#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 6.13 0.34 7.83 0.02 -0.86 -4.92 114.94 123.47 2kwp s ASN 2 Ca 0.00 -1.10 0.12 0.00 -1.02 0.00 0.00 52.86 50.85 2kwp s ASN 2 Cb 0.00 -2.17 0.60 0.00 0.02 0.00 0.00 41.25 39.69 2kwp s ASN 2 CO 0.00 -0.55 1.75 0.50 0.02 0.00 0.00 177.10 178.83 2kwp h LYS 3 N 8.69 0.01 -0.84 -0.60 3.64 -1.91 -2.81 116.57 122.75 2kwp h LYS 3 Ca -0.28 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2kwp h LYS 3 Cb 1.12 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 2kwp h LYS 3 CO 0.80 0.46 0.55 1.49 -2.27 0.00 0.00 179.45 180.48 2kwp h GLU 4 N 0.01 1.12 -0.70 1.90 4.81 -1.94 0.14 114.58 119.91 2kwp h GLU 4 Ca -0.00 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2kwp h GLU 4 Cb 0.80 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 2kwp h GLU 4 CO 0.06 0.75 0.35 0.82 -0.73 0.00 0.00 179.01 180.26 2kwp h ILE 5 N 1.15 1.23 0.00 2.32 2.04 -1.82 -0.97 117.51 121.45 2kwp h ILE 5 Ca 0.31 -0.62 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 2kwp h ILE 5 Cb -0.11 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 2kwp h ILE 5 CO -0.06 0.26 -0.44 -0.07 0.00 0.00 0.00 178.15 177.84 2kwp h LEU 6 N 0.97 0.00 -0.21 1.44 3.38 -1.39 -3.09 115.31 116.42 2kwp h LEU 6 Ca 0.24 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 2kwp h LEU 6 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kwp h LEU 6 CO -0.03 0.44 -0.44 0.00 0.09 0.00 0.00 178.44 178.49 2kwp h ALA 7 N 1.56 0.33 0.00 1.53 0.00 -0.04 -2.93 119.26 119.71 2kwp h ALA 7 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2kwp h ALA 7 Cb 1.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2kwp h ALA 7 CO 0.06 0.47 -0.20 -0.24 0.00 0.00 0.00 179.25 179.33 2kwp h VAL 8 N 0.36 0.91 -0.39 0.00 3.04 -1.20 -2.45 116.25 116.51 2kwp h VAL 8 Ca 0.00 -0.76 -0.16 0.00 -1.01 0.00 0.00 66.70 64.77 2kwp h VAL 8 Cb 1.05 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 2kwp h VAL 8 CO 0.10 0.20 -0.38 0.58 -1.01 0.00 0.00 177.57 177.06 2kwp h VAL 9 N 0.00 1.27 -0.08 1.51 2.07 -1.44 -1.84 116.25 117.74 2kwp h VAL 9 Ca -0.00 -1.55 -0.11 0.00 0.82 0.00 0.00 66.70 65.85 2kwp h VAL 9 Cb 0.42 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2kwp h VAL 9 CO 0.03 0.52 -0.47 -0.33 0.02 0.00 0.00 177.57 177.34 2kwp h GLU 10 N 0.78 0.20 -0.12 1.57 5.08 -1.29 -1.13 114.58 119.67 2kwp h GLU 10 Ca 0.06 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 2kwp h GLU 10 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2kwp h GLU 10 CO 0.09 0.63 -0.67 0.00 -1.00 0.00 0.00 179.01 178.06 2kwp h ALA 11 N 1.36 0.62 0.00 3.43 0.00 -1.30 -2.34 119.26 121.02 2kwp h ALA 11 Ca 0.01 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.19 2kwp h ALA 11 Cb 0.89 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2kwp h ALA 11 CO 0.07 0.73 -0.74 0.28 0.00 0.00 0.00 179.25 179.58 2kwp h VAL 12 N 0.34 1.39 -0.06 0.00 2.07 -1.16 -2.54 116.25 116.31 2kwp h VAL 12 Ca -0.02 -2.68 -0.18 0.00 0.82 0.00 0.00 66.70 64.64 2kwp h VAL 12 Cb 1.24 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 2kwp h VAL 12 CO 0.12 0.73 -0.74 0.28 0.02 0.00 0.00 177.57 177.98 2kwp h SER 13 N 0.00 0.40 0.24 0.57 0.02 -1.12 0.11 113.55 113.77 2kwp h SER 13 Ca -0.01 -0.27 -0.23 0.00 -0.84 0.00 0.00 61.79 60.44 2kwp h SER 13 Cb 1.44 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.87 2kwp h SER 13 CO 0.10 1.00 -0.95 -1.13 -1.14 0.00 0.00 176.83 174.71 2kwp h ASN 14 N 0.22 0.63 0.11 3.07 -1.24 -1.41 1.36 115.58 118.32 2kwp h ASN 14 Ca -0.03 -0.50 -0.27 0.00 0.71 0.00 0.00 56.30 56.21 2kwp h ASN 14 Cb 1.31 -0.19 0.03 0.00 0.73 0.00 0.00 38.32 40.20 2kwp h ASN 14 CO 0.12 1.30 -1.12 -0.33 -1.29 0.00 0.00 177.43 176.11 2kwp h GLU 15 N 0.28 0.56 -0.01 6.67 5.08 -1.44 -3.28 114.58 122.45 2kwp h GLU 15 Ca -0.09 -0.75 0.00 0.00 -1.00 0.00 0.00 59.36 57.52 2kwp h GLU 15 Cb 1.59 0.25 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2kwp h GLU 15 CO 0.17 1.33 -0.52 1.63 -1.00 0.00 0.00 179.01 180.63 2kwp n LYS 16 N -3.89 0.62 -4.02 2.33 4.76 0.38 -4.95 118.16 113.39 2kwp n LYS 16 Ca -0.13 -0.44 -0.31 0.00 -2.87 0.00 0.00 58.31 54.55 2kwp n LYS 16 Cb 0.93 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.63 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 -0.80 -1.48 -2.59 7.82 0.00 0.47 -4.95 120.51 118.96 2kwp n ALA 17 Ca 0.08 -0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.25 2kwp n ALA 17 Cb 0.38 -3.30 -0.11 0.00 0.00 0.00 