#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkw s SER 2 N 0.00 0.02 -0.18 1.61 0.01 -1.26 -5.15 113.70 108.75 2dkw s SER 2 Ca 0.00 -0.64 -0.05 0.00 1.31 0.00 0.00 55.95 56.57 2dkw s SER 2 Cb 0.00 0.40 -0.03 0.00 0.21 0.00 0.00 66.02 66.60 2dkw s SER 2 CO 0.00 -0.80 -0.01 -0.44 0.41 0.00 0.00 173.24 172.40 2dkw s SER 3 N -2.88 4.93 0.00 2.44 0.01 -1.26 -4.93 113.70 112.02 2dkw s SER 3 Ca 0.08 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2dkw s SER 3 Cb 0.04 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2dkw s SER 3 CO -0.08 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2dkw n GLY 4 N 3.85 -2.32 3.86 3.44 0.00 -1.26 -4.95 105.19 107.81 2dkw n GLY 4 Ca -0.17 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 2dkw n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkw s SER 5 N 0.00 6.66 0.21 1.61 1.04 -1.26 -4.89 113.70 117.07 2dkw s SER 5 Ca 0.00 1.24 -0.04 0.00 0.48 0.00 0.00 55.95 57.63 2dkw s SER 5 Cb 0.00 -2.36 0.02 0.00 0.10 0.00 0.00 66.02 63.78 2dkw s SER 5 CO 0.00 -0.31 0.36 -1.54 0.98 0.00 0.00 173.24 172.73 2dkw n SER 6 N -0.83 -1.02 0.00 7.02 3.41 -1.26 -4.87 113.62 116.06 2dkw n SER 6 Ca 0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 2dkw n SER 6 Cb 0.54 1.79 0.00 0.00 -0.26 0.00 0.00 64.21 66.27 2dkw n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkw n GLY 7 N -0.32 1.69 0.34 5.00 0.00 -1.26 -4.07 105.19 106.58 2dkw n GLY 7 Ca -0.02 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.20 2dkw n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2dkw h ASN 8 N 0.00 0.62 -0.89 1.61 2.35 -2.00 -1.18 115.58 116.09 2dkw h ASN 8 Ca 0.00 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2dkw h ASN 8 Cb 0.00 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 2dkw h ASN 8 CO 0.00 0.42 0.59 0.74 -1.65 0.00 0.00 177.43 177.53 2dkw h THR 9 N 0.72 1.21 -0.04 2.81 2.02 -1.91 -2.94 112.91 114.78 2dkw h THR 9 Ca 0.26 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 2dkw h THR 9 Cb 0.13 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2dkw h THR 9 CO -0.07 0.22 -0.22 -0.07 0.37 0.00 0.00 175.52 175.74 2dkw h LEU 10 N 1.19 0.26 -0.96 2.58 3.38 -1.67 -3.19 115.31 116.90 2dkw h LEU 10 Ca 0.33 -0.67 0.17 0.00 0.09 0.00 0.00 57.88 57.80 2dkw h LEU 10 Cb -0.11 -0.08 -0.17 0.00 0.09 0.00 0.00 40.66 40.39 2dkw h LEU 10 CO -0.08 0.89 -0.30 -1.14 0.09 0.00 0.00 178.44 177.90 2dkw n ARG 11 N -4.53 -0.15 0.01 1.13 0.63 -0.53 0.17 116.66 113.39 2dkw n ARG 11 Ca -0.09 1.49 -0.11 0.00 -0.92 0.00 0.00 57.85 58.22 2dkw n ARG 11 Cb 0.45 -2.22 -0.06 0.00 0.45 0.00 0.00 32.46 31.09 2dkw n ARG 11 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2dkw h GLU 12 N 0.00 0.09 -0.46 -0.14 4.39 -1.60 -2.89 114.58 113.97 2dkw h GLU 12 Ca 0.41 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.19 2dkw h GLU 12 Cb 0.65 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.19 2dkw h GLU 12 CO -0.97 0.11 -0.09 1.25 -1.16 0.00 0.00 179.01 178.15 2dkw h LEU 13 N 0.05 -0.37 0.01 1.33 5.85 -0.26 0.98 115.31 122.90 2dkw h LEU 13 Ca 0.02 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.89 2dkw h LEU 13 Cb 0.04 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 2dkw h LEU 13 CO -0.00 -0.13 -0.50 -0.09 -0.34 0.00 0.00 178.44 177.37 2dkw h ARG 14 N 0.02 -0.61 -0.49 1.25 2.43 -0.79 0.56 114.38 116.75 2dkw h ARG 14 Ca 0.22 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.50 2dkw h ARG 14 Cb 0.34 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 2dkw h ARG 14 CO -0.45 -0.41 0.19 -0.07 -1.51 0.00 0.00 179.97 177.72 2dkw h LEU 15 N -0.64 0.21 0.08 3.80 3.38 -1.26 0.80 115.31 121.69 2dkw h LEU 15 Ca 0.01 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2dkw h LEU 15 Cb 0.68 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2dkw h LEU 15 CO -0.33 0.15 -0.46 0.15 0.09 0.00 0.00 178.44 178.04 2dkw h PHE 16 N 0.38 -1.32 0.73 1.13 3.57 -0.16 0.11 116.94 121.38 2dkw h PHE 16 Ca 0.23 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 2dkw h PHE 16 Cb 0.23 0.57 0.01 0.00 2.79 0.00 0.00 35.95 39.54 2dkw h PHE 16 CO -0.15 -0.55 -0.37 -0.07 -2.23 0.00 0.00 178.31 174.95 2dkw h LEU 17 N -0.67 -0.87 -0.92 0.59 3.38 -0.63 -2.59 115.31 113.60 2dkw h LEU 17 Ca 0.02 0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.29 2dkw h LEU 17 Cb 0.71 0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 2dkw h LEU 17 CO -0.29 -0.61 0.31 -0.09 0.09 0.00 0.00 178.44 177.85 2dkw h ARG 18 N -1.00 0.21 -0.71 1.13 2.43 -0.70 0.78 114.38 116.52 2dkw h ARG 18 Ca -0.10 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2dkw h ARG 18 Cb 0.78 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 2dkw h ARG 18 CO 0.16 0.14 0.42 0.22 -1.51 0.00 0.00 179.97 179.40 2dkw h ASP 19 N 0.22 0.85 0.23 -3.80 1.82 -0.50 -0.72 116.42 114.52 2dkw h ASP 19 Ca 0.61 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 57.19 2dkw h ASP 19 Cb 1.28 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.08 2dkw h ASP 19 CO -0.67 0.66 -0.11 0.58 -1.61 0.00 0.00 179.24 178.09 2dkw h VAL 20 N 0.98 0.00 -0.73 2.25 2.07 0.90 -2.56 116.25 119.16 2dkw h VAL 20 Ca 0.26 -0.21 0.16 0.00 0.82 0.00 0.00 66.70 67.73 2dkw h VAL 20 Cb -0.03 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.61 2dkw h VAL 20 CO -0.05 0.00 0.04 0.74 0.02 0.00 0.00 177.57 178.32 2dkw h THR 21 N -0.51 0.40 0.32 2.57 2.02 -1.24 -1.68 112.91 114.79 2dkw h THR 21 Ca -0.03 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 2dkw h THR 21 Cb 0.23 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 2dkw h THR 21 CO 0.05 0.02 -0.49 0.50 0.37 0.00 0.00 175.52 175.98 2dkw h LYS 22 N 0.13 -0.83 -0.80 6.66 3.64 -1.22 -1.10 116.57 123.06 2dkw h LYS 22 Ca 0.40 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 60.02 2dkw h LYS 22 Cb 0.69 0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 32.56 2dkw h LYS 22 CO -0.61 -0.55 -0.01 -0.09 -2.27 0.00 0.00 179.45 175.91 2dkw h ARG 23 N -0.86 0.08 0.06 1.90 9.65 -0.89 0.47 114.38 124.79 2dkw h ARG 23 Ca -0.03 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2dkw h ARG 23 Cb 0.80 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.34 2dkw h ARG 23 CO -0.16 0.05 -0.10 -0.07 2.80 0.00 0.00 179.97 182.50 2dkw h LEU 24 N 0.08 -0.28 0.33 3.80 3.38 -0.86 -2.75 115.31 119.02 2dkw h LEU 24 Ca 0.44 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 2dkw h LEU 24 Cb 0.78 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2dkw h LEU 24 CO -0.72 -0.15 -0.36 0.00 0.09 0.00 0.00 178.44 177.30 2dkw h ALA 25 N 0.73 -1.02 -0.90 1.53 0.00 0.29 -2.40 119.26 117.48 2dkw h ALA 25 Ca 0.02 -0.13 0.31 0.00 0.00 0.00 0.00 54.91 55.12 2dkw h ALA 25 Cb 0.22 0.60 -0.16 0.00 0.00 0.00 0.00 17.79 18.45 2dkw h ALA 25 CO -0.06 -1.05 0.26 0.25 0.00 0.00 0.00 179.25 178.65 2dkw n THR 26 N -4.53 -0.38 -2.10 0.00 -2.24 -0.22 -3.99 114.28 100.81 2dkw n THR 26 Ca -0.08 1.89 -0.43 0.00 -2.27 0.00 0.00 64.05 63.16 2dkw n THR 26 Cb 0.32 -2.92 -0.03 0.00 -2.10 0.00 0.00 70.33 65.60 2dkw n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dkw s ASP 27 N -4.78 6.06 0.46 3.42 1.01 -0.90 -4.85 116.67 117.10 2dkw s ASP 27 Ca -0.10 1.22 0.35 0.00 0.71 0.00 0.00 52.55 54.73 2dkw s ASP 27 Cb 0.29 -2.53 1.51 0.00 1.01 0.00 0.00 42.92 43.20 2dkw s ASP 27 CO 0.70 -1.58 1.60 0.11 0.21 0.00 0.00 175.17 176.21 2dkw h LYS 28 N 12.06 0.03 -0.42 8.23 1.79 -1.82 0.21 116.57 136.66 2dkw h LYS 28 Ca -0.32 -0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.23 2dkw h LYS 28 Cb 1.15 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.70 2dkw h LYS 28 CO 1.04 0.02 -0.33 -0.09 -1.08 0.00 0.00 179.45 179.01 2dkw h ARG 29 N 0.03 -0.24 -1.58 3.15 2.43 -1.87 -1.54 114.38 114.77 2dkw h ARG 29 Ca 0.86 0.02 -0.71 0.00 -0.81 0.00 0.00 59.98 59.34 2dkw h ARG 29 Cb 2.89 0.05 -0.30 0.00 -0.42 0.00 0.00 29.97 32.19 2dkw h ARG 29 CO -0.37 -0.16 0.70 1.19 -1.51 0.00 0.00 179.97 179.82 2dkw n PHE 30 N -5.42 3.09 -0.07 2.20 3.72 0.74 -4.44 117.46 117.29 2dkw n PHE 30 Ca 0.01 -2.61 -0.09 0.00 -0.05 0.00 0.00 57.45 54.71 2dkw n PHE 30 Cb 0.34 -1.09 -0.07 0.00 -0.94 0.00 0.00 39.48 37.71 2dkw n PHE 30 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2dkw n ASN 31 N -0.66 2.69 0.15 4.37 2.85 -0.58 -3.99 115.26 120.10 2dkw n ASN 31 Ca 0.54 -0.06 0.09 0.00 -0.11 0.00 0.00 54.58 55.04 2dkw n ASN 31 Cb 0.45 0.01 0.46 0.00 1.24 0.00 0.00 39.78 41.94 2dkw n ASN 31 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2dkw n ILE 32 N -2.81 0.94 0.02 -1.44 -5.35 -1.26 -0.03 119.36 109.44 2dkw n ILE 32 Ca -0.24 0.72 0.01 0.00 -0.27 0.00 0.00 62.75 62.97 2dkw n ILE 32 Cb 0.80 -1.72 -0.09 0.00 -1.74 0.00 0.00 39.64 36.89 2dkw n ILE 32 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2dkw n PHE 33 N -2.12 0.83 0.31 4.28 3.72 -1.26 -3.97 117.46 119.25 2dkw n PHE 33 Ca -0.01 0.27 0.19 0.00 -0.05 0.00 0.00 57.45 57.85 2dkw n PHE 33 Cb 0.14 -1.03 1.06 0.00 -0.94 0.00 0.00 39.48 38.71 2dkw n