#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkw n SER 2 N 0.00 -0.36 -4.76 1.61 2.88 -1.26 -4.48 113.62 107.26 2dkw n SER 2 Ca 0.00 1.42 -0.25 0.00 -1.33 0.00 0.00 58.87 58.72 2dkw n SER 2 Cb 0.00 -0.40 -0.07 0.00 -0.75 0.00 0.00 64.21 62.99 2dkw n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dkw s SER 3 N -5.23 4.48 0.00 -3.46 0.15 -1.26 -5.15 113.70 103.22 2dkw s SER 3 Ca -0.12 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.46 2dkw s SER 3 Cb 0.21 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2dkw s SER 3 CO 0.63 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2dkw n GLY 4 N -1.28 5.36 2.05 9.45 0.00 -1.26 -5.02 105.19 114.48 2dkw n GLY 4 Ca -0.01 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.16 2dkw n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dkw n SER 5 N 0.00 6.11 0.09 1.61 3.41 -1.26 -4.34 113.62 119.24 2dkw n SER 5 Ca 0.00 -3.35 0.13 0.00 -0.26 0.00 0.00 58.87 55.39 2dkw n SER 5 Cb 0.00 -0.95 0.36 0.00 -0.26 0.00 0.00 64.21 63.37 2dkw n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dkw n SER 6 N -0.38 0.78 -0.03 4.04 3.41 -1.26 -3.66 113.62 116.52 2dkw n SER 6 Ca 0.45 0.48 -0.15 0.00 -0.26 0.00 0.00 58.87 59.39 2dkw n SER 6 Cb 0.82 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 2dkw n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2dkw h GLY 7 N 4.53 0.30 1.05 5.00 0.00 -2.02 -3.21 103.07 108.73 2dkw h GLY 7 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 2dkw h GLY 7 CO 0.00 0.39 0.30 3.45 0.00 0.00 0.00 176.54 180.68 2dkw h ASN 8 N -0.27 1.10 -0.60 0.19 -1.07 -1.92 -1.48 115.58 111.52 2dkw h ASN 8 Ca -0.02 -0.18 0.11 0.00 0.07 0.00 0.00 56.30 56.27 2dkw h ASN 8 Cb 0.95 -0.29 -0.08 0.00 -2.07 0.00 0.00 38.32 36.84 2dkw h ASN 8 CO 0.06 0.98 0.15 0.74 0.07 0.00 0.00 177.43 179.43 2dkw h THR 9 N 1.15 0.67 -0.14 6.14 2.02 -1.63 -2.16 112.91 118.96 2dkw h THR 9 Ca 0.26 -0.10 -0.14 0.00 0.77 0.00 0.00 66.41 67.20 2dkw h THR 9 Cb 0.24 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2dkw h THR 9 CO -0.02 0.05 -0.47 -0.07 0.37 0.00 0.00 175.52 175.39 2dkw h LEU 10 N 0.29 0.66 -0.75 2.58 4.07 -1.51 -3.31 115.31 117.35 2dkw h LEU 10 Ca 0.31 -0.60 0.09 0.00 0.08 0.00 0.00 57.88 57.76 2dkw h LEU 10 Cb 0.45 -0.19 -0.10 0.00 1.08 0.00 0.00 40.66 41.89 2dkw h LEU 10 CO -0.38 1.15 -0.38 -1.14 -1.08 0.00 0.00 178.44 176.61 2dkw n ARG 11 N -4.23 -0.27 -0.12 1.13 0.63 -0.58 0.11 116.66 113.33 2dkw n ARG 11 Ca -0.07 1.14 -0.04 0.00 -0.92 0.00 0.00 57.85 57.96 2dkw n ARG 11 Cb 0.58 -1.68 0.03 0.00 0.45 0.00 0.00 32.46 31.84 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 0.12 0.20 -0.14 5.08 -1.62 -2.35 114.58 115.87 2dkw h GLU 12 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2dkw h GLU 12 Cb 0.37 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2dkw h GLU 12 CO -0.72 0.08 -0.19 1.25 -1.00 0.00 0.00 179.01 178.43 2dkw h LEU 13 N 0.13 -0.52 -0.59 1.33 5.85 0.64 0.29 115.31 122.44 2dkw h LEU 13 Ca 0.20 0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.05 2dkw h LEU 13 Cb 0.28 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 2dkw h LEU 13 CO -0.32 -0.29 -0.48 -0.09 -0.34 0.00 0.00 178.44 176.92 2dkw h ARG 14 N -0.42 -0.23 -0.33 1.25 2.43 -0.19 0.39 114.38 117.28 2dkw h ARG 14 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2dkw h ARG 14 Cb 0.40 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2dkw h ARG 14 CO -0.05 -0.16 0.21 -0.07 -1.51 0.00 0.00 179.97 178.40 2dkw h LEU 15 N -0.24 0.38 0.09 3.80 3.38 -1.29 -2.61 115.31 118.83 2dkw h LEU 15 Ca 0.15 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2dkw h LEU 15 Cb 0.56 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2dkw h LEU 15 CO -0.70 0.29 -0.09 0.15 0.09 0.00 0.00 178.44 178.18 2dkw h PHE 16 N 0.44 -0.25 -0.69 1.13 3.57 0.61 -1.89 116.94 119.86 2dkw h PHE 16 Ca 0.12 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.68 2dkw h PHE 16 Cb -0.03 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.72 2dkw h PHE 16 CO -0.05 -0.12 -0.41 1.28 -2.23 0.00 0.00 178.31 176.78 2dkw n LEU 17 N -2.83 -0.73 -0.31 0.59 4.77 0.12 0.56 117.00 119.17 2dkw n LEU 17 Ca -0.02 1.48 0.15 0.00 -0.03 0.00 0.00 56.01 57.59 2dkw n LEU 17 Cb 0.08 -0.29 0.32 0.00 -2.33 0.00 0.00 43.42 41.20 2dkw n LEU 17 CO 0.05 -1.13 0.92 -0.09 -1.33 0.00 0.00 177.39 175.81 2dkw h ARG 18 N 0.00 0.14 -0.69 3.23 2.43 -1.43 0.50 114.38 118.57 2dkw h ARG 18 Ca 0.11 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 2dkw h ARG 18 Cb 0.28 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 2dkw h ARG 18 CO -0.65 0.10 0.40 0.22 -1.51 0.00 0.00 179.97 178.53 2dkw h ASP 19 N 0.15 0.63 0.31 -3.80 3.58 0.97 0.15 116.42 118.41 2dkw h ASP 19 Ca 0.59 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 58.04 2dkw h ASP 19 Cb 1.23 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 2dkw h ASP 19 CO -0.72 0.42 -0.20 0.58 -2.88 0.00 0.00 179.24 176.44 2dkw h VAL 20 N 0.77 0.00 -0.16 2.25 2.07 0.88 -2.04 116.25 120.01 2dkw h VAL 20 Ca 0.29 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.86 2dkw h VAL 20 Cb 0.12 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 2dkw h VAL 20 CO -0.15 0.00 -0.15 0.74 0.02 0.00 0.00 177.57 178.03 2dkw h THR 21 N -0.49 0.58 -0.78 2.57 2.02 -1.40 -2.77 112.91 112.65 2dkw h THR 21 Ca -0.04 