0.00 19.45 16.42 2kwp n ALA 17 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2kwp s LEU 18 N -7.17 2.88 0.19 0.00 0.05 -1.08 -5.01 118.68 108.55 2kwp s LEU 18 Ca 0.51 -1.32 -0.30 0.00 0.05 0.00 0.00 54.13 53.06 2kwp s LEU 18 Cb -0.27 -0.96 -0.09 0.00 -2.05 0.00 0.00 46.19 42.82 2kwp s LEU 18 CO 0.88 -0.43 1.36 -2.16 -0.55 0.00 0.00 176.35 175.45 2kwp s PRO 19 N -3.71 4.34 0.33 1.48 0.04 -1.26 -4.62 135.00 131.60 2kwp s PRO 19 Ca 0.35 2.12 0.07 0.00 0.04 0.00 0.00 61.00 63.58 2kwp s PRO 19 Cb 0.08 -3.19 0.77 0.00 0.04 0.00 0.00 34.50 32.20 2kwp s PRO 19 CO 0.18 -0.34 1.82 0.00 0.04 0.00 0.00 177.00 178.71 2kwp h ARG 20 N 5.65 0.73 -0.69 4.56 3.08 -1.97 -0.16 114.38 125.58 2kwp h ARG 20 Ca -0.44 -0.04 0.14 0.00 0.07 0.00 0.00 59.98 59.70 2kwp h ARG 20 Cb 1.21 -0.16 -0.10 0.00 0.08 0.00 0.00 29.97 31.00 2kwp h ARG 20 CO 0.80 0.48 0.19 1.49 -1.07 0.00 0.00 179.97 181.86 2kwp h GLU 21 N 0.75 0.30 -0.56 0.04 4.81 -1.99 0.43 114.58 118.37 2kwp h GLU 21 Ca 0.52 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.76 2kwp h GLU 21 Cb 0.81 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 2kwp h GLU 21 CO -0.29 0.20 0.33 -0.22 -0.73 0.00 0.00 179.01 178.30 2kwp h LYS 22 N 0.31 0.64 -0.19 1.92 3.64 -1.40 -2.04 116.57 119.45 2kwp h LYS 22 Ca 0.38 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 2kwp h LYS 22 Cb 0.60 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2kwp h LYS 22 CO -0.44 0.42 0.05 0.82 -2.27 0.00 0.00 179.45 178.03 2kwp h ILE 23 N 0.66 0.93 -0.95 2.00 2.04 -0.86 -1.35 117.51 119.98 2kwp h ILE 23 Ca 0.23 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 66.18 2kwp h ILE 23 Cb 0.03 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 2kwp h ILE 23 CO -0.10 0.02 0.60 -0.26 0.00 0.00 0.00 178.15 178.41 2kwp h PHE 24 N 0.13 0.96 -0.69 1.37 0.04 -0.76 0.70 116.94 118.68 2kwp h PHE 24 Ca 0.09 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.93 2kwp h PHE 24 Cb 0.07 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 37.87 2kwp h PHE 24 CO -0.13 0.34 0.41 1.49 -0.60 0.00 0.00 178.31 179.82 2kwp h GLU 25 N 0.80 0.76 -0.18 1.51 4.81 -0.56 0.21 114.58 121.93 2kwp h GLU 25 Ca 0.48 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 2kwp h GLU 25 Cb 0.68 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2kwp h GLU 25 CO -0.25 0.50 0.09 0.00 -0.73 0.00 0.00 179.01 178.63 2kwp h ALA 26 N 1.33 0.23 -0.58 2.92 0.00 -0.55 -2.06 119.26 120.55 2kwp h ALA 26 Ca 0.30 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2kwp h ALA 26 Cb 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2kwp h ALA 26 CO -0.15 -0.22 0.37 -0.07 0.00 0.00 0.00 179.25 179.19 2kwp h LEU 27 N 0.18 0.63 -1.04 0.00 4.07 -0.69 -1.47 115.31 116.98 2kwp h LEU 27 Ca 0.06 -0.01 0.13 0.00 0.08 0.00 0.00 57.88 58.14 2kwp h LEU 27 Cb 0.10 -0.15 -0.09 0.00 1.08 0.00 0.00 40.66 41.60 2kwp h LEU 27 CO -0.01 0.45 0.62 -0.33 -1.08 0.00 0.00 178.44 178.10 2kwp h GLU 28 N 0.75 0.91 -0.32 1.13 5.08 -0.26 0.36 114.58 122.23 2kwp h GLU 28 Ca 0.22 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 2kwp h GLU 28 Cb -0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2kwp h GLU 28 CO -0.07 0.60 -0.30 1.03 -1.00 0.00 0.00 179.01 179.28 2kwp h SER 29 N 0.94 0.70 -0.14 1.42 0.87 -0.59 -0.11 113.55 116.64 2kwp h SER 29 Ca 0.50 -0.28 -0.20 0.00 -1.23 0.00 0.00 61.79 60.59 2kwp h SER 29 Cb 0.56 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2kwp h SER 29 CO -0.27 0.96 -0.66 0.00 -0.53 0.00 0.00 176.83 176.32 2kwp h ALA 30 N 1.09 0.44 -0.30 6.23 0.00 -0.12 -0.87 119.26 125.72 2kwp h ALA 30 Ca 0.07 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 2kwp h ALA 30 Cb 0.80 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kwp h ALA 30 CO 0.07 0.69 -0.26 -0.07 0.00 0.00 0.00 179.25 179.68 2kwp h LEU 31 N 0.55 0.75 -0.70 0.00 4.07 -0.27 -1.72 115.31 117.99 2kwp h LEU 31 Ca -0.02 -0.46 -0.12 0.00 0.08 0.00 0.00 57.88 57.37 2kwp h LEU 31 Cb 1.27 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 2kwp h LEU 31 CO 0.14 1.05 -0.26 0.00 -1.08 0.00 0.00 178.44 178.29 2kwp h ALA 32 N 0.72 0.89 -0.47 1.53 0.00 -1.02 0.14 119.26 121.05 2kwp h ALA 32 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2kwp h ALA 32 Cb 0.82 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2kwp h ALA 32 CO 0.07 0.63 0.07 1.15 0.00 0.00 0.00 179.25 181.17 2kwp h THR 33 N 0.62 1.25 0.00 0.00 2.02 -1.06 -1.22 112.91 114.52 2kwp h THR 33 Ca 