PHE 33 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2dkw h SER 34 N 0.00 0.00 -2.48 4.37 4.64 -0.66 -3.35 113.55 116.07 2dkw h SER 34 Ca -0.17 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.59 2dkw h SER 34 Cb 1.55 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.50 2dkw h SER 34 CO 0.04 0.00 -0.73 -0.54 -0.87 0.00 0.00 176.83 174.73 2dkw s LYS 35 N -4.37 1.61 -0.39 4.77 1.02 -1.24 -4.17 119.74 116.96 2dkw s LYS 35 Ca -0.05 -1.76 -0.28 0.00 0.02 0.00 0.00 55.97 53.90 2dkw s LYS 35 Cb 0.14 -1.54 -0.01 0.00 -0.52 0.00 0.00 37.83 35.90 2dkw s LYS 35 CO 0.47 0.23 1.73 -1.25 -0.92 0.00 0.00 175.35 175.61 2dkw s PRO 36 N -3.58 3.28 0.00 -1.68 0.04 -1.26 -4.85 135.00 126.95 2dkw s PRO 36 Ca 0.29 1.20 0.32 0.00 0.04 0.00 0.00 61.00 62.84 2dkw s PRO 36 Cb -0.02 -4.19 1.81 0.00 0.04 0.00 0.00 34.50 32.14 2dkw s PRO 36 CO 0.13 -1.93 2.18 1.33 0.04 0.00 0.00 177.00 178.75 2dkw n VAL 37 N 7.31 0.00 -0.03 -0.36 0.24 -1.26 -3.50 118.33 120.73 2dkw n VAL 37 Ca 0.21 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.34 62.39 2dkw n VAL 37 Cb 0.48 -0.46 0.02 0.00 -1.47 0.00 0.00 33.84 32.41 2dkw n VAL 37 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2dkw h SER 38 N 0.08 0.74 -2.48 -1.34 0.02 -1.89 -3.43 113.55 105.26 2dkw h SER 38 Ca 0.00 -0.39 -0.09 0.00 -0.84 0.00 0.00 61.79 60.46 2dkw h SER 38 Cb 0.07 -0.21 0.04 0.00 0.14 0.00 0.00 62.40 62.43 2dkw h SER 38 CO 0.00 1.14 -0.18 -0.67 -1.14 0.00 0.00 176.83 175.98 2dkw n ASP 39 N -3.98 -2.69 -3.46 3.07 2.03 -1.23 -4.91 116.55 105.38 2dkw n ASP 39 Ca -0.03 -0.14 -0.11 0.00 0.52 0.00 0.00 54.79 55.02 2dkw n ASP 39 Cb 0.61 -1.65 -0.02 0.00 -0.72 0.00 0.00 41.12 39.34 2dkw n ASP 39 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2dkw s TYR 40 N -3.08 -0.48 -0.17 -0.67 6.14 -1.26 -5.14 117.35 112.69 2dkw s TYR 40 Ca 0.09 0.27 -0.18 0.00 0.64 0.00 0.00 57.07 57.89 2dkw s TYR 40 Cb -0.04 0.56 -0.03 0.00 0.42 0.00 0.00 41.96 42.87 2dkw s TYR 40 CO 0.18 -0.80 0.51 -0.48 0.64 0.00 0.00 175.55 175.60 2dkw s LEU 41 N -2.70 4.19 -1.21 6.97 0.05 -1.26 -4.24 118.68 120.48 2dkw s LEU 41 Ca 0.02 0.72 -0.01 0.00 0.05 0.00 0.00 54.13 54.91 2dkw s LEU 41 Cb -0.01 -2.71 -0.01 0.00 -2.05 0.00 0.00 46.19 41.41 2dkw s LEU 41 CO -0.11 -0.13 0.90 -0.62 -0.55 0.00 0.00 176.35 175.84 2dkw n GLU 42 N 4.44 -5.40 -0.00 1.48 -0.58 -1.26 -4.92 120.64 114.40 2dkw n GLU 42 Ca -0.05 0.77 0.06 0.00 -0.42 0.00 0.00 57.16 57.52 2dkw n GLU 42 Cb 0.51 -5.61 -0.09 0.00 -0.57 0.00 0.00 31.44 25.68 2dkw n GLU 42 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2dkw n VAL 43 N -4.06 0.00 -3.49 2.62 3.14 -1.26 -4.88 118.33 110.40 2dkw n VAL 43 Ca -0.26 -0.26 -0.42 0.00 -2.96 0.00 0.00 64.34 60.44 2dkw n VAL 43 Cb 0.66 0.45 -0.08 0.00 -1.06 0.00 0.00 33.84 33.81 2dkw n VAL 43 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2dkw s ILE 44 N -2.63 4.69 0.30 1.55 1.09 -1.26 -4.95 121.20 119.98 2dkw s ILE 44 Ca -0.02 -1.33 0.04 0.00 -1.10 0.00 0.00 60.65 58.24 2dkw s ILE 44 Cb 0.08 -3.88 0.32 0.00 -1.06 0.00 0.00 42.46 37.91 2dkw s ILE 44 CO 0.50 -0.60 1.65 0.11 -0.10 0.00 0.00 174.94 176.50 2dkw h LYS 45 N 8.59 0.22 -3.37 2.79 6.56 -2.03 -3.21 116.57 126.13 2dkw h LYS 45 Ca -0.25 -0.01 -0.63 0.00 -1.06 0.00 0.00 60.65 58.69 2dkw h LYS 45 Cb 1.09 -0.05 -0.41 0.00 -0.57 0.00 0.00 32.23 32.30 2dkw h LYS 45 CO 0.84 0.15 -0.68 -1.21 -2.06 0.00 0.00 179.45 176.49 2dkw s GLU 46 N -5.88 1.62 -0.33 3.15 2.02 -1.26 -5.08 118.70 112.93 2dkw s GLU 46 Ca -0.12 -2.26 -0.29 0.00 0.02 0.00 0.00 54.97 52.33 2dkw s GLU 46 Cb 0.27 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 2dkw s GLU 46 CO 0.78 -1.11 1.68 -1.25 0.02 0.00 0.00 175.26 175.38 2dkw s PRO 47 N 0.15 3.46 -0.51 0.39 0.04 -1.22 -4.94 135.00 132.36 2dkw s PRO 47 Ca 0.16 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.59 2dkw s PRO 47 Cb -0.24 -4.13 0.16 0.00 0.04 0.00 0.00 34.50 30.32 2dkw s PRO 47 CO -0.02 -1.71 0.35 1.41 0.04 0.00 0.00 177.00 177.07 2dkw s MET 48 N 5.35 1.51 0.21 4.56 1.75 -1.26 -5.03 119.30 126.39 2dkw s MET 48 Ca 0.75 -2.44 0.07 0.00 -1.25 0.00 0.00 55.69 52.82 2dkw s MET 48 Cb -0.21 -2.36 -0.04 0.00 2.84 0.00 0.00 34.83 35.07 2dkw s MET 48 CO 0.33 -1.27 0.08 0.16 -0.65 0.00 0.00 175.02 173.66 2dkw s ASP 49 N -0.28 5.07 0.58 1.11 1.47 -1.26 -4.56 116.67 118.80 2dkw s ASP 49 Ca 0.25 -0.35 0.28 0.00 1.18 0.00 0.00 52.55 53.91 2dkw s ASP 49 Cb -0.09 -1.17 1.51 0.00 -0.34 0.00 0.00 42.92 42.83 2dkw s ASP 49 CO -0.11 0.04 1.96 -0.07 0.68 0.00 0.00 175.17 177.66 2dkw h LEU 50 N 2.17 0.00 0.56 2.11 3.38 -1.74 -2.37 115.31 119.43 2dkw h LEU 50 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 2dkw h LEU 50 Cb 1.