 -1.18 0.30 0.00 0.00 0.00 0.00 36.38 35.10 2kwp s VAL 65 CO 0.34 0.40 1.83 -0.78 0.00 0.00 0.00 175.10 176.89 2kwp h ASP 66 N 5.71 0.00 -0.19 3.32 3.58 -1.94 -0.06 116.42 126.84 2kwp h ASP 66 Ca -0.37 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 56.82 2kwp h ASP 66 Cb 1.15 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.03 2kwp h ASP 66 CO 0.48 0.00 -0.52 1.21 -2.88 0.00 0.00 179.24 177.53 2kwp n GLU 67 N -2.54 0.96 -1.28 0.28 2.13 -1.26 -4.79 120.64 114.15 2kwp n GLU 67 Ca 0.01 -2.02 -0.54 0.00 0.66 0.00 0.00 57.16 55.26 2kwp n GLU 67 Cb 0.20 -1.18 -0.09 0.00 0.27 0.00 0.00 31.44 30.64 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 0.66 0.00 0.55 6.31 3.14 -1.25 -4.76 118.33 122.99 2kwp n VAL 68 Ca 0.08 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.59 2kwp n VAL 68 Cb 0.68 -0.42 0.27 0.00 -1.06 0.00 0.00 33.84 33.30 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 5.05 0.00 -1.29 1.55 1.35 -1.96 -3.42 112.91 114.18 2kwp h THR 69 Ca -0.23 -0.54 -0.07 0.00 -0.55 0.00 0.00 66.41 65.02 2kwp h THR 69 Cb 1.18 1.32 -0.24 0.00 -1.73 0.00 0.00 68.15 68.68 2kwp h THR 69 CO 0.87 0.00 -0.45 -1.58 -0.25 0.00 0.00 175.52 174.11 2kwp s GLN 70 N -3.15 0.52 0.00 4.72 2.00 -1.26 -5.00 119.66 117.48 2kwp s GLN 70 Ca 0.08 0.32 0.11 0.00 -2.00 0.00 0.00 55.36 53.87 2kwp s GLN 70 Cb 0.12 0.01 0.62 0.00 0.80 0.00 0.00 33.01 34.56 2kwp s GLN 70 CO 0.67 -1.05 1.15 -0.35 -0.50 0.00 0.00 175.29 175.20 2kwp n PRO 71 N 5.32 0.28 0.23 1.67 -0.04 -1.26 -2.24 135.00 138.96 2kwp n PRO 71 Ca 0.04 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 2kwp n PRO 71 Cb 0.52 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 33.02 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 0.69 0.00 0.52 1.35 -1.91 -3.30 112.91 110.26 2kwp h THR 72 Ca 0.00 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2kwp h THR 72 Cb 0.03 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2kwp h THR 72 CO 0.00 0.22 -0.22 1.17 -0.25 0.00 0.00 175.52 176.44 2kwp n LYS 73 N -3.59 0.00 -3.96 4.72 4.81 -1.10 -3.76 118.16 115.28 2kwp n LYS 73 Ca -0.01 -0.60 -0.08 0.00 -0.87 0.00 0.00 58.31 56.75 2kwp n LYS 73 Cb 0.36 -0.38 -0.09 0.00 0.02 0.00 0.00 35.03 34.95 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 0.67 -0.04 1.64 8.01 -0.95 -3.87 118.70 124.16 2kwp s GLU 74 Ca 0.00 -0.96 0.02 0.00 0.01 0.00 0.00 54.97 54.03 2kwp s GLU 74 Cb 0.00 0.26 0.02 0.00 -4.31 0.00 0.00 34.13 30.09 2kwp s GLU 74 CO 0.00 -0.17 -0.06 -1.50 0.01 0.00 0.00 175.26 173.54 2kwp s ILE 75 N -3.39 0.61 0.77 -1.63 2.07 0.18 -4.10 121.20 115.72 2kwp s ILE 75 Ca 0.02 -0.20 -0.11 0.00 -1.41 0.00 0.00 60.65 58.94 2kwp s ILE 75 Cb 0.03 -0.59 0.06 0.00 0.13 0.00 0.00 42.46 42.09 2kwp s ILE 75 CO -0.08 0.22 1.10 0.42 -1.91 0.00 0.00 174.94 174.70 2kwp s THR 76 N 0.63 3.14 0.09 4.00 -4.23 -1.26 0.19 115.64 118.20 2kwp s THR 76 Ca -0.09 0.39 -0.28 0.00 -1.18 0.00 0.00 61.69 60.54 2kwp s THR 76 Cb -0.12 -2.83 -0.14 0.00 1.34 0.00 0.00 72.50 70.75 2kwp s THR 76 CO 0.01 -0.46 1.67 0.25 -0.54 0.00 0.00 174.62 175.55 2kwp h LEU 77 N -1.05 -0.49 -0.53 4.79 6.46 -1.30 -1.17 115.31 122.02 2kwp h LEU 77 Ca -0.44 0.03 0.11 0.00 -0.12 0.00 0.00 57.88 57.46 2kwp h LEU 77 Cb 1.24 0.15 -0.10 0.00 -0.73 0.00 0.00 40.66 41.21 2kwp h LEU 77 CO 0.50 -0.30 -0.20 -0.08 -0.62 0.00 0.00 178.44 177.74 2kwp h GLU 78 N -0.47 -0.07 -0.56 1.25 4.81 -1.92 0.74 114.58 118.37 2kwp h GLU 78 Ca -0.02 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 2kwp h GLU 78 Cb 0.40 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2kwp h GLU 78 CO 0.01 -0.05 0.38 0.00 -0.73 0.00 0.00 179.01 178.62 2kwp h ALA 79 N 1.34 1.99 -0.29 2.92 0.00 -1.83 0.69 119.26 124.08 2kwp h ALA 79 Ca 0.25 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 2kwp h ALA 79 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kwp h ALA 79 CO -0.58 -0.11 -0.30 0.00 0.00 0.00 0.00 179.25 178.26 2kwp h ALA 80 N 1.71 0.93 -0.37 0.00 0.00 0.17 -2.16 119.26 119.54 2kwp h ALA 80 Ca 0.25 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2kwp h ALA 80 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kwp h ALA 80 CO -0.07 0.62 -0.24 0.00 0.00 0.00 0.00 179.25 179.56 2kwp h ARG 81 N 0.52 0.74 -0.53 0.00 3.08 0.10 1.07 114.38 119.36 2kwp h ARG 81 Ca 0.06 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 2kwp h ARG 81 Cb 0.78 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2kwp h ARG 81 CO 0.06 0.91 -0.04 1.88 -1.07 0.00 0.00 179.97 181.71 2kwp h TYR 82 N 0.64 1.01 0.01 3.04 0.05 -1.05 -2.93 116.97 117.74 2kwp h TYR 82 Ca 0.09 -0.17 -0.25 0.00 0.05 0.00 0.00 58.73 58.44 2kwp h TYR 82 Cb 0.75 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 2kwp h TYR 82 CO 0.04 0.93 -1.32 0.93 -1.05 0.00 0.00 178.16 177.69 2kwp h GLU 83 N 0.85 0.02 -0.10 4.88 5.08 -1.13 -3.46 114.58 120.72 2kwp h GLU 83 Ca 0.15 -0.03 0.27 0.00 -1.00 0.00 0.00 59.36 58.75 2kwp h GLU 83 Cb 0.55 0.01 -0.20 0.00 0.50 0.00 0.00 28.75 29.62 2kwp h GLU 83 CO 0.03 0.81 0.18 0.34 -1.00 0.00 0.00 179.01 179.37 2kwp s ASP 84 N -6.48 -0.15 0.64 1.42 -1.08 0.37 -5.00 116.67 106.38 2kwp s ASP 84 Ca -0.02 0.06 0.32 0.00 -0.52 0.00 0.00 52.55 52.39 2kwp s ASP 84 Cb 0.09 1.11 1.78 0.00 -1.46 0.00 0.00 42.92 44.45 2kwp s ASP 84 CO 0.82 -0.03 2.06 -0.33 0.52 0.00 0.00 175.17 178.21 2kwp h GLU 85 N 7.62 0.00 0.00 4.34 5.08 -1.59 0.20 114.58 130.23 2kwp h GLU 85 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kwp h GLU 85 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kwp h GLU 85 CO -0.19 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.69 2kwp n SER 86 N -3.27 0.37 -4.78 1.42 3.41 -1.26 -4.61 113.62 104.90 2kwp n SER 86 Ca -0.00 0.66 -0.38 0.00 -0.26 0.00 0.00 58.87 58.89 2kwp n SER 86 Cb 0.33 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.51 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 -3.96 4.41 0.20 1.04 1.43 0.70 -5.06 118.68 117.44 2kwp s LEU 87 Ca -0.00 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 2kwp s LEU 87 Cb 0.05 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 2kwp s LEU 87 CO 0.17 0.00 0.07 0.21 0.23 0.00 0.00 176.35 177.03 2kwp s ASN 88 N -1.51 0.90 0.06 2.29 3.84 -1.26 -4.76 114.94 114.50 2kwp s ASN 88 Ca 0.47 -1.30 -0.33 0.00 0.21 0.00 0.00 52.86 51.91 2kwp s ASN 88 Cb -0.20 0.20 -0.13 0.00 -0.55 0.00 0.00 41.25 40.58 2kwp s ASN 88 CO 0.25 -0.70 1.74 -0.11 -2.79 0.00 0.00 177.10 175.49 2kwp n LEU 89 N -0.31 3.39 0.00 3.21 -0.00 -1.26 -0.51 117.00 121.52 2kwp n LEU 89 Ca -0.02 1.03 0.00 0.00 -0.00 0.00 0.00 56.01 57.01 2kwp n LEU 89 Cb 0.65 -1.43 0.00 0.00 -0.00 0.00 0.00 43.42 42.64 2kwp n LEU 89 CO 0.35 -0.12 0.00 0.61 -0.00 0.00 0.00 177.39 178.23 2kwp n GLY 90 N 3.92 0.52 3.93 -3.96 0.00 -1.15 -5.00 105.19 103.45 2kwp n GLY 90 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2kwp n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kwp s ASP 91 N -2.76 6.34 -0.19 1.61 1.01 0.33 -4.83 116.67 118.18 2kwp s ASP 91 Ca 0.00 0.46 -0.06 0.00 0.71 0.00 0.00 52.55 53.66 2kwp s ASP 91 Cb 0.00 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 2kwp s ASP 91 CO 0.00 -0.22 0.04 -0.31 0.21 0.00 0.00 175.17 174.89 2kwp s TYR 92 N -2.18 3.17 0.18 4.23 2.02 -1.26 -0.43 117.35 123.07 2kwp s TYR 92 Ca 0.40 -0.10 -0.19 0.00 -0.37 0.00 0.00 57.07 56.81 2kwp s TYR 92 Cb -0.10 -2.07 -0.08 0.00 -0.40 0.00 0.00 41.96 39.31 2kwp s TYR 92 CO 0.33 0.03 0.68 0.08 -1.57 0.00 0.00 175.55 175.10 2kwp s VAL 93 N 0.57 4.62 0.05 0.71 1.01 0.44 -4.84 120.40 122.95 2kwp s VAL 93 Ca 0.02 1.25 0.08 0.00 0.00 0.00 0.00 61.98 63.32 2kwp s VAL 93 Cb -0.13 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2kwp s VAL 93 CO 0.02 0.29 -0.21 -1.61 0.00 0.00 0.00 175.10 173.59 2kwp s GLU 94 N -1.77 1.96 -0.02 2.72 8.01 -1.26 -1.05 118.70 127.30 2kwp s GLU 94 Ca 0.39 -1.03 -0.22 0.00 0.01 0.00 0.00 54.97 54.12 2kwp s GLU 94 Cb -0.17 -2.12 0.05 0.00 -4.31 0.00 0.00 34.13 27.58 2kwp s GLU 94 CO 0.21 0.53 0.49 -0.51 0.01 0.00 0.00 175.26 175.99 2kwp s ASP 95 N -1.41 -0.41 -0.15 -0.19 1.01 0.25 -4.99 116.67 110.79 2kwp s ASP 95 Ca 0.14 0.34 -0.16 0.00 0.71 0.00 0.00 52.55 53.58 2kwp s ASP 95 Cb -0.10 0.43 -0.04 0.00 1.01 0.00 0.00 42.92 44.21 2kwp s ASP 95 CO 0.04 -0.56 0.38 -1.58 0.21 0.00 0.00 175.17 173.66 2kwp s GLN 96 N -1.49 4.28 0.21 8.23 0.74 -1.26 0.35 119.66 130.72 2kwp s GLN 96 Ca -0.11 0.25 0.09 0.00 0.05 0.00 0.00 55.36 55.64 2kwp s GLN 96 Cb -0.02 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.60 2kwp s GLN 96 CO 0.05 0.17 -0.17 0.96 -0.55 0.00 0.00 175.29 175.75 2kwp s ILE 97 N 0.65 1.96 0.75 -2.34 -4.36 -0.80 -4.85 121.20 112.22 2kwp s ILE 97 Ca 0.20 -2.14 -0.15 0.00 -0.26 0.00 0.00 60.65 58.30 2kwp s ILE 97 Cb -0.14 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.54 2kwp s ILE 97 CO 0.07 -0.43 0.83 -0.62 0.24 0.00 0.00 174.94 175.03 2kwp n GLU 