0.08 -0.91 -0.14 0.00 0.77 0.00 0.00 66.41 66.21 2kwp h THR 33 Cb 0.76 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2kwp h THR 33 CO 0.06 0.32 -0.65 0.00 0.37 0.00 0.00 175.52 175.62 2kwp h ALA 34 N 0.95 0.85 0.01 6.16 0.00 -1.15 -2.97 119.26 123.10 2kwp h ALA 34 Ca 0.14 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kwp h ALA 34 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kwp h ALA 34 CO 0.01 0.81 -0.00 1.15 0.00 0.00 0.00 179.25 181.22 2kwp h THR 35 N 0.00 1.27 0.00 0.00 2.02 -0.37 -2.72 112.91 113.11 2kwp h THR 35 Ca -0.01 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 2kwp h THR 35 Cb 1.21 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2kwp h THR 35 CO 0.08 0.21 -0.03 0.07 0.37 0.00 0.00 175.52 176.23 2kwp h LYS 36 N -0.35 0.00 -0.85 6.66 2.10 -1.26 -1.69 116.57 121.18 2kwp h LYS 36 Ca -0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 2kwp h LYS 36 Cb 0.35 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.63 2kwp h LYS 36 CO 0.00 0.03 0.56 0.87 -2.00 0.00 0.00 179.45 178.90 2kwp h LYS 37 N 0.00 0.97 -0.62 0.07 1.57 -1.31 -0.60 116.57 116.65 2kwp h LYS 37 Ca -0.00 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2kwp h LYS 37 Cb 0.06 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.10 2kwp h LYS 37 CO 0.00 0.64 0.32 -0.22 -0.57 0.00 0.00 179.45 179.63 2kwp h LYS 38 N 1.00 0.57 -0.00 3.15 3.64 -1.33 -1.05 116.57 122.55 2kwp h LYS 38 Ca 0.35 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.56 2kwp h LYS 38 Cb 0.12 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2kwp h LYS 38 CO -0.12 0.38 -0.63 1.88 -2.27 0.00 0.00 179.45 178.69 2kwp h TYR 39 N 0.59 0.02 -1.00 1.91 0.05 -1.41 -3.46 116.97 113.66 2kwp h TYR 39 Ca 0.28 -0.01 -0.42 0.00 0.05 0.00 0.00 58.73 58.64 2kwp h TYR 39 Cb 0.21 -0.00 -0.16 0.00 1.01 0.00 0.00 36.73 37.79 2kwp h TYR 39 CO -0.10 0.64 -0.38 0.39 -1.05 0.00 0.00 178.16 177.66 2kwp n GLU 40 N -3.79 -1.41 -0.22 4.88 -0.58 -0.33 -4.80 120.64 114.39 2kwp n GLU 40 Ca -0.01 1.21 0.06 0.00 -0.42 0.00 0.00 57.16 58.00 2kwp n GLU 40 Cb 0.63 -5.58 0.18 0.00 -0.57 0.00 0.00 31.44 26.10 2kwp n GLU 40 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kwp n GLN 41 N -2.42 2.88 -3.72 3.49 6.02 -1.26 -4.97 117.38 117.40 2kwp n GLN 41 Ca -0.20 -2.17 -0.22 0.00 -0.01 0.00 0.00 57.00 54.39 2kwp n GLN 41 Cb 0.67 -1.34 0.03 0.00 1.02 0.00 0.00 30.24 30.61 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 0.60 -4.88 -2.79 -1.09 1.02 -1.26 -4.71 120.64 107.52 2kwp n GLU 42 Ca 0.14 0.61 -0.26 0.00 -0.02 0.00 0.00 57.16 57.63 2kwp n GLU 42 Cb 0.48 -5.17 0.01 0.00 -0.02 0.00 0.00 31.44 26.74 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 -3.66 4.43 -0.33 -3.67 -4.36 -1.26 -4.18 121.20 108.17 2kwp s ILE 43 Ca 0.04 -0.13 -0.20 0.00 -0.26 0.00 0.00 60.65 60.10 2kwp s ILE 43 Cb -0.02 -3.67 -0.01 0.00 1.25 0.00 0.00 42.46 40.01 2kwp s ILE 43 CO 0.82 -0.59 0.61 -0.62 0.24 0.00 0.00 174.94 175.40 2kwp s ASP 44 N -4.17 6.44 -0.03 4.36 2.15 -1.12 -4.84 116.67 119.47 2kwp s ASP 44 Ca 0.48 0.27 0.06 0.00 0.43 0.00 0.00 52.55 53.79 2kwp s ASP 44 Cb -0.10 -2.32 -0.01 0.00 -0.30 0.00 0.00 42.92 40.19 2kwp s ASP 44 CO 0.42 -0.51 -0.21 -0.69 -0.17 0.00 0.00 175.17 174.01 2kwp s VAL 45 N 2.60 1.67 -0.08 1.11 1.01 -1.26 -1.98 120.40 123.46 2kwp s VAL 45 Ca 0.24 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2kwp s VAL 45 Cb -0.15 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2kwp s VAL 45 CO 0.13 0.47 -0.13 -0.60 0.00 0.00 0.00 175.10 174.98 2kwp s ARG 46 N -0.35 2.81 -0.11 2.72 3.52 0.57 -4.73 118.95 123.38 2kwp s ARG 46 Ca 0.04 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 2kwp s ARG 46 Cb -0.09 -2.49 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 2kwp s ARG 46 CO 0.00 0.51 -0.22 0.08 -0.81 0.00 0.00 175.30 174.86 2kwp s VAL 47 N -0.42 2.20 -0.10 7.11 1.01 -1.26 0.13 120.40 129.08 2kwp s VAL 47 Ca 0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2kwp s VAL 47 Cb -0.12 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2kwp s VAL 47 CO 0.02 0.55 -0.02 -1.10 0.00 0.00 0.00 175.10 174.55 2kwp s GLN 48 N 0.46 3.07 0.03 2.72 -0.21 -0.23 -4.65 119.66 120.86 2kwp s GLN 48 Ca -0.15 -0.45 0.05 0.00 0.02 0.00 0.00 55.36 54.82 2kwp s GLN 48 Cb -0.17 -2.78 -0.03 0.00 1.00 0.00 0.00 33.01 31.02 2kwp s GLN 48 CO 0.06 0.61 -0.08 0.42 -2.12 0.00 0.00 175.29 174.17 2kwp s ILE 49 N -0.63 3.51 -0.30 1.08 1.01 -1.26 0.26 121.20 