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.22 2dkw h THR 21 Cb 0.39 0.58 -0.11 0.00 -1.74 0.00 0.00 68.15 67.27 2dkw h THR 21 CO 0.04 0.00 -0.54 0.50 0.37 0.00 0.00 175.52 175.89 2dkw h LYS 22 N -0.17 -0.14 -0.94 6.66 3.64 -0.70 0.43 116.57 125.35 2dkw h LYS 22 Ca 0.11 0.01 0.39 0.00 -1.27 0.00 0.00 60.65 59.88 2dkw h LYS 22 Cb 0.33 0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.01 2dkw h LYS 22 CO -0.27 -0.09 0.48 -2.13 -2.27 0.00 0.00 179.45 175.17 2dkw n ARG 23 N -5.33 -0.06 0.21 1.90 3.00 -0.77 -0.79 116.66 114.83 2dkw n ARG 23 Ca 0.01 1.30 -0.09 0.00 -0.00 0.00 0.00 57.85 59.08 2dkw n ARG 23 Cb 0.31 -2.33 -0.04 0.00 0.00 0.00 0.00 32.46 30.40 2dkw n ARG 23 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2dkw h LEU 24 N 0.00 -0.48 -0.57 6.15 3.38 -0.18 -3.14 115.31 120.47 2dkw h LEU 24 Ca 0.79 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.83 2dkw h LEU 24 Cb 2.06 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.85 2dkw h LEU 24 CO -0.73 -0.26 -0.50 0.00 0.09 0.00 0.00 178.44 177.04 2dkw h ALA 25 N -1.57 -0.63 -0.79 1.53 0.00 -0.62 -1.58 119.26 115.61 2dkw h ALA 25 Ca -0.06 0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2dkw h ALA 25 Cb 0.43 1.18 -0.10 0.00 0.00 0.00 0.00 17.79 19.31 2dkw h ALA 25 CO 0.09 -0.92 -0.44 0.25 0.00 0.00 0.00 179.25 178.23 2dkw n THR 26 N -5.03 -0.52 -1.00 0.00 -2.24 -0.49 -4.24 114.28 100.77 2dkw n THR 26 Ca -0.01 1.89 -0.35 0.00 -2.27 0.00 0.00 64.05 63.31 2dkw n THR 26 Cb 0.27 -2.36 0.08 0.00 -2.10 0.00 0.00 70.33 66.22 2dkw n THR 26 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2dkw n ASP 27 N -5.01 -2.57 -0.04 3.42 2.03 -0.59 -4.89 116.55 108.89 2dkw n ASP 27 Ca 0.03 0.40 0.12 0.00 0.52 0.00 0.00 54.79 55.86 2dkw n ASP 27 Cb 0.22 -1.11 0.29 0.00 -0.72 0.00 0.00 41.12 39.80 2dkw n ASP 27 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2dkw n LYS 28 N -0.50 0.13 0.06 -0.67 2.85 -1.26 -3.57 118.16 115.21 2dkw n LYS 28 Ca 0.06 -0.07 -0.22 0.00 -1.05 0.00 0.00 58.31 57.02 2dkw n LYS 28 Cb 0.52 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.26 2dkw n LYS 28 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dkw h ARG 29 N 0.18 0.36 -0.92 -1.58 2.47 -1.89 -3.34 114.38 109.65 2dkw h ARG 29 Ca 0.00 -0.61 -0.52 0.00 -1.26 0.00 0.00 59.98 57.59 2dkw h ARG 29 Cb 0.50 0.23 -0.29 0.00 -1.65 0.00 0.00 29.97 28.76 2dkw h ARG 29 CO 0.00 1.29 0.59 1.19 0.56 0.00 0.00 179.97 183.60 2dkw n PHE 30 N -3.81 2.88 -0.06 3.04 3.72 -1.26 -4.42 117.46 117.55 2dkw n PHE 30 Ca -0.22 -2.11 -0.22 0.00 -0.05 0.00 0.00 57.45 54.86 2dkw n PHE 30 Cb 0.98 -1.