98 N -0.17 0.33 -4.21 0.37 1.02 -1.26 -4.18 120.64 112.54 2kwp n GLU 98 Ca -0.09 0.17 -0.28 0.00 -0.02 0.00 0.00 57.16 56.93 2kwp n GLU 98 Cb 0.59 -2.11 -0.09 0.00 -0.02 0.00 0.00 31.44 29.81 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 -1.70 4.58 0.36 1.62 0.01 -1.26 -4.71 113.70 112.61 2kwp s SER 99 Ca 0.70 -0.39 0.27 0.00 1.31 0.00 0.00 55.95 57.84 2kwp s SER 99 Cb -0.33 -0.93 1.19 0.00 0.21 0.00 0.00 66.02 66.17 2kwp s SER 99 CO 0.54 0.14 1.81 1.62 0.41 0.00 0.00 173.24 177.76 2kwp h VAL 100 N 2.88 0.00 -0.94 3.43 3.04 -1.94 -3.48 116.25 119.24 2kwp h VAL 100 Ca -0.48 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 2kwp h VAL 100 Cb 1.18 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 2kwp h VAL 100 CO 0.55 0.00 -0.19 0.41 -1.01 0.00 0.00 177.57 177.33 2kwp n THR 101 N -2.50 -2.26 -0.07 3.17 -1.04 -1.26 -4.28 114.28 106.04 2kwp n THR 101 Ca 0.01 0.56 -0.01 0.00 -2.04 0.00 0.00 64.05 62.57 2kwp n THR 101 Cb 0.21 -1.65 0.27 0.00 -1.82 0.00 0.00 70.33 67.34 2kwp n THR 101 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2kwp h PHE 102 N 0.65 0.70 -0.90 -1.42 3.57 -1.93 -2.16 116.94 115.45 2kwp h PHE 102 Ca 0.00 -0.05 0.15 0.00 3.53 0.00 0.00 57.97 61.61 2kwp h PHE 102 Cb 0.00 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.46 2kwp h PHE 102 CO 0.00 0.58 0.58 -0.44 -2.23 0.00 0.00 178.31 176.80 2kwp h ASP 103 N 0.68 0.63 -0.24 0.41 3.32 -1.99 0.26 116.42 119.49 2kwp h ASP 103 Ca 0.16 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2kwp h ASP 103 Cb 0.22 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2kwp h ASP 103 CO -0.01 0.31 0.16 0.03 -1.72 0.00 0.00 179.24 178.01 2kwp h ARG 104 N 0.66 0.33 -6.16 3.56 2.47 -1.57 -3.41 114.38 110.27 2kwp h ARG 104 Ca 0.46 -0.02 -0.68 0.00 -1.26 0.00 0.00 59.98 58.48 2kwp h ARG 104 Cb 0.79 -0.07 -0.18 0.00 -1.65 0.00 0.00 29.97 28.85 2kwp h ARG 104 CO -0.21 0.22 -0.69 0.42 0.56 0.00 0.00 179.97 180.27 2kwp s ILE 105 N -5.32 3.74 0.77 2.04 1.01 0.91 -5.11 121.20 119.24 2kwp s ILE 105 Ca -0.07 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 2kwp s ILE 105 Cb 0.17 -2.55 0.05 0.00 0.01 0.00 0.00 42.46 40.15 2kwp s ILE 105 CO 0.71 0.56 1.13 0.42 0.00 0.00 0.00 174.94 177.76 2kwp s THR 106 N -0.85 2.82 0.20 2.92 -4.23 -1.26 -4.85 115.64 110.39 2kwp s THR 106 Ca 0.13 0.27 0.03 0.00 -1.18 0.00 0.00 61.69 60.94 2kwp s THR 106 Cb -0.11 -3.21 -0.09 0.00 1.34 0.00 0.00 72.50 70.42 2kwp s THR 106 CO 0.03 -0.35 1.47 0.00 -0.54 0.00 0.00 174.62 175.23 2kwp h THR 107 N -0.91 1.43 -0.14 3.99 1.03 -1.97 -3.02 112.91 113.32 2kwp h THR 107 Ca -0.46 -2.24 -0.03 0.00 -0.01 0.00 0.00 66.41 63.66 2kwp h THR 107 Cb 1.29 2.19 -0.01 0.00 -1.07 0.00 0.00 68.15 70.55 2kwp h THR 107 CO 0.64 0.66 -0.06 1.56 -0.01 0.00 0.00 175.52 178.31 2kwp h GLN 108 N 0.16 0.21 -0.40 0.00 4.20 -2.00 -1.10 115.11 116.19 2kwp h GLN 108 Ca -0.02 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 2kwp h GLN 108 Cb 1.28 