124.86 2kwp s ILE 49 Ca 0.10 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 2kwp s ILE 49 Cb -0.12 -2.55 0.03 0.00 0.01 0.00 0.00 42.46 39.83 2kwp s ILE 49 CO 0.02 0.32 0.05 -1.81 0.00 0.00 0.00 174.94 173.52 2kwp s ASP 50 N -1.62 5.01 0.05 3.58 1.01 0.59 -4.90 116.67 120.39 2kwp s ASP 50 Ca 0.18 -0.96 -0.22 0.00 0.71 0.00 0.00 52.55 52.26 2kwp s ASP 50 Cb -0.11 -1.82 -0.14 0.00 1.01 0.00 0.00 42.92 41.86 2kwp s ASP 50 CO 0.09 -0.23 1.53 -0.09 0.21 0.00 0.00 175.17 176.67 2kwp h ARG 51 N 8.16 0.14 0.28 8.23 2.43 -1.95 2.25 114.38 133.93 2kwp h ARG 51 Ca -0.27 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2kwp h ARG 51 Cb 1.10 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 2kwp h ARG 51 CO 0.59 0.34 -0.48 0.87 -1.51 0.00 0.00 179.97 179.78 2kwp h LYS 52 N -0.08 -0.78 -0.43 0.20 1.79 -1.96 -2.66 116.57 112.64 2kwp h LYS 52 Ca 0.03 0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.42 2kwp h LYS 52 Cb 0.27 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2kwp h LYS 52 CO 0.00 -0.52 -0.25 0.77 -1.08 0.00 0.00 179.45 178.37 2kwp h SER 53 N -0.81 0.97 -0.17 0.86 0.02 -1.98 -3.47 113.55 108.97 2kwp h SER 53 Ca -0.03 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2kwp h SER 53 Cb 0.75 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2kwp h SER 53 CO -0.16 1.18 0.00 0.61 -1.14 0.00 0.00 176.83 177.31 2kwp n GLY 54 N -0.03 1.11 3.13 -3.77 0.00 0.75 -4.33 105.19 102.05 2kwp n GLY 54 Ca -0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 2kwp n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kwp s ASP 55 N -2.51 0.23 0.05 1.61 1.01 -0.83 -2.04 116.67 114.19 2kwp s ASP 55 Ca 0.00 -0.65 0.05 0.00 0.71 0.00 0.00 52.55 52.66 2kwp s ASP 55 Cb 0.00 0.24 -0.02 0.00 1.01 0.00 0.00 42.92 44.15 2kwp s ASP 55 CO 0.00 -0.57 -0.14 0.72 0.21 0.00 0.00 175.17 175.39 2kwp s PHE 56 N -3.10 1.21 0.20 4.23 -0.12 -1.26 0.22 117.98 119.36 2kwp s PHE 56 Ca -0.01 -0.39 0.07 0.00 -0.05 0.00 0.00 56.93 56.55 2kwp s PHE 56 Cb 0.02 -0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 41.66 2kwp s PHE 56 CO -0.07 0.04 0.08 -0.51 -0.05 0.00 0.00 175.22 174.71 2kwp s ASP 57 N -1.33 5.12 -0.15 1.98 1.01 0.14 -4.80 116.67 118.64 2kwp s ASP 57 Ca 0.00 -0.32 -0.04 0.00 0.71 0.00 0.00 52.55 52.90 2kwp s ASP 57 Cb -0.09 -1.20 -0.03 0.00 1.01 0.00 0.00 42.92 42.61 2kwp s ASP 57 CO 0.02 0.04 -0.01 -0.89 0.21 0.00 0.00 175.17 174.53 2kwp s THR 58 N -1.91 4.12 0.11 -1.27 2.01 -1.26 -1.06 115.64 116.38 2kwp s THR 58 Ca 0.30 -0.28 0.06 0.00 0.31 0.00 0.00 61.69 62.08 2kwp s THR 58 Cb -0.09 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2kwp s THR 58 CO 0.22 0.51 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.15 2kwp s PHE 59 N 0.15 1.38 0.05 4.92 0.08 0.35 -1.96 117.98 122.96 2kwp s PHE 59 Ca 0.00 -0.54 0.06 0.00 0.12 0.00 0.00 56.93 56.57 2kwp s PHE 59 Cb -0.13 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 2kwp s PHE 59 CO 0.02 0.13 -0.13 0.50 -0.10 0.00 0.00 175.22 175.64 2kwp s ARG 60 N -2.52 2.20 0.05 0.44 3.52 0.41 0.21 118.95 123.25 2kwp s ARG 60 Ca 0.07 -0.94 -0.02 0.00 -0.13 0.00 0.00 55.73 54.72 2kwp s ARG 60 Cb -0.06 -2.30 -0.03 0.00 -1.56 0.00 0.00 34.95 31.00 2kwp s ARG 60 CO 0.03 0.54 0.00 -0.98 -0.81 0.00 0.00 175.30 174.08 2kwp s ARG 61 N -1.68 0.59 0.04 5.12 1.70 -0.84 0.17 118.95 124.05 2kwp s ARG 61 Ca 0.17 -1.07 -0.05 0.00 -0.47 0.00 0.00 55.73 54.32 2kwp s ARG 61 Cb -0.11 0.21 -0.02 0.00 -0.57 0.00 0.00 34.95 34.47 2kwp s ARG 61 CO 0.08 -0.12 0.07 -1.58 -1.08 0.00 0.00 175.30 172.68 2kwp s TRP 62 N -3.45 0.25 -0.06 5.89 0.51 -0.12 -4.47 118.94 117.49 2kwp s TRP 62 Ca 0.03 -0.59 -0.03 0.00 -2.12 0.00 0.00 56.10 53.39 2kwp s TRP 62 Cb 0.04 -0.18 -0.04 0.00 -0.81 0.00 0.00 33.47 32.49 2kwp s TRP 62 CO -0.08 -0.36 0.10 -1.17 -0.51 0.00 0.00 176.95 174.93 2kwp s LEU 63 N -2.20 4.08 -0.11 2.99 2.96 -1.25 0.14 118.68 125.28 2kwp s LEU 63 Ca -0.04 0.28 -0.30 0.00 -0.22 0.00 0.00 54.13 53.86 2kwp s LEU 63 Cb -0.00 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 2kwp s LEU 63 CO -0.05 0.33 1.26 -0.69 -1.32 0.00 0.00 176.35 175.88 2kwp s VAL 64 N -1.11 4.22 0.04 1.68 1.01 -0.39 0.17 120.40 126.02 2kwp s VAL 64 Ca 0.20 1.51 0.06 0.00 0.00 0.00 0.00 61.98 63.75 2kwp s VAL 64 Cb -0.12 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 2kwp s VAL 64 CO 0.10 -0.08 -0.17 -0.69 0.00 0.00 0.00 175.10 174.26 2kwp s VAL 65 N 2.98 1.37 -0.38 2.92 1.01 0.46 -2.78 120.40 125.98 