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.40 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 -1.08 2.03 -0.12 4.37 5.15 -1.23 -3.95 115.26 120.42 2dkw n ASN 31 Ca 0.57 0.20 0.27 0.00 -0.60 0.00 0.00 54.58 55.03 2dkw n ASN 31 Cb 1.35 -0.80 0.67 0.00 -0.53 0.00 0.00 39.78 40.48 2dkw n ASN 31 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 2dkw h ILE 32 N -0.28 0.28 0.07 -1.44 3.07 -1.81 0.39 117.51 117.79 2dkw h ILE 32 Ca -0.46 0.00 -0.24 0.00 1.55 0.00 0.00 64.86 65.71 2dkw h ILE 32 Cb 1.81 0.40 0.02 0.00 -0.27 0.00 0.00 36.82 38.79 2dkw h ILE 32 CO -0.06 0.00 -0.97 -0.26 -1.05 0.00 0.00 178.15 175.81 2dkw h PHE 33 N 0.00 0.83 -0.80 0.16 0.04 -1.89 -3.30 116.94 111.98 2dkw h PHE 33 Ca 0.39 -0.51 0.29 0.00 2.80 0.00 0.00 57.97 60.95 2dkw h PHE 33 Cb 1.94 -0.07 -0.15 0.00 2.20 0.00 0.00 35.95 39.87 2dkw h PHE 33 CO 0.00 1.35 0.28 0.45 -0.60 0.00 0.00 178.31 179.79 2dkw n SER 34 N -3.98 0.14 -4.93 2.17 2.88 0.14 -4.28 113.62 105.77 2dkw n SER 34 Ca -0.12 1.34 -0.26 0.00 -1.33 0.00 0.00 58.87 58.50 2dkw n SER 34 Cb 0.86 -0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 63.70 2dkw n SER 34 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dkw s LYS 35 N -5.41 3.54 -0.81 -1.46 3.01 -1.24 -3.90 119.74 113.47 2dkw s LYS 35 Ca -0.08 -0.20 -0.25 0.00 -1.01 0.00 0.00 55.97 54.42 2dkw s LYS 35 Cb 0.26 -2.67 -0.04 0.00 -1.01 0.00 0.00 37.83 34.37 2dkw s LYS 35 CO 0.62 0.18 1.92 -1.25 0.51 0.00 0.00 175.35 177.34 2dkw s PRO 36 N -3.97 2.58 -0.12 -1.68 0.04 -1.26 -4.95 135.00 125.64 2dkw s PRO 36 Ca 0.41 -0.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 2dkw s PRO 36 Cb -0.10 -4.86 -0.02 0.00 0.04 0.00 0.00 34.50 29.56 2dkw s PRO 36 CO 0.34 -3.18 1.29 0.14 0.04 0.00 0.00 177.00 175.62 2dkw s VAL 37 N 9.78 4.18 0.05 -0.36 -7.23 -1.26 -4.97 120.40 120.59 2dkw s VAL 37 Ca 0.69 1.46 -0.28 0.00 -1.81 0.00 0.00 61.98 62.04 2dkw s VAL 37 Cb -0.08 -3.94 0.10 0.00 0.56 0.00 0.00 36.38 33.01 2dkw s VAL 37 CO 0.06 -0.09 1.17 -0.94 -0.31 0.00 0.00 175.10 174.99 2dkw s SER 38 N 1.95 -0.08 -0.13 4.85 1.04 -1.26 -4.81 113.70 115.25 2dkw s SER 38 Ca 0.57 -0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.59 2dkw s SER 38 Cb -0.24 0.29 -0.25 0.00 0.10 0.00 0.00 66.02 65.91 2dkw s SER 38 CO 0.18 -0.54 0.45 0.44 0.98 0.00 0.00 173.24 174.75 2dkw h ASP 39 N 2.00 0.32 -1.02 7.02 3.32 -1.94 -3.48 116.42 122.64 2dkw h ASP 39 Ca -0.28 -0.82 -0.57 0.00 0.02 0.00 0.00 57.03 55.39 2dkw h ASP 39 Cb 1.21 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 2dkw h ASP 39 CO 0.28 1.65 -0.39 -0.47 -1.72 0.00 0.00 179.24 178.60 2dkw s TYR 40 N -2.47 2.12 0.19 4.55 5.04 -1.26 -5.14 117.35 120.38 2dkw s TYR 40 Ca -0.22 -0.71 0.04 