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 2kwp h GLN 108 CO 0.11 0.29 -0.20 1.15 -0.67 0.00 0.00 178.83 179.51 2kwp h THR 109 N 0.20 1.27 0.00 -0.54 2.02 -1.91 -2.80 112.91 111.15 2kwp h THR 109 Ca 0.05 -1.31 -0.16 0.00 0.77 0.00 0.00 66.41 65.76 2kwp h THR 109 Cb 0.25 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2kwp h THR 109 CO 0.01 0.44 -0.75 0.00 0.37 0.00 0.00 175.52 175.59 2kwp h ALA 110 N 1.09 0.69 -0.27 6.16 0.00 -1.40 -3.09 119.26 122.45 2kwp h ALA 110 Ca 0.10 -0.68 0.08 0.00 0.00 0.00 0.00 54.91 54.41 2kwp h ALA 110 Cb 0.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2kwp h ALA 110 CO 0.05 0.93 0.20 -0.22 0.00 0.00 0.00 179.25 180.22 2kwp h LYS 111 N 0.00 0.00 -0.46 0.00 3.64 -0.95 -0.28 116.57 118.52 2kwp h LYS 111 Ca -0.01 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2kwp h LYS 111 Cb 1.38 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 2kwp h LYS 111 CO 0.10 0.00 -0.20 1.96 -2.27 0.00 0.00 179.45 179.03 2kwp h GLN 112 N 0.00 0.94 0.00 1.90 4.20 -1.53 -2.69 115.11 117.92 2kwp h GLN 112 Ca 0.13 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 2kwp h GLN 112 Cb 0.53 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2kwp h GLN 112 CO -0.00 1.05 -0.04 -0.39 -0.67 0.00 0.00 178.83 178.77 2kwp h VAL 113 N 0.81 0.08 -0.52 -0.54 -1.51 -1.23 -3.23 116.25 110.11 2kwp h VAL 113 Ca 0.11 -0.99 -0.03 0.00 -1.23 0.00 0.00 66.70 64.56 2kwp h VAL 113 Cb 0.76 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 31.83 2kwp h VAL 113 CO 0.06 0.04 0.22 0.40 -1.23 0.00 0.00 177.57 177.06 2kwp h ILE 114 N 0.00 1.21 -0.39 7.19 2.04 -0.90 0.44 117.51 127.10 2kwp h ILE 114 Ca -0.00 -0.65 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 2kwp h ILE 114 Cb 0.92 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2kwp h ILE 114 CO 0.01 0.25 -0.14 0.58 0.00 0.00 0.00 178.15 178.85 2kwp h VAL 115 N 0.70 1.28 -0.54 1.67 2.07 -1.57 -1.54 116.25 118.32 2kwp h VAL 115 Ca 0.17 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 2kwp h VAL 115 Cb 0.19 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2kwp h VAL 115 CO -0.02 0.41 0.17 -0.61 0.02 0.00 0.00 177.57 177.55 2kwp h GLN 116 N 0.58 0.84 -0.45 1.57 4.15 -1.54 0.46 115.11 120.72 2kwp h GLN 116 Ca 0.09 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 2kwp h GLN 116 Cb 0.67 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 2kwp h GLN 116 CO 0.05 0.77 0.13 -0.22 -1.93 0.00 0.00 178.83 177.63 2kwp h LYS 117 N 0.75 0.70 -0.04 1.69 1.63 -0.82 -2.75 116.57 117.73 2kwp h LYS 117 Ca 0.17 -0.16 -0.15 0.00 -0.85 0.00 0.00 60.65 59.67 2kwp h LYS 117 Cb 0.28 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 2kwp h LYS 117 CO -0.01 0.68 -0.66 0.28 -3.45 0.00 0.00 179.45 176.29 2kwp h VAL 118 N 0.59 1.43 -0.78 2.00 2.07 -1.07 -3.06 116.25 117.42 2kwp h VAL 118 Ca 0.14 -2.17 0.08 0.00 0.82 0.00 0.00 66.70 65.58 2kwp h VAL 118 Cb 0.28 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 