2kwp s VAL 65 Ca 0.56 -1.08 0.27 0.00 0.00 0.00 0.00 61.98 61.73 2kwp s VAL 65 Cb -0.24 -1.21 0.30 0.00 0.00 0.00 0.00 36.38 35.23 2kwp s VAL 65 CO 0.18 0.11 1.79 -0.78 0.00 0.00 0.00 175.10 176.40 2kwp h ASP 66 N 4.94 0.00 -0.56 3.32 3.58 -1.93 0.27 116.42 126.04 2kwp h ASP 66 Ca -0.40 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 56.74 2kwp h ASP 66 Cb 1.17 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 42.00 2kwp h ASP 66 CO 0.44 0.00 -0.65 1.21 -2.88 0.00 0.00 179.24 177.36 2kwp n GLU 67 N -2.54 0.99 -1.19 0.28 2.13 -1.26 -4.81 120.64 114.25 2kwp n GLU 67 Ca 0.03 -2.32 -0.50 0.00 0.66 0.00 0.00 57.16 55.02 2kwp n GLU 67 Cb 0.31 -1.23 -0.09 0.00 0.27 0.00 0.00 31.44 30.71 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 0.41 0.00 0.42 6.31 3.14 -1.25 -4.76 118.33 122.60 2kwp n VAL 68 Ca 0.11 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.62 2kwp n VAL 68 Cb 0.68 -0.39 0.25 0.00 -1.06 0.00 0.00 33.84 33.32 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 4.62 0.00 -1.77 1.55 1.35 -1.97 -3.42 112.91 113.27 2kwp h THR 69 Ca -0.22 -0.72 -0.22 0.00 -0.55 0.00 0.00 66.41 64.70 2kwp h THR 69 Cb 1.09 1.61 -0.29 0.00 -1.73 0.00 0.00 68.15 68.83 2kwp h THR 69 CO 0.81 0.00 -0.56 -1.58 -0.25 0.00 0.00 175.52 173.94 2kwp s GLN 70 N -3.18 0.42 0.00 4.72 0.74 -1.26 -5.00 119.66 116.10 2kwp s GLN 70 Ca 0.08 0.02 0.10 0.00 0.05 0.00 0.00 55.36 55.61 2kwp s GLN 70 Cb 0.10 -0.37 0.55 0.00 1.10 0.00 0.00 33.01 34.38 2kwp s GLN 70 CO 0.66 -1.05 1.14 -0.35 -0.55 0.00 0.00 175.29 175.14 2kwp n PRO 71 N 5.27 0.22 0.11 1.67 -0.04 -1.25 -0.78 135.00 140.20 2kwp n PRO 71 Ca 0.01 0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 2kwp n PRO 71 Cb 0.49 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 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 1.41 0.00 0.52 1.35 -1.86 -3.36 112.91 110.98 2kwp h THR 72 Ca 0.00 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 2kwp h THR 72 Cb 0.05 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 2kwp h THR 72 CO 0.00 0.84 0.00 0.29 -0.25 0.00 0.00 175.52 176.40 2kwp n LYS 73 N -3.63 1.39 -3.98 4.72 5.02 -1.06 -2.78 118.16 117.84 2kwp n LYS 73 Ca -0.11 -1.03 -0.09 0.00 -2.02 0.00 0.00 58.31 55.06 2kwp n LYS 73 Cb 1.01 -0.92 -0.11 0.00 -0.02 0.00 0.00 35.03 34.99 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 -0.56 0.39 -0.04 1.97 8.01 0.04 -3.87 118.70 124.64 2kwp s GLU 74 Ca 0.00 -0.69 0.05 0.00 0.01 0.00 0.00 54.97 54.33 2kwp s GLU 74 Cb 0.00 0.14 -0.01 0.00 -4.31 0.00 0.00 34.13 29.96 2kwp s GLU 74 CO 0.00 -0.07 -0.17 -1.50 0.01 0.00 0.00 175.26 173.52 2kwp s ILE 75 N -1.91 1.42 0.88 -1.63 2.07 0.45 -3.87 121.20 118.61 2kwp s ILE 75 Ca -0.12 -0.73 -0.12 0.00 -1.41 0.00 0.00 60.65 58.28 2kwp s ILE 75 Cb -0.06 -1.21 0.12 0.00 0.13 0.00 0.00 42.46 41.43 2kwp s ILE 75 CO -0.02 0.41 1.10 0.42 -1.91 0.00 0.00 174.94 174.93 2kwp s THR 76 N -0.09 2.67 0.11 4.00 -4.23 -1.26 0.17 115.64 117.02 2kwp s THR 76 Ca -0.01 0.22 -0.16 0.00 -1.18 0.00 0.00 61.69 60.56 2kwp s THR 76 Cb -0.10 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 2kwp s THR 76 CO 0.01 -0.28 1.59 0.25 -0.54 0.00 0.00 174.62 175.65 2kwp h LEU 77 N -1.45 0.57 0.08 4.79 5.85 -0.77 -0.21 115.31 124.18 2kwp h LEU 77 Ca -0.49 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 57.97 2kwp h LEU 77 Cb 1.29 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2kwp h LEU 77 CO 0.57 0.69 -0.14 -0.08 -0.34 0.00 0.00 178.44 179.14 2kwp h GLU 78 N 0.43 -0.27 -0.52 1.25 4.81 -1.92 -0.43 114.58 117.92 2kwp h GLU 78 Ca 0.11 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2kwp h GLU 78 Cb 0.37 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 2kwp h GLU 78 CO 0.01 -0.18 0.31 0.00 -0.73 0.00 0.00 179.01 178.42 2kwp h ALA 79 N 0.60 1.57 -0.76 2.92 0.00 -1.91 -1.49 119.26 120.19 2kwp h ALA 79 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kwp h ALA 79 Cb 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2kwp h ALA 79 CO -0.08 0.37 0.31 0.00 0.00 0.00 0.00 179.25 179.85 2kwp h ALA 80 N 1.63 1.11 -0.51 0.00 0.00 -0.04 -1.63 119.26 119.81 2kwp h ALA 80 Ca 0.19 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2kwp h ALA 80 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2kwp h ALA 80 CO -0.04 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.83 2kwp h ARG 81 N 1.10 0.93 -0.47 0.00 3.08 -0.10 0.68 114.38 119.59 2kwp h ARG 81 Ca 0.26 