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.98 2dkw h LEU 50 CO 0.60 0.00 -0.27 -1.28 0.09 0.00 0.00 178.44 177.58 2dkw h SER 51 N 0.00 -0.64 -0.84 -0.43 0.87 -1.90 -2.41 113.55 108.19 2dkw h SER 51 Ca 0.19 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.94 2dkw h SER 51 Cb 1.00 0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 63.07 2dkw h SER 51 CO -0.00 -0.41 0.55 0.00 -0.53 0.00 0.00 176.83 176.45 2dkw h THR 52 N -0.86 0.78 0.08 2.23 1.03 -1.79 -1.69 112.91 112.68 2dkw h THR 52 Ca -0.08 -0.18 0.01 0.00 -0.01 0.00 0.00 66.41 66.15 2dkw h THR 52 Cb 0.58 0.22 -0.02 0.00 -1.07 0.00 0.00 68.15 67.86 2dkw h THR 52 CO 0.13 0.09 -0.12 0.58 -0.01 0.00 0.00 175.52 176.20 2dkw h VAL 53 N 0.52 0.73 -0.90 0.00 2.07 -1.36 0.12 116.25 117.43 2dkw h VAL 53 Ca 0.43 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.99 2dkw h VAL 53 Cb 0.89 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 2dkw h VAL 53 CO -0.17 0.00 0.59 0.40 0.02 0.00 0.00 177.57 178.41 2dkw h ILE 54 N -0.24 1.11 -0.32 4.57 2.04 -0.80 -2.28 117.51 121.59 2dkw h ILE 54 Ca 0.02 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 2dkw h ILE 54 Cb 0.25 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 2dkw h ILE 54 CO -0.06 0.20 -0.16 0.74 0.00 0.00 0.00 178.15 178.87 2dkw h THR 55 N 1.08 1.29 -0.90 -0.27 2.02 -1.03 -2.75 112.91 112.36 2dkw h THR 55 Ca 0.37 -1.27 0.12 0.00 0.77 0.00 0.00 66.41 66.40 2dkw h THR 55 Cb 0.10 1.43 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 2dkw h THR 55 CO -0.12 0.41 0.58 0.11 0.37 0.00 0.00 175.52 176.87 2dkw h LYS 56 N 0.45 0.76 -0.32 6.66 1.57 -0.21 0.27 116.57 125.75 2dkw h LYS 56 Ca 0.07 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 2dkw h LYS 56 Cb 0.70 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2dkw h LYS 56 CO 0.05 0.50 -0.44 0.82 -0.57 0.00 0.00 179.45 179.80 2dkw h ILE 57 N 0.78 1.28 -0.45 1.86 2.04 -1.34 0.24 117.51 121.92 2dkw h ILE 57 Ca 0.44 -1.63 -0.11 0.00 1.00 0.00 0.00 64.86 64.56 2dkw h ILE 57 Cb 0.59 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2dkw h ILE 57 CO -0.20 0.53 -0.15 -0.78 0.00 0.00 0.00 178.15 177.55 2dkw h ASP 58 N 0.66 0.86 -0.26 1.72 1.82 -0.89 -2.73 116.42 117.61 2dkw h ASP 58 Ca 0.04 -0.29 -0.14 0.00 -0.39 0.00 0.00 57.03 56.25 2dkw h ASP 58 Cb 1.02 -0.23 -0.08 0.00 0.68 0.00 0.00 39.33 40.72 2dkw h ASP 58 CO 0.10 1.01 0.18 0.29 -1.61 0.00 0.00 179.24 179.21 2dkw n LYS 59 N -4.14 1.34 -4.20 0.28 4.01 -0.05 -4.84 118.16 110.56 2dkw n LYS 59 Ca 0.01 -0.80 -0.33 0.00 -0.51 0.00 0.00 58.31 56.68 2dkw n LYS 59 Cb 0.40 -1.31 -0.08 0.00 -0.51 0.00 0.00 35.03 33.53 2dkw n LYS 59 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2dkw n HIS 60 N 0.11 -1.10 -0.07 2.13 8.25 -1.03 -4.82 115.22 118.69 2dkw n HIS 60 Ca 0.16 0.59 -0.13 0.00 -0.26 0.00 0.00 57.72 58.07 2dkw n HIS 60 Cb 0.80 -2.16 -0.12 0.00 1.12 0.00 0.00 29.99 29.62 2dkw n HIS 60 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 2dkw h ASN 61 N -1.20 0.00 -3.03 0.41 -0.73 -0.72 -3.44 115.58 106.87 2dkw h ASN 61 Ca -0.58 -0.93 -0.57 0.00 1.87 0.00 0.00 56.30 56.10 2dkw h ASN 61 Cb 1.27 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.81 2dkw h ASN 61 CO 0.72 0.98 0.97 -0.31 -0.37 0.00 0.00 177.43 179.43 2dkw s TYR 62 N -2.18 2.65 -0.07 0.67 2.02 -1.24 -4.90 117.35 114.29 2dkw s TYR 62 Ca -0.18 0.86 -0.20 0.00 -0.37 0.00 0.00 57.07 57.17 2dkw s TYR 62 Cb -0.03 -3.81 -0.30 0.00 -0.40 0.00 0.00 41.96 37.43 2dkw s TYR 62 CO 0.65 -1.89 0.78 -0.07 -1.57 0.00 0.00 175.55 173.45 2dkw h LEU 63 N 10.66 0.42 -9.61 -1.29 3.38 -1.97 -3.48 115.31 113.42 2dkw h LEU 63 Ca -0.27 -0.92 -0.63 0.00 0.09 0.00 0.00 57.88 56.15 2dkw h LEU 63 Cb 1.11 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 2dkw h LEU 63 CO 1.01 1.45 -0.62 0.42 0.09 0.00 0.00 178.44 180.79 2dkw s THR 64 N -2.44 2.06 0.21 0.22 -4.23 -1.26 -4.76 115.64 105.45 2dkw s THR 64 Ca -0.16 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.38 2dkw s THR 64 Cb 0.02 -2.91 -0.10 0.00 1.34 0.00 0.00 72.50 70.84 2dkw s THR 64 CO 0.80 -0.05 1.47 0.00 -0.54 0.00 0.00 174.62 176.31 2dkw h ALA 65 N 1.83 0.71 -0.66 3.99 0.00 -1.93 -3.13 119.26 120.07 2dkw h ALA 65 Ca -0.44 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 