2kwp h VAL 118 CO -0.00 0.63 0.51 -0.09 0.02 0.00 0.00 177.57 178.64 2kwp h ARG 119 N 0.11 0.75 -0.12 1.57 2.43 0.21 0.40 114.38 119.73 2kwp h ARG 119 Ca -0.01 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2kwp h ARG 119 Cb 1.19 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2kwp h ARG 119 CO 0.10 0.50 -0.14 0.93 -1.51 0.00 0.00 179.97 179.84 2kwp h GLU 120 N 0.77 0.19 -0.14 0.20 5.08 -1.41 -1.96 114.58 117.31 2kwp h GLU 120 Ca 0.35 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2kwp h GLU 120 Cb 0.35 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2kwp h GLU 120 CO -0.13 0.34 -0.10 0.00 -1.00 0.00 0.00 179.01 178.12 2kwp h ALA 121 N 1.68 1.57 0.00 3.43 0.00 -1.00 -1.71 119.26 123.23 2kwp h ALA 121 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2kwp h ALA 121 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kwp h ALA 121 CO 0.02 0.31 -0.18 0.93 0.00 0.00 0.00 179.25 180.33 2kwp h GLU 122 N 0.21 0.00 -1.00 0.00 5.08 -1.27 -2.37 114.58 115.23 2kwp h GLU 122 Ca 0.05 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 2kwp h GLU 122 Cb 0.32 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 2kwp h GLU 122 CO 0.02 0.18 0.63 0.00 -1.00 0.00 0.00 179.01 178.84 2kwp h ARG 123 N 0.00 0.97 0.00 2.33 3.08 -1.35 -3.44 114.38 115.97 2kwp h ARG 123 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2kwp h ARG 123 Cb 0.33 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2kwp h ARG 123 CO 0.02 0.64 0.00 0.00 -1.07 0.00 0.00 179.97 179.57 2kwp n ALA 124 N -2.35 0.00 -2.39 0.04 0.00 -0.90 -4.57 120.51 110.33 2kwp n ALA 124 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.43 2kwp n ALA 124 Cb 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.69 2kwp n ALA 124 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2kwp s MET 125 N 0.00 1.47 -0.20 0.00 -1.94 -1.26 -5.10 119.30 112.27 2kwp s MET 125 Ca 0.00 -1.73 -0.12 0.00 -1.71 0.00 0.00 55.69 52.14 2kwp s MET 125 Cb 0.00 -1.05 -0.05 0.00 2.01 0.00 0.00 34.83 35.74 2kwp s MET 125 CO 0.00 0.04 0.20 -1.17 -0.01 0.00 0.00 175.02 174.09 2kwp s LEU 126 N -3.39 4.19 0.74 -0.03 2.96 -1.26 -5.07 118.68 116.81 2kwp s LEU 126 Ca 0.28 0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 54.37 2kwp s LEU 126 Cb 0.03 -2.21 0.04 0.00 0.50 0.00 0.00 46.19 44.56 2kwp s LEU 126 CO 0.10 0.11 1.11 0.68 -1.32 0.00 0.00 176.35 177.03 2kwp s VAL 127 N 0.61 3.18 0.42 1.68 -7.23 -1.26 -4.98 120.40 112.82 2kwp s VAL 127 Ca 0.11 0.45 -0.25 0.00 -1.81 0.00 0.00 61.98 60.48 2kwp s VAL 127 Cb -0.12 -2.92 -0.08 0.00 0.56 0.00 0.00 36.38 33.82 2kwp s VAL 127 CO 0.02 -0.44 1.17 -2.16 -0.31 0.00 0.00 175.10 173.38 2kwp s PRO 128 N -4.57 3.97 0.00 4.82 0.04 -1.26 -5.32 135.00 132.69 2kwp s PRO 128 Ca 0.64 1.83 0.07 0.00 0.04 0.00 0.00 61.00 63.58 2kwp s PRO 128 Cb -0.19 -2.60 0.05 0.00 0.04 0.00 0.00 34.50 31.80 2kwp s PRO 128 CO 0.51 -0.39 0.72 -2.13 0.04 0.00 0.00 177.00 175.74