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2kwp h ARG 81 Cb 0.20 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2kwp h ARG 81 CO -0.02 0.96 0.16 1.88 -1.07 0.00 0.00 179.97 181.88 2kwp h TYR 82 N 0.79 0.69 0.15 3.04 0.05 -0.98 -2.26 116.97 118.45 2kwp h TYR 82 Ca 0.14 -0.04 -0.31 0.00 0.05 0.00 0.00 58.73 58.57 2kwp h TYR 82 Cb 0.56 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2kwp h TYR 82 CO 0.04 0.56 -1.54 1.49 -1.05 0.00 0.00 178.16 177.66 2kwp h GLU 83 N 0.68 0.31 -0.78 4.88 4.81 -0.97 -3.45 114.58 120.05 2kwp h GLU 83 Ca 0.16 -0.53 0.07 0.00 -0.13 0.00 0.00 59.36 58.93 2kwp h GLU 83 Cb 0.19 0.20 -0.20 0.00 0.63 0.00 0.00 28.75 29.56 2kwp h GLU 83 CO -0.01 1.20 -0.29 -0.51 -0.73 0.00 0.00 179.01 178.67 2kwp s ASP 84 N -7.12 -1.26 0.61 1.04 1.01 0.23 -4.99 116.67 106.20 2kwp s ASP 84 Ca -0.10 -0.00 0.26 0.00 0.71 0.00 0.00 52.55 53.42 2kwp s ASP 84 Cb 0.06 1.75 1.27 0.00 1.01 0.00 0.00 42.92 47.02 2kwp s ASP 84 CO 0.87 -0.21 1.70 -0.33 0.21 0.00 0.00 175.17 177.40 2kwp h GLU 85 N 7.53 0.00 0.00 8.23 5.08 -1.54 1.16 114.58 135.05 2kwp h GLU 85 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2kwp h GLU 85 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kwp h GLU 85 CO 0.07 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.95 2kwp n SER 86 N -3.36 0.14 -4.78 1.42 3.41 -1.26 -4.67 113.62 104.52 2kwp n SER 86 Ca 0.09 0.55 -0.37 0.00 -0.26 0.00 0.00 58.87 58.88 2kwp n SER 86 Cb 0.84 -0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 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 -3.34 4.36 0.35 1.04 1.43 0.40 -5.06 118.68 117.86 2kwp s LEU 87 Ca 0.04 1.82 0.06 0.00 -1.03 0.00 0.00 54.13 55.02 2kwp s LEU 87 Cb 0.07 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.29 2kwp s LEU 87 CO 0.20 -0.05 0.23 0.20 0.23 0.00 0.00 176.35 177.17 2kwp s ASN 88 N -1.59 1.92 0.12 2.29 0.01 -1.26 -4.71 114.94 111.72 2kwp s ASN 88 Ca 0.49 -1.73 -0.31 0.00 -0.71 0.00 0.00 52.86 50.61 2kwp s ASN 88 Cb -0.19 0.54 -0.10 0.00 0.41 0.00 0.00 41.25 41.92 2kwp s ASN 88 CO 0.24 -1.02 1.75 -0.22 -1.51 0.00 0.00 177.10 176.34 2kwp s LEU 89 N -3.43 4.38 0.00 0.60 1.98 -1.26 -1.06 118.68 119.89 2kwp s LEU 89 Ca 0.36 2.69 0.00 0.00 -2.89 0.00 0.00 54.13 54.29 2kwp s LEU 89 Cb 0.03 -3.57 0.00 0.00 0.66 0.00 0.00 46.19 43.30 2kwp s LEU 89 CO 0.23 -0.96 0.00 0.61 -1.89 0.00 0.00 176.35 174.35 2kwp n GLY 90 N 4.10 0.75 3.96 7.98 0.00 -1.12 -5.00 105.19 115.86 2kwp n GLY 90 Ca 0.17 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 -0.35 0.00 0.00 0.00 173.32 172.97 2kwp s ASP 91 N -2.55 4.70 -0.12 1.61 2.15 -0.23 -4.82 116.67 117.41 2kwp s ASP 91 Ca 0.00 0.13 0.01 0.00 0.43 0.00 0.00 52.55 53.12 2kwp s ASP 91 Cb 0.00 -0.74 0.02 0.00 -0.30 0.00 0.00 42.92 41.90 2kwp s ASP 91 CO 0.00 -1.62 -0.13 -0.31 -0.17 0.00 0.00 175.17 172.94 2kwp s TYR 92 N -3.14 1.87 0.21 -5.34 2.02 -1.26 -1.26 117.35 110.45 2kwp s TYR 92 Ca 0.62 -0.95 -0.17 0.00 -0.37 0.00 0.00 57.07 56.20 2kwp s TYR 92 Cb -0.09 -1.41 -0.08 0.00 -0.40 0.00 0.00 41.96 39.99 2kwp s TYR 92 CO 0.44 -0.54 0.67 0.08 -1.57 0.00 0.00 175.55 174.63 2kwp s VAL 93 N 1.32 4.67 0.18 0.71 1.01 0.36 -4.86 120.40 123.79 2kwp s VAL 93 Ca -0.00 1.10 0.11 0.00 0.00 0.00 0.00 61.98 63.18 2kwp s VAL 93 Cb -0.14 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2kwp s VAL 93 CO -0.06 0.17 -0.21 -1.61 0.00 0.00 0.00 175.10 173.39 2kwp s GLU 94 N -2.10 1.63 -0.09 2.72 2.02 -1.26 -0.94 118.70 120.68 2kwp s GLU 94 Ca 0.43 -1.43 -0.21 0.00 0.02 0.00 0.00 54.97 53.78 2kwp s GLU 94 Cb -0.15 -1.93 0.05 0.00 0.10 0.00 0.00 34.13 32.19 2kwp s GLU 94 CO 0.20 0.42 0.50 0.34 0.02 0.00 0.00 175.26 176.74 2kwp s ASP 95 N -2.60 -0.46 -0.16 -0.19 2.15 0.44 -4.91 116.67 110.94 2kwp s ASP 95 Ca 0.21 0.62 -0.12 0.00 0.43 0.00 0.00 52.55 53.68 2kwp s ASP 95 Cb -0.08 0.64 -0.05 0.00 -0.30 0.00 0.00 42.92 43.13 2kwp s ASP 95 CO 0.10 -0.41 0.23 -1.58 -0.17 0.00 0.00 175.17 173.35 2kwp s GLN 96 N -0.73 4.12 0.11 4.34 0.74 -1.26 0.15 119.66 127.13 2kwp s GLN 96 Ca -0.08 -0.01 0.04 0.00 0.05 0.00 0.00 55.36 55.36 2kwp s GLN 96 Cb -0.03 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 2kwp s GLN 96 CO 0.05 0.34 -0.11 0.96 -0.55 0.00 0.00 175.29 175.98 2kwp s ILE 97 N 0.18 1.04 0.26 -2.34 -4.36 -0.83 -4.84 121.20 110.31 2kwp s ILE 97 Ca 0.14 -1.68 -0.27 0.00 -0.26 0.00 0.00 60.65 58.58 2kwp s ILE 97 Cb -0.12 -1.43 -0.16 0.00 1.25 0.00 0.00 42.46 42.00 2kwp s ILE 97 CO 0.03 -0.54 0.66 -0.62 0.24 0.00 0.00 174.94 174.71 2kwp n GLU 98 N 0.50 0.50 -2.57 0.37 1.02 -1.26 -4.18 120.64 115.02 2kwp n GLU 98 Ca -0.16 0.18 -0.25 0.00 -0.02 0.00 0.00 57.16 56.91 2kwp n GLU 98 Cb 0.58 -1.32 0.03 0.00 -0.02 0.00 0.00 31.44 30.71 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kwp s SER 99 N -0.85 5.48 -0.10 1.62 1.04 -1.26 -4.59 113.70 115.04 2kwp s SER 99 Ca 0.62 0.43 -0.06 0.00 0.48 0.00 0.00 55.95 57.42 2kwp s SER 99 Cb -0.81 -1.