0.00 -2.44 0.00 0.00 57.07 53.73 2dkw s TYR 40 Cb 0.05 -1.95 -0.03 0.00 0.35 0.00 0.00 41.96 40.37 2dkw s TYR 40 CO 0.73 -0.17 0.30 -0.48 -1.34 0.00 0.00 175.55 174.59 2dkw s LEU 41 N -4.12 4.27 -0.41 6.97 2.34 -1.26 -4.40 118.68 122.08 2dkw s LEU 41 Ca 0.37 0.09 -0.05 0.00 0.06 0.00 0.00 54.13 54.59 2dkw s LEU 41 Cb -0.00 -2.83 0.05 0.00 -0.56 0.00 0.00 46.19 42.85 2dkw s LEU 41 CO 0.21 0.01 0.13 -1.84 -1.06 0.00 0.00 176.35 173.80 2dkw n GLU 42 N -0.87 -2.34 -0.24 1.48 0.28 -1.26 -4.69 120.64 112.99 2dkw n GLU 42 Ca -0.08 0.03 0.08 0.00 -0.16 0.00 0.00 57.16 57.03 2dkw n GLU 42 Cb 0.55 -4.17 0.21 0.00 1.43 0.00 0.00 31.44 29.46 2dkw n GLU 42 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2dkw n VAL 43 N -2.64 0.99 -3.67 3.84 3.14 -1.26 -4.92 118.33 113.80 2dkw n VAL 43 Ca 0.03 -0.99 -0.38 0.00 -2.96 0.00 0.00 64.34 60.04 2dkw n VAL 43 Cb 0.45 0.51 -0.12 0.00 -1.06 0.00 0.00 33.84 33.62 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 -1.00 4.74 0.05 1.55 1.09 -1.26 -5.00 121.20 121.36 2dkw s ILE 44 Ca 0.32 -0.10 -0.30 0.00 -1.10 0.00 0.00 60.65 59.47 2dkw s ILE 44 Cb 0.17 -3.28 -0.18 0.00 -1.06 0.00 0.00 42.46 38.11 2dkw s ILE 44 CO 0.22 0.25 1.44 0.11 -0.10 0.00 0.00 174.94 176.86 2dkw h LYS 45 N 8.31 -0.79 -3.18 2.79 1.79 -2.02 -3.35 116.57 120.12 2dkw h LYS 45 Ca -0.36 0.05 -0.67 0.00 -2.18 0.00 0.00 60.65 57.49 2dkw h LYS 45 Cb 1.17 0.18 -0.38 0.00 -1.58 0.00 0.00 32.23 31.62 2dkw h LYS 45 CO 0.58 -0.48 -0.27 0.39 -1.08 0.00 0.00 179.45 178.58 2dkw n GLU 46 N -5.39 2.37 -2.26 3.15 4.71 -1.26 -5.08 120.64 116.88 2dkw n GLU 46 Ca -0.12 -4.50 -0.40 0.00 -0.01 0.00 0.00 57.16 52.13 2dkw n GLU 46 Cb 0.35 -2.36 -0.02 0.00 -1.01 0.00 0.00 31.44 28.39 2dkw n GLU 46 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2dkw s PRO 47 N -1.48 4.28 -0.15 3.49 0.04 -1.26 -4.97 135.00 134.94 2dkw s PRO 47 Ca 0.27 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 2dkw s PRO 47 Cb -0.05 -2.93 0.12 0.00 0.04 0.00 0.00 34.50 31.69 2dkw s PRO 47 CO -0.14 -0.17 0.98 1.41 0.04 0.00 0.00 177.00 179.12 2dkw s MET 48 N -1.94 0.62 0.00 4.56 1.75 -1.26 -5.15 119.30 117.89 2dkw s MET 48 Ca 0.52 0.13 -0.29 0.00 -1.25 0.00 0.00 55.69 54.79 2dkw s MET 48 Cb -0.35 0.29 0.11 0.00 2.84 0.00 0.00 34.83 37.73 2dkw s MET 48 CO 0.45 -0.20 1.26 0.16 -0.65 0.00 0.00 175.02 176.04 2dkw s ASP 49 N -1.19 -0.04 0.03 1.11 1.47 -1.26 -4.83 116.67 111.96 2dkw s ASP 49 Ca -0.02 -0.20 -0.09 0.00 1.18 0.00 0.00 52.55 53.43 2dkw s ASP 49 Cb -0.00 0.19 -0.03 0.00 -0.34 0.00 0.00 42.92 42.73 2dkw s ASP 49 CO 0.01 -0.36 1.14 -0.07 0.68 0.00 0.00 175.17 176.57 2dkw h LEU 50 N 2.00 -0.45 -0.61 2.11 3.38 -1.78 0.13 115.31 120.07 2dkw h LEU 50 Ca -0.28 0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.80 2dkw h LEU 50 Cb 1.20 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 42.06 2dkw h LEU 50 CO 0.29 -0.12 -0.36 -0.24 0.09 0.00 0.00 178.44 178.10 2dkw n SER 51 N -3.32 -0.65 -0.28 -0.43 2.88 -1.25 0.21 113.62 110.78 2dkw n SER 51 Ca -0.01 1.18 0.05 0.00 -1.33 0.00 0.00 58.87 58.75 2dkw n SER 51 Cb 0.10 -0.18 0.27 0.00 -0.75 0.00 0.00 64.21 63.64 2dkw n SER 51 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2dkw h THR 52 N 0.00 1.05 -0.04 2.46 2.02 -1.77 -2.39 112.91 114.24 2dkw h THR 52 Ca 0.10 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 2dkw h THR 52 Cb 0.25 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2dkw h THR 52 CO -0.58 0.18 0.02 0.58 0.37 0.00 0.00 175.52 176.09 2dkw h VAL 53 N 0.97 1.11 -0.96 3.16 2.07 0.53 -2.72 116.25 120.40 2dkw h VAL 53 Ca 0.38 -0.31 0.17 0.00 0.82 0.00 0.00 66.70 67.76 2dkw h VAL 53 Cb 0.22 1.24 -0.09 0.00 -1.52 0.00 0.00 31.29 31.15 2dkw h VAL 53 CO -0.14 0.09 0.61 0.40 0.02 0.00 0.00 177.57 178.55 2dkw h ILE 54 N -0.06 0.76 0.22 4.57 5.03 0.03 -2.85 117.51 125.22 2dkw h ILE 54 Ca 0.01 -0.24 -0.01 0.00 -0.12 0.00 0.00 64.86 64.50 2dkw h ILE 54 Cb 0.12 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 33.91 2dkw h ILE 54 CO -0.00 0.13 -0.11 0.74 -0.68 0.00 0.00 178.15 178.23 2dkw h THR 55 N 0.71 0.00 -0.71 -0.27 2.02 -1.19 -2.96 112.91 110.50 2dkw h THR 55 Ca 0.52 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 67.78 2dkw h THR 55 Cb 0.87 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.18 2dkw h THR 55 CO -0.28 0.00 -0.33 0.29 0.37 0.00 0.00 175.52 175.57 2dkw n LYS 56 N -2.83 -0.22 -0.19 6.66 5.02 -1.09 0.57 118.16 126.09 2dkw n LYS 56 Ca -0.04 1.08 -0.08 0.00 -2.02 0.00 0.00 58.31 57.26 2dkw n LYS 56 Cb 0.12 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.50 2dkw n LYS 56 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2dkw h ILE 57 N 0.00 0.12 -0.87 -0.18 2.04 -1.52 0.16 117.51 117.27 2dkw h ILE 57 Ca 0.20 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.25 2dkw h ILE 57 Cb 0.38 0.12 -0.11 0.00 -0.74 0.00 0.00 36.82 36.47 2dkw h ILE 57 CO -0.69 0.00 0.41 -0.78 0.00 0.00 0.00 178.15 177.09 2dkw h ASP 58 N -0.23 0.42 -0.15 1.72 1.82 0.30 0.11 116.42 120.41 2dkw h ASP 58 Ca 0.19 0.12 -0.10 0.00 -0.39 0.00 0.00 57.03 56.85 2dkw h ASP 58 Cb 0.56 0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.60 2dkw h ASP 58 CO -0.66 0.10 0.13 0.29 -1.61 0.00 0.00 179.24 177.49 2dkw n LYS 59 N -4.96 1.25 -3.83 0.28 4.01 0.48 -4.80 118.16 110.59 2dkw n LYS 59 Ca 0.20 -0.49 -0.24 0.00 -0.51 0.00 