53.73 2dkw h ALA 65 Cb 1.24 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2dkw h ALA 65 CO 0.78 0.91 0.15 -0.22 0.00 0.00 0.00 179.25 180.88 2dkw h LYS 66 N 0.04 1.07 -0.51 0.00 1.63 -1.98 -2.76 116.57 114.05 2dkw h LYS 66 Ca -0.02 -0.26 -0.08 0.00 -0.85 0.00 0.00 60.65 59.44 2dkw h LYS 66 Cb 1.35 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.82 2dkw h LYS 66 CO 0.11 0.96 0.00 -0.44 -3.45 0.00 0.00 179.45 176.63 2dkw h ASP 67 N 0.99 0.83 -0.24 4.20 3.32 -1.98 -2.68 116.42 120.86 2dkw h ASP 67 Ca 0.21 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2dkw h ASP 67 Cb 0.38 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2dkw h ASP 67 CO 0.00 0.89 0.12 0.15 -1.72 0.00 0.00 179.24 178.68 2dkw h PHE 68 N 0.80 0.23 -0.98 4.55 3.57 -1.44 -2.50 116.94 121.17 2dkw h PHE 68 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2dkw h PHE 68 Cb 0.47 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 2dkw h PHE 68 CO 0.03 0.13 0.63 -0.07 -2.23 0.00 0.00 178.31 176.79 2dkw h LEU 69 N 0.26 1.14 -1.54 0.59 3.38 -1.36 -1.93 115.31 115.84 2dkw h LEU 69 Ca 0.10 -0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.27 2dkw h LEU 69 Cb 0.02 -0.29 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 2dkw h LEU 69 CO -0.06 0.85 0.65 0.11 0.09 0.00 0.00 178.44 180.08 2dkw h LYS 70 N 1.34 0.32 -0.02 1.13 1.57 -1.11 0.61 116.57 120.40 2dkw h LYS 70 Ca 0.36 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.94 2dkw h LYS 70 Cb -0.12 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.13 2dkw h LYS 70 CO -0.07 0.21 -0.68 -0.44 -0.57 0.00 0.00 179.45 177.90 2dkw h ASP 71 N 0.33 0.64 -0.82 0.86 5.19 -1.28 -3.25 116.42 118.10 2dkw h ASP 71 Ca 0.52 -0.73 0.03 0.00 -0.62 0.00 0.00 57.03 56.23 2dkw h ASP 71 Cb 1.45 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 40.72 2dkw h ASP 71 CO -0.19 1.28 0.53 0.40 -3.12 0.00 0.00 179.24 178.14 2dkw h ILE 72 N 0.06 1.15 -0.43 0.35 1.08 -0.76 -1.52 117.51 117.43 2dkw h ILE 72 Ca -0.08 -0.36 0.07 0.00 -0.39 0.00 0.00 64.86 64.11 2dkw h ILE 72 Cb 1.36 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 2dkw h ILE 72 CO 0.13 0.19 0.29 -0.78 -0.69 0.00 0.00 178.15 177.30 2dkw h ASP 73 N 1.04 0.23 0.55 1.72 1.82 -1.18 0.22 116.42 120.83 2dkw h ASP 73 Ca 0.32 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 2dkw h ASP 73 Cb -0.02 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.94 2dkw h ASP 73 CO -0.10 0.15 0.00 -0.11 -1.61 0.00 0.00 179.24 177.57 2dkw n LEU 74 N -4.47 0.19 0.09 2.28 7.94 -0.58 -2.46 117.00 120.01 2dkw n LEU 74 Ca 0.06 0.55 -0.16 0.00 -1.11 0.00 0.00 56.01 55.35 2dkw n LEU 74 Cb 0.31 -0.52 -0.10 0.00 0.53 0.00 0.00 43.42 43.63 2dkw n LEU 74 CO 0.35 -0.35 0.02 0.40 -1.11 0.00 0.00 177.39 176.70 2dkw h ILE 75 N 0.00 1.43 0.07 1.96 2.04 -0.55 -2.69 117.51 119.76 2dkw h ILE 75 Ca 0.00 -2.76 -0.00 0.00 1.00 0.00 0.00 64.86 63.10 2dkw h ILE 75 Cb 0.28 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2dkw h ILE 75 CO 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 178.15 178.93 2dkw h SER 77 N -0.90 -0.79 -0.75 0.00 4.64 -1.68 -2.70 113.55 111.37 2dkw h SER 77 Ca -0.01 0.08 0.11 0.00 -0.47 0.00 0.00 61.79 61.50 2dkw h SER 77 Cb 0.59 0.28 -0.13 0.00 -0.31 0.00 0.00 62.40 62.84 2dkw h SER 77 CO 0.02 -0.40 -0.41 0.78 -0.87 0.00 0.00 176.83 175.95 2dkw h ASN 78 N -0.56 -1.46 -0.09 4.97 4.21 -1.63 -1.76 115.58 119.26 2dkw h ASN 78 Ca 0.01 0.27 0.02 0.00 1.21 0.00 0.00 56.30 57.81 2dkw h ASN 78 Cb 0.54 0.71 -0.04 0.00 -1.12 0.00 0.00 38.32 38.41 2dkw h ASN 78 CO -0.11 -0.30 -0.37 0.00 -1.29 0.00 0.00 177.43 175.36 2dkw h ALA 79 N 0.93 -0.75 -1.58 -0.83 0.00 -1.48 0.14 119.26 115.69 2dkw h ALA 79 Ca 0.24 -0.04 0.47 0.00 0.00 0.00 0.00 54.91 55.58 2dkw h ALA 79 Cb 0.56 0.87 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 2dkw h ALA 79 CO -0.80 -0.88 1.12 1.28 0.00 0.00 0.00 179.25 179.97 2dkw n LEU 80 N -4.51 0.04 -0.05 0.00 4.77 -0.68 -0.63 117.00 115.93 2dkw n LEU 80 Ca -0.04 0.91 -0.02 0.00 -0.03 0.00 0.00 56.01 56.83 2dkw n LEU 80 Cb 0.26 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2dkw n LEU 80 CO 0.06 -0.94 -0.18 -0.08 -1.33 0.00 0.00 177.39 174.92 2dkw h GLU 81 N 0.00 0.00 -3.94 3.23 4.57 -0.59 -3.40 114.58 114.45 2dkw h GLU 81 Ca 0.79 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 58.30 2dkw h GLU 81 Cb 3.