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 2kwp s SER 99 CO 0.58 -1.06 0.14 0.54 0.98 0.00 0.00 173.24 174.42 2kwp s VAL 100 N -2.87 5.45 0.72 5.02 0.11 -1.26 -4.96 120.40 122.61 2kwp s VAL 100 Ca 0.54 0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.59 2kwp s VAL 100 Cb -0.10 -3.41 0.02 0.00 -1.53 0.00 0.00 36.38 31.36 2kwp s VAL 100 CO 0.42 0.56 1.07 0.42 -3.33 0.00 0.00 175.10 174.24 2kwp s THR 101 N -1.09 3.78 -0.13 5.04 -4.23 -1.26 -5.00 115.64 112.76 2kwp s THR 101 Ca 0.18 0.58 -0.23 0.00 -1.18 0.00 0.00 61.69 61.03 2kwp s THR 101 Cb -0.12 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.37 2kwp s THR 101 CO 0.07 -0.76 0.72 0.12 -0.54 0.00 0.00 174.62 174.24 2kwp s PHE 102 N -3.08 3.48 0.33 3.99 5.36 -1.26 -5.03 117.98 121.78 2kwp s PHE 102 Ca 0.59 1.18 -0.28 0.00 -0.96 0.00 0.00 56.93 57.45 2kwp s PHE 102 Cb -0.14 -2.87 -0.10 0.00 -0.34 0.00 0.00 43.02 39.58 2kwp s PHE 102 CO 0.55 -0.07 1.19 -0.51 -1.46 0.00 0.00 175.22 174.92 2kwp s ASP 103 N 1.00 6.91 0.33 6.13 1.01 -1.26 -5.04 116.67 125.75 2kwp s ASP 103 Ca 0.36 2.45 0.09 0.00 0.71 0.00 0.00 52.55 56.15 2kwp s ASP 103 Cb -0.17 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.08 2kwp s ASP 103 CO 0.15 -0.41 0.02 -0.13 0.21 0.00 0.00 175.17 175.00 2kwp s ARG 104 N -1.78 2.13 0.00 8.23 0.52 -1.26 -4.25 118.95 122.55 2kwp s ARG 104 Ca 0.49 -1.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 2kwp s ARG 104 Cb -0.35 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.13 2kwp s ARG 104 CO 0.45 0.17 0.00 -0.89 0.02 0.00 0.00 175.30 175.05 2kwp n ILE 105 N -0.96 0.00 0.28 1.52 -0.00 -1.26 -3.95 119.36 115.00 2kwp n ILE 105 Ca -0.04 0.00 0.02 0.00 -0.00 0.00 0.00 62.75 62.73 2kwp n ILE 105 Cb 0.62 0.00 0.15 0.00 -0.00 0.00 0.00 39.64 40.40 2kwp n ILE 105 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2kwp n THR 106 N 0.00 1.07 0.29 1.39 -2.24 -1.26 -4.24 114.28 109.28 2kwp n THR 106 Ca 0.00 -0.53 0.15 0.00 -2.27 0.00 0.00 64.05 61.40 2kwp n THR 106 Cb 0.00 -0.43 0.80 0.00 -2.10 0.00 0.00 70.33 68.59 2kwp n THR 106 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2kwp h THR 107 N 1.45 0.00 -1.54 4.28 1.35 -1.74 -2.06 112.91 114.66 2kwp h THR 107 Ca 0.01 0.00 0.45 0.00 -0.55 0.00 0.00 66.41 66.32 2kwp h THR 107 Cb 1.09 0.65 -0.08 0.00 -1.73 0.00 0.00 68.15 68.08 2kwp h THR 107 CO 0.20 0.00 1.08 1.56 -0.25 0.00 0.00 175.52 178.11 2kwp h GLN 108 N 0.00 0.04 -0.59 4.72 4.20 -1.94 1.33 115.11 122.86 2kwp h GLN 108 Ca 0.00 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2kwp h GLN 108 Cb 0.43 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 2kwp h GLN 108 CO 0.00 0.02 0.13 1.15 -0.67 0.00 0.00 178.83 179.47 2kwp h THR 109 N 0.04 1.24 0.00 -0.54 2.02 -1.75 -1.77 112.91 112.14 2kwp h THR 109 Ca 0.77 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2kwp h THR 109 Cb 2.92 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.98 2kwp h THR 109 CO -0.10 0.33 -0.13 0.00 0.37 0.00 0.00 175.52 175.99 2kwp h ALA 110 N 1.26 1.35 -0.01 6.16 0.00 0.15 -1.86 119.26 126.31 2kwp h ALA 110 Ca 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2kwp h ALA 110 Cb 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2kwp h ALA 110 CO 0.00 0.17 -0.54 -0.22 0.00 0.00 0.00 179.25 178.66 2kwp h LYS 111 N 0.00 0.02 -0.56 0.00 1.63 -1.20 -2.98 116.57 113.49 2kwp h LYS 111 Ca -0.00 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2kwp h LYS 111 Cb 0.34 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 2kwp h LYS 111 CO 0.02 0.56 0.32 1.96 -3.45 0.00 0.00 179.45 178.86 2kwp h GLN 112 N 0.02 0.77 -0.03 1.90 4.20 -1.26 -1.83 115.11 118.86 2kwp h GLN 112 Ca -0.00 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 2kwp h GLN 112 Cb 0.96 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 2kwp h GLN 112 CO 0.07 0.57 -0.34 -0.24 -0.67 0.00 0.00 178.83 178.22 2kwp h VAL 113 N 0.75 1.25 -0.68 -0.54 3.04 -1.59 -2.66 116.25 115.83 2kwp h VAL 113 Ca 0.20 -1.21 -0.08 0.00 -1.01 