0.00 58.31 57.26 2dkw n LYS 59 Cb 0.55 -1.19 -0.07 0.00 -0.51 0.00 0.00 35.03 33.81 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 0.99 -0.92 -0.07 2.13 8.25 0.37 -4.81 115.22 121.16 2dkw n HIS 60 Ca 0.10 0.46 -0.13 0.00 -0.26 0.00 0.00 57.72 57.88 2dkw n HIS 60 Cb 0.55 -1.97 -0.12 0.00 1.12 0.00 0.00 29.99 29.57 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 -1.00 0.00 -4.07 0.41 -0.73 -1.39 -3.46 115.58 105.34 2dkw h ASN 61 Ca -0.48 -0.88 -0.47 0.00 1.87 0.00 0.00 56.30 56.34 2dkw h ASN 61 Cb 1.03 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.65 2dkw h ASN 61 CO 0.54 0.98 0.39 -0.31 -0.37 0.00 0.00 177.43 178.66 2dkw s TYR 62 N -2.17 2.98 0.00 0.67 2.02 -1.26 -4.97 117.35 114.62 2dkw s TYR 62 Ca -0.18 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 2dkw s TYR 62 Cb -0.02 -3.08 0.00 0.00 -0.40 0.00 0.00 41.96 38.45 2dkw s TYR 62 CO 0.62 -0.88 0.00 1.47 -1.57 0.00 0.00 175.55 175.19 2dkw n LEU 63 N -0.97 0.39 -4.24 -1.29 -0.00 -1.26 -4.88 117.00 104.75 2dkw n LEU 63 Ca 0.09 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.91 2dkw n LEU 63 Cb 0.52 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.83 2dkw n LEU 63 CO 0.40 0.07 -0.47 0.42 -0.00 0.00 0.00 177.39 177.80 2dkw s THR 64 N -1.70 1.41 0.32 1.47 -4.23 -1.26 -4.70 115.64 106.95 2dkw s THR 64 Ca 0.00 -1.61 0.21 0.00 -1.18 0.00 0.00 61.69 59.11 2dkw s THR 64 Cb 0.00 -1.46 0.20 0.00 1.34 0.00 0.00 72.50 72.57 2dkw s THR 64 CO 0.00 -0.29 1.90 0.00 -0.54 0.00 0.00 174.62 175.70 2dkw h ALA 65 N 3.78 1.22 0.58 3.99 0.00 -1.96 -3.15 119.26 123.73 2dkw h ALA 65 Ca -0.42 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 2dkw h ALA 65 Cb 1.19 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2dkw h ALA 65 CO 0.46 0.32 -0.28 -0.22 0.00 0.00 0.00 179.25 179.53 2dkw h LYS 66 N 0.00 -0.75 -1.07 0.00 3.64 -1.95 -2.87 116.57 113.57 2dkw h LYS 66 Ca -0.00 0.05 0.29 0.00 -1.27 0.00 0.00 60.65 59.72 2dkw h LYS 66 Cb 0.59 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.51 2dkw h LYS 66 CO 0.03 -0.45 0.72 -0.44 -2.27 0.00 0.00 179.45 177.05 2dkw h ASP 67 N -1.09 0.26 0.39 4.20 5.19 -1.98 -0.65 116.42 122.74 2dkw h ASP 67 Ca -0.08 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 2dkw h ASP 67 Cb 0.65 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2dkw h ASP 67 CO 0.13 0.05 -0.19 0.15 -3.12 0.00 0.00 179.24 176.26 2dkw h PHE 68 N 0.23 -0.49 -1.02 4.55 3.04 -1.49 -2.83 116.94 118.94 2dkw h PHE 68 Ca 0.57 -0.01 0.25 0.00 3.98 0.00 0.00 57.97 62.75 2dkw h PHE 68 Cb 1.75 0.16 -0.12 0.00 2.56 0.00 0.00 35.95 40.31 2dkw h PHE 68 CO -0.00 -0.23 0.62 -0.07 -2.02 0.00 0.00 178.31 176.60 2dkw