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 31.65 2dkw h GLU 81 CO -0.09 0.00 3.01 0.66 -1.18 0.00 0.00 179.01 181.41 2dkw n TYR 82 N -4.25 2.85 -3.88 0.92 4.01 0.20 -4.78 117.16 112.24 2dkw n TYR 82 Ca -0.04 -2.65 -0.29 0.00 -0.16 0.00 0.00 57.90 54.76 2dkw n TYR 82 Cb 0.14 -2.29 -0.13 0.00 -0.31 0.00 0.00 39.34 36.74 2dkw n TYR 82 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2dkw s ASN 83 N 3.50 4.29 0.59 7.72 0.02 -1.16 -4.59 114.94 125.30 2dkw s ASN 83 Ca 0.52 -3.26 -0.18 0.00 -1.02 0.00 0.00 52.86 48.93 2dkw s ASN 83 Cb 0.14 -1.51 -0.04 0.00 0.02 0.00 0.00 41.25 39.87 2dkw s ASN 83 CO -0.03 -0.18 1.12 -2.16 0.02 0.00 0.00 177.10 175.87 2dkw s PRO 84 N -0.60 3.13 -0.11 -0.60 0.04 -1.26 -4.91 135.00 130.68 2dkw s PRO 84 Ca 0.20 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2dkw s PRO 84 Cb -0.17 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.49 2dkw s PRO 84 CO -0.07 -1.01 1.67 -3.47 0.04 0.00 0.00 177.00 174.16 2dkw n ASP 85 N -1.75 4.71 -0.29 6.66 2.03 -1.26 -4.38 116.55 122.27 2dkw n ASP 85 Ca 0.11 -2.53 -0.04 0.00 0.52 0.00 0.00 54.79 52.84 2dkw n ASP 85 Cb 0.51 -0.88 0.07 0.00 -0.72 0.00 0.00 41.12 40.11 2dkw n ASP 85 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2dkw h LYS 86 N 0.78 1.09 -4.81 -0.67 1.79 -1.97 -3.44 116.57 109.33 2dkw h LYS 86 Ca 0.12 -0.09 -0.27 0.00 -2.18 0.00 0.00 60.65 58.23 2dkw h LYS 86 Cb 1.13 -0.23 -0.16 0.00 -1.58 0.00 0.00 32.23 31.40 2dkw h LYS 86 CO 0.28 0.76 -0.71 -0.51 -1.08 0.00 0.00 179.45 178.19 2dkw s ASP 87 N -6.02 1.35 0.26 0.86 1.01 -1.26 -5.05 116.67 107.82 2dkw s ASP 87 Ca -0.13 -0.95 0.03 0.00 0.71 0.00 0.00 52.55 52.22 2dkw s ASP 87 Cb 0.16 0.05 0.33 0.00 1.01 0.00 0.00 42.92 44.47 2dkw s ASP 87 CO 0.80 -0.38 1.63 1.55 0.21 0.00 0.00 175.17 178.98 2dkw h PRO 88 N 3.11 0.34 0.00 8.23 0.13 -1.96 -2.82 132.00 139.04 2dkw h PRO 88 Ca -0.36 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2dkw h PRO 88 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2dkw h PRO 88 CO 0.61 0.73 0.00 0.41 -0.23 0.00 0.00 178.00 179.52 2dkw n GLY 89 N -0.03 -0.78 0.31 1.56 0.00 -1.26 -2.69 105.19 102.30 2dkw n GLY 89 Ca -0.02 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.00 2dkw n GLY 89 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2dkw h ASP 90 N 0.00 0.47 -0.06 1.61 2.03 -1.84 -0.78 116.42 117.83 2dkw h ASP 90 Ca 0.00 -0.01 0.02 0.00 -0.73 0.00 0.00 57.03 56.31 2dkw h ASP 90 Cb 0.15 -0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 38.53 2dkw h ASP 90 CO 0.00 0.34 0.10 0.11 -1.03 0.00 0.00 179.24 178.75 2dkw h LYS 91 N 0.55 0.00 0.15 4.15 1.79 -1.74 -1.91 116.57 119.56 2dkw h LYS 91 Ca 0.15 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.30 2dkw h LYS 91 Cb -0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2dkw h LYS 91 CO -0.03 0.00 -1.62 0.82 -1.08 0.00 0.00 179.45 177.54 2dkw h ILE 92 N 0.00 0.96 -0.97 1.86 5.03 -1.38 -3.35 117.51 119.66 2dkw h ILE 92 Ca 0.03 -2.46 0.30 0.00 -0.12 0.00 0.00 64.86 62.61 2dkw h ILE 92 Cb 0.23 2.73 -0.15 0.00 -3.03 0.00 0.00 36.82 36.61 2dkw h ILE 92 CO -0.00 0.80 0.48 0.40 -0.68 0.00 0.00 178.15 179.15 2dkw h ILE 93 N -0.07 0.31 -1.14 -0.67 2.04 -1.16 0.37 117.51 117.20 2dkw h ILE 93 Ca -0.33 -0.10 0.36 0.00 1.00 0.00 0.00 64.86 65.78 2dkw h ILE 93 Cb 1.96 -0.02 -0.13 0.00 -0.74 0.00 0.00 36.82 37.89 2dkw h ILE 93 CO 0.12 0.06 0.71 0.08 0.00 0.00 0.00 178.15 179.12 2dkw h ARG 94 N 0.31 0.22 0.00 2.37 0.11 -1.68 -0.52 114.38 115.18 2dkw h ARG 94 Ca 0.68 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.74 2dkw h ARG 94 Cb 1.50 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.53 2dkw h ARG 94 CO -0.62 0.15 -0.04 1.25 0.10 0.00 0.00 179.97 180.81 2dkw h HIS 95 N 0.23 0.00 -1.06 4.08 2.76 -0.49 -3.33 115.15 117.34 2dkw h HIS 95 Ca 0.74 0.00 0.39 0.00 -2.20 0.00 0.00 60.37 59.30 2dkw h HIS 95 Cb 2.03 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 30.85 2dkw h HIS 95 CO -0.01 0.80 0.65 0.54 -1.30 0.00 0.00 177.93 178.61 2dkw n ARG 96 N -4.64 -0.04 0.33 5.26 1.74 -0.25 -0.10 116.66 118.96 2dkw n ARG 96 Ca -0.09 1.12 -0.15 0.00 -0.77 0.00 0.00 57.85 57.97 2dkw n ARG 96 Cb 0.39 -2.13 -0.07 0.00 -1.02 0.00 0.00 32.46 29.62 2dkw n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dkw h ALA 97 N 1.51 -1.18 -0.84 7.54 0.00 -1.54 -2.96 119.26 121.79 2dkw h ALA 97 Ca 0.75 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.62 2dkw h ALA 97 Cb 2.24 0.48 -0.15 0.00 0.00 0.00 0.00 17.79 20.37 2dkw h ALA 97 CO -0.50 -1.15 -0.27 0.00 0.00 0.00 0.00 179.25 177.33 2dkw h THR 99 N 0.00 