0.00 0.00 66.70 64.60 2kwp h VAL 113 Cb 0.01 1.61 -0.03 0.00 -2.01 0.00 0.00 31.29 30.87 2kwp h VAL 113 CO -0.03 0.35 0.13 0.40 -1.01 0.00 0.00 177.57 177.41 2kwp h ILE 114 N 0.06 1.26 -0.51 3.17 2.04 -1.20 -1.82 117.51 120.51 2kwp h ILE 114 Ca 0.01 -1.01 -0.12 0.00 1.00 0.00 0.00 64.86 64.73 2kwp h ILE 114 Cb 0.63 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2kwp h ILE 114 CO 0.05 0.38 -0.15 0.58 0.00 0.00 0.00 178.15 179.01 2kwp h VAL 115 N 1.04 1.27 -0.74 1.67 2.07 -1.10 -2.31 116.25 118.16 2kwp h VAL 115 Ca 0.21 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2kwp h VAL 115 Cb 0.42 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2kwp h VAL 115 CO 0.01 0.46 0.33 1.56 0.02 0.00 0.00 177.57 179.94 2kwp h GLN 116 N 0.87 1.08 -0.44 1.57 4.20 -1.23 0.45 115.11 121.63 2kwp h GLN 116 Ca 0.13 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 2kwp h GLN 116 Cb 0.72 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2kwp h GLN 116 CO 0.06 0.87 0.17 -0.22 -0.67 0.00 0.00 178.83 179.03 2kwp h LYS 117 N 1.05 0.66 -0.03 1.46 1.63 -1.17 -2.07 116.57 118.10 2kwp h LYS 117 Ca 0.25 -0.12 -0.15 0.00 -0.85 0.00 0.00 60.65 59.78 2kwp h LYS 117 Cb 0.17 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2kwp h LYS 117 CO -0.03 0.61 -0.66 0.28 -3.45 0.00 0.00 179.45 176.20 2kwp h VAL 118 N 0.57 1.43 0.00 2.00 2.07 -1.10 -2.97 116.25 118.25 2kwp h VAL 118 Ca 0.15 -2.17 -0.05 0.00 0.82 0.00 0.00 66.70 65.45 2kwp h VAL 118 Cb 0.20 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2kwp h VAL 118 CO -0.01 0.63 -0.22 -0.09 0.02 0.00 0.00 177.57 177.90 2kwp h ARG 119 N 0.11 0.00 0.00 1.57 2.43 0.27 -1.84 114.38 116.91 2kwp h ARG 119 Ca -0.01 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 2kwp h ARG 119 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2kwp h ARG 119 CO 0.10 0.22 -0.27 0.93 -1.51 0.00 0.00 179.97 179.43 2kwp h GLU 120 N 0.00 0.00 -0.26 0.20 4.39 -1.21 -2.23 114.58 115.47 2kwp h GLU 120 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2kwp h GLU 120 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2kwp h GLU 120 CO 0.03 0.27 -0.15 0.00 -1.16 0.00 0.00 179.01 178.00 2kwp h ALA 121 N 1.73 1.26 0.00 3.43 0.00 -1.42 -2.26 119.26 122.01 2kwp h ALA 121 Ca -0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2kwp h ALA 121 Cb 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kwp h ALA 121 CO 0.03 0.48 -0.49 0.93 0.00 0.00 0.00 179.25 180.21 2kwp h GLU 122 N 0.41 0.00 -0.71 0.00 5.08 -1.44 -3.03 114.58 114.89 2kwp h GLU 122 Ca 0.07 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 2kwp h GLU 122 Cb 0.51 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 2kwp h GLU 122 CO 0.03 0.49 0.34 -0.09 -1.00 0.00 0.00 179.01 178.78 2kwp h ARG 123 N 0.00 0.54 -5.70 2.33 2.43 -1.28 -3.39 114.38 109.31 2kwp h ARG 123 Ca -0.00 -0.03 -0.67 0.00 -0.81 0.00 0.00 59.98 58.47 2kwp h ARG 123 Cb 0.90 -0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 30.22 2kwp h ARG 123 CO 0.06 0.36 -0.53 0.00 -1.51 0.00 0.00 179.97 178.35 2kwp s ALA 124 N -6.05 3.65 0.24 2.80 0.00 -1.14 -4.99 121.76 116.25 2kwp s ALA 124 Ca -0.13 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 2kwp s ALA 124 Cb 0.18 -1.82 0.26 0.00 0.00 0.00 0.00 23.12 21.75 2kwp s ALA 124 CO 0.76 0.55 1.70 0.52 0.00 0.00 0.00 175.76 179.29 2kwp h MET 125 N 5.26 0.78 -5.62 0.00 2.86 -1.80 -3.42 114.93 112.98 2kwp h MET 125 Ca -0.52 -0.26 -0.66 0.00 -2.06 0.00 0.00 59.70 56.20 2kwp h MET 125 Cb 1.21 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.72 2kwp h MET 125 CO 0.59 0.86 -0.49 -0.51 1.06 0.00 0.00 176.91 178.42 2kwp s LEU 126 N -9.03 4.33 0.08 1.22 1.02 -1.26 -5.03 118.68 110.00 2kwp s LEU 126 Ca -0.09 0.43 -0.32 0.00 0.02 0.00 0.00 54.13 54.16 2kwp s LEU 126 Cb 0.14 -2.06 -0.11 0.00 0.02 0.00 0.00 46.19 44.18 2kwp s LEU 126 CO 0.82 0.38 1.83 1.33 0.02 0.00 0.00 176.35 180.73 2kwp n VAL 127 N 2.15 0.41 -2.30 -1.59 0.24 -1.26 -4.93 118.33 111.04 2kwp n VAL 127 Ca -0.20 -0.07 -0.37 0.00 -2.04 0.00 0.00 64.34 61.66 2kwp n VAL 127 Cb 0.55 -2.02 -0.01 0.00 -1.47 0.00 0.00 33.84 30.89 2kwp n VAL 127 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2kwp s PRO 128 N 2.94 3.79 0.00 7.34 0.04 -1.26 -5.17 135.00 142.68 2kwp s PRO 128 Ca 0.84 1.73 0.29 0.00 0.04 0.00 0.00 61.00 63.90 2kwp s PRO 128 Cb -0.54 -2.40 1.16 0.00 0.04 0.00 0.00 34.50 32.76 2kwp s PRO 128 CO 0.41 -0.51 1.81 0.54 0.04 0.00 0.00 177.00 179.28