0.54 -0.99 0.00 2.02 -1.46 0.57 112.91 113.59 2dkw h THR 99 Ca 0.35 -0.08 0.26 0.00 0.77 0.00 0.00 66.41 67.70 2dkw h THR 99 Cb 0.55 0.29 -0.13 0.00 -1.74 0.00 0.00 68.15 67.13 2dkw h THR 99 CO -0.85 0.04 0.56 0.25 0.37 0.00 0.00 175.52 175.90 2dkw h LEU 100 N 0.23 0.60 0.48 2.58 5.85 0.11 -0.96 115.31 124.19 2dkw h LEU 100 Ca 0.37 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 59.21 2dkw h LEU 100 Cb 0.60 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2dkw h LEU 100 CO -0.49 0.05 -0.23 0.50 -0.34 0.00 0.00 178.44 177.93 2dkw h LYS 101 N 0.51 -0.62 -0.72 1.25 3.64 -0.79 -1.77 116.57 118.07 2dkw h LYS 101 Ca 0.65 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 60.20 2dkw h LYS 101 Cb 1.28 0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 33.11 2dkw h LYS 101 CO -0.51 -0.41 -0.33 0.22 -2.27 0.00 0.00 179.45 176.15 2dkw h ASP 102 N -0.72 -1.16 0.11 4.20 3.58 -1.25 0.24 116.42 121.42 2dkw h ASP 102 Ca -0.07 0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2dkw h ASP 102 Cb 0.49 0.61 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 2dkw h ASP 102 CO 0.11 -0.29 -0.28 0.74 -2.88 0.00 0.00 179.24 176.63 2dkw h THR 103 N -0.10 0.00 0.08 2.25 2.02 -1.22 0.48 112.91 116.42 2dkw h THR 103 Ca 0.28 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.47 2dkw h THR 103 Cb 0.57 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 2dkw h THR 103 CO -0.78 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 174.81 2dkw h ALA 104 N -1.07 -0.81 -1.04 6.16 0.00 -0.63 0.26 119.26 122.13 2dkw h ALA 104 Ca -0.01 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.12 2dkw h ALA 104 Cb 0.43 0.70 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 2dkw h ALA 104 CO -0.13 -0.89 0.63 0.45 0.00 0.00 0.00 179.25 179.31 2dkw h HIS 105 N -0.43 0.87 -0.24 0.00 -0.00 -0.53 0.18 115.15 115.00 2dkw h HIS 105 Ca -0.01 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 2dkw h HIS 105 Cb 0.43 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 2dkw h HIS 105 CO -0.38 -0.02 -0.05 0.00 -0.00 0.00 0.00 177.93 177.49 2dkw h ALA 106 N 1.72 0.33 -0.47 2.45 0.00 0.99 -0.98 119.26 123.30 2dkw h ALA 106 Ca 0.67 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.35 2dkw h ALA 106 Cb 1.51 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2dkw h ALA 106 CO -0.46 0.12 0.27 0.82 0.00 0.00 0.00 179.25 180.00 2dkw h ILE 107 N 0.20 1.02 0.29 0.00 2.04 0.24 0.62 117.51 121.92 2dkw h ILE 107 Ca 0.06 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2dkw h ILE 107 Cb 0.51 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2dkw h ILE 107 CO 0.02 0.10 -0.14 0.40 0.00 0.00 0.00 178.15 178.53 2dkw h ILE 108 N 0.53 0.75 -0.58 -0.67 1.08 -1.17 0.21 117.51 117.65 2dkw h ILE 108 Ca 0.20 -0.52 0.10 0.00 -0.39 0.00 0.00 64.86 64.24 2dkw h ILE 108 Cb 0.05 1.02 -0.07 0.00 -3.07 0.00 0.00 36.82 34.75 2dkw h ILE 108 CO -0.11 0.11 0.18 0.00 -0.69 0.00 0.00 178.15 177.63 2dkw h ALA 109 N -0.07 0.72 0.55 1.87 0.00 -1.06 0.78 119.26 122.04 2dkw h ALA 109 Ca -0.04 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2dkw h ALA 109 Cb 0.47 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2dkw h ALA 109 CO 0.06 -0.25 -0.26 0.00 0.00 0.00 0.00 179.25 178.81 2dkw h ALA 110 N 1.43 -0.78 0.21 0.00 0.00 -0.86 -3.37 119.26 115.89 2dkw h ALA 110 Ca 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dkw h ALA 110 Cb 0.39 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2dkw h ALA 110 CO -0.33 -0.72 -0.12 0.93 0.00 0.00 0.00 179.25 179.00 2dkw h GLU 111 N -1.12 -0.30 -6.53 0.00 5.08 -0.46 -3.44 114.58 107.82 2dkw h GLU 111 Ca -0.07 0.02 -0.55 0.00 -1.00 0.00 0.00 59.36 57.76 2dkw h GLU 111 Cb 0.56 0.07 0.21 0.00 0.50 0.00 0.00 28.75 30.09 2dkw h GLU 111 CO 0.12 -0.20 -0.84 -0.11 -1.00 0.00 0.00 179.01 176.99 2dkw n LEU 112 N -2.94 -1.39 -4.24 1.33 7.94 0.27 -5.02 117.00 112.95 2dkw n LEU 112 Ca -0.04 0.40 -0.17 0.00 -1.11 0.00 0.00 56.01 55.09 2dkw n LEU 112 Cb 0.13 -1.09 -0.11 0.00 0.53 0.00 0.00 43.42 42.88 2dkw n LEU 112 CO 0.09 -4.08 -0.44 -1.81 -1.11 0.00 0.00 177.39 170.04 2dkw s ASP 113 N -1.56 1.97 0.00 1.96 1.01 -1.26 -4.77 116.67 114.02 2dkw s ASP 113 Ca 0.56 -0.84 0.13 0.00 0.71 0.00 0.00 52.55 53.10 2dkw s ASP 113 Cb -0.26 -0.06 0.75 0.00 1.01 0.00 0.00 42.92 44.36 2dkw s ASP 113 CO 0.68 -0.17 1.18 -0.81 0.21 0.00 0.00 175.17 176.26 2dkw n PRO 114 N 0.42 0.49 -0.10 8.23 -0.04 -1.26 -2.67 135.00 140.06 2dkw n PRO 114 Ca -0.15 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.14 2dkw n PRO 114 Cb 0.58 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.54 2dkw n PRO 114 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dkw n GLU 115 N -0.91 0.49 -0.04 0.54 0.28 -1.26 -4.43 120.64 115.33 2dkw n GLU 115 Ca 0.09 0.15 -0.12 0.00 -0.16 0.00 0.00 57.16 57.12 2dkw n GLU 115 Cb 0.04 -1.36 -0.07 0.00 1.43 0.00 0.00 31.44 31.48 2dkw n GLU 115 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2dkw h PHE 116 N -0.27 0.23 -0.82 -1.84 3.57 -1.94 -3.11 116.94 112.76 2dkw h PHE 116 Ca -0.49 -0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.17 2dkw h PHE 116 Cb 1.63 -0.06 -0.13 0.00 2.79 0.00 0.00 35.95 40.18 2dkw h PHE 116 CO -0.01 0.47 0.15 -0.97 -2.23 0.00 0.00 178.31 175.72 2dkw h ASN 117 N -0.08 -0.11 -0.31 0.41 -1.24 -1.77 0.87 115.58 113.35 2dkw h ASN 117 Ca 0.03 0.19 0.09 0.00 0.71 0.00 0.00 56.30 57.32 2dkw h ASN 117 Cb 0.39 0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 2dkw h ASN 117 CO 0.01 -0.14 0.25 0.11 -1.29 0.00 0.00 177.43 176.36 2dkw h LYS 118 N 0.19 0.00 0.00 6.67 1.57 -1.75 0.84 116.57 124.09 2dkw h LYS 118 Ca 0.48 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 59.07 2dkw h LYS 118 Cb 0.91 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 2dkw h LYS 118 CO -0.63 0.00 -0.95 -0.07 -0.57 0.00 0.00 179.45 177.23 2dkw h LEU 119 N 0.00 0.00 0.32 2.94 3.38 0.70 -3.13 115.31 119.52 2dkw h LEU 119 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2dkw h LEU 119 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2dkw h LEU 119 CO -0.00 0.88 -0.15 0.00 0.09 0.00 0.00 178.44 179.26 2dkw h GLU 121 N -1.10 0.00 0.38 0.00 4.11 -1.39 -2.25 114.58 114.32 2dkw h GLU 121 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2dkw h GLU 121 Cb 0.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2dkw h GLU 121 CO 0.07 0.00 -0.47 1.49 0.07 0.00 0.00 179.01 180.17 2dkw h GLU 122 N 0.00 -0.86 -0.23 1.06 4.57 -1.57 -1.36 114.58 116.19 2dkw h GLU 122 Ca 0.21 0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.52 2dkw h GLU 122 Cb 1.03 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2dkw h GLU 122 CO -0.00 -0.57 0.18 0.82 -1.18 0.00 0.00 179.01 178.26 2dkw h ILE 123 N -0.89 0.77 -0.18 2.32 2.04 -1.47 0.47 117.51 120.58 2dkw h ILE 123 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2dkw h ILE 123 Cb 0.80 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2dkw h ILE 123 CO -0.11 0.00 0.10 0.50 0.00 0.00 0.00 178.15 178.64 2dkw h LYS 124 N 0.00 0.24 0.00 2.37 3.64 -1.20 -3.21 116.57 118.41 2dkw h LYS 124 Ca 0.11 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 2dkw h LYS 124 Cb 0.48 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2dkw h LYS 124 CO -0.00 0.23 -0.56 1.05 -2.27 0.00 0.00 179.45 177.91 2dkw h GLU 125 N 0.19 0.00 -4.07 1.90 4.11 -0.78 -3.45 114.58 112.47 2dkw h GLU 125 Ca 0.06 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.90 2dkw h GLU 125 Cb 0.06 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.92 2dkw h GLU 125 CO -0.01 0.57 -0.77 0.45 0.07 0.00 0.00 179.01 179.32 2dkw s SER 126 N -6.19 3.80 -0.28 3.06 0.15 0.16 -5.10 113.70 109.30 2dkw s SER 126 Ca -0.18 -1.29 -0.19 0.00 0.70 0.00 0.00 55.95 54.99 2dkw s SER 126 Cb 0.02 -1.05 0.10 0.00 -1.71 0.00 0.00 66.02 63.38 2dkw s SER 126 CO 0.41 -0.30 0.83 -0.83 1.20 0.00 0.00 173.24 174.55 2dkw s GLY 127 N 1.48 -0.37 0.00 9.45 0.00 -1.21 -3.63 107.32 113.04 2dkw s GLY 127 Ca -0.00 2.59 0.16 0.00 0.00 0.00 0.00 44.72 47.46 2dkw s GLY 127 CO -0.10 2.25 1.34 -1.55 0.00 0.00 0.00 173.10 175.03 2dkw n PRO 128 N 3.52 0.49 -1.08 2.90 -0.04 -1.26 -4.84 135.00 134.69 2dkw n PRO 128 Ca -0.17 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.90 2dkw n PRO 128 Cb 0.57 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 2dkw n PRO 128 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dkw n SER 129 N -1.00 0.39 -4.86 3.54 3.41 -1.26 -4.86 113.62 108.97 2dkw n SER 129 Ca 0.12 0.31 -0.36 0.00 -0.26 0.00 0.00 58.87 58.68 2dkw n SER 129 Cb 0.05 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.24 2dkw n SER 129 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dkw s SER 130 N 5.96 6.64 0.00 4.04 0.01 -1.26 -5.17 113.70 123.93 2dkw s SER 130 Ca 1.00 0.77 0.22 0.00 1.31 0.00 0.00 55.95 59.26 2dkw s SER 130 Cb -1.06 -2.17 0.17 0.00 0.21 0.00 0.00 66.02 63.17 2dkw s SER 130 CO 0.44 0.27 1.19 0.61 0.41 0.00 0.00 173.24 176.16