h LEU 69 N -0.66 0.62 -1.18 0.59 3.38 -0.90 0.36 115.31 117.53 2dkw h LEU 69 Ca -0.05 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2dkw h LEU 69 Cb 0.48 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2dkw h LEU 69 CO 0.09 0.11 0.56 0.11 0.09 0.00 0.00 178.44 179.40 2dkw h LYS 70 N 0.54 1.04 -0.24 1.13 1.57 -1.27 -2.39 116.57 116.96 2dkw h LYS 70 Ca 0.63 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.32 2dkw h LYS 70 Cb 1.29 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2dkw h LYS 70 CO -0.43 0.69 0.03 0.22 -0.57 0.00 0.00 179.45 179.39 2dkw h ASP 71 N 1.07 0.40 -0.26 0.86 1.82 -0.17 -2.71 116.42 117.43 2dkw h ASP 71 Ca 0.34 -0.28 0.08 0.00 -0.39 0.00 0.00 57.03 56.78 2dkw h ASP 71 Cb 0.01 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 2dkw h ASP 71 CO -0.10 0.57 0.19 0.40 -1.61 0.00 0.00 179.24 178.70 2dkw h ILE 72 N 0.21 0.86 0.00 2.25 1.08 -1.03 0.47 117.51 121.35 2dkw h ILE 72 Ca 0.07 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.44 2dkw h ILE 72 Cb 0.35 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 2dkw h ILE 72 CO 0.01 0.00 -0.47 -0.78 -0.69 0.00 0.00 178.15 176.22 2dkw h ASP 73 N 0.00 0.00 0.99 1.72 1.82 -1.12 -2.60 116.42 117.23 2dkw h ASP 73 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 2dkw h ASP 73 Cb 0.50 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.51 2dkw h ASP 73 CO -0.00 0.47 0.00 0.25 -1.61 0.00 0.00 179.24 178.34 2dkw h LEU 74 N 0.00 0.00 0.00 2.28 5.85 -0.78 -2.98 115.31 119.69 2dkw h LEU 74 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2dkw h LEU 74 Cb 0.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2dkw h LEU 74 CO 0.06 0.00 -0.00 0.40 -0.34 0.00 0.00 178.44 178.56 2dkw h ILE 75 N 0.00 1.05 -0.01 4.05 2.04 -1.40 -1.68 117.51 121.56 2dkw h ILE 75 Ca 0.00 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.08 2dkw h ILE 75 Cb 0.50 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2dkw h ILE 75 CO 0.00 0.35 0.01 0.00 0.00 0.00 0.00 178.15 178.51 2dkw h SER 77 N 0.00 0.00 -0.97 0.00 0.02 -1.62 -3.12 113.55 107.86 2dkw h SER 77 Ca 0.00 -0.35 0.29 0.00 -0.84 0.00 0.00 61.79 60.89 2dkw h SER 77 Cb 0.02 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.39 2dkw h SER 77 CO -0.00 0.75 0.14 0.78 -1.14 0.00 0.00 176.83 177.36 2dkw h ASN 78 N -1.00 -0.27 0.39 3.07 4.21 -1.15 -0.31 115.58 120.52 2dkw h ASN 78 Ca -0.02 0.26 -0.02 0.00 1.21 0.00 0.00 56.30 57.73 2dkw h ASN 78 Cb 0.45 0.41 0.00 0.00 -1.12 0.00 0.00 38.32 38.07 2dkw h ASN 78 CO -0.01 -0.33 -0.19 0.00 -1.29 0.00 0.00 177.43 175.61 2dkw h ALA 79 N 1.95 -0.90 -1.30 -0.83 0.00 -1.63 -2.66 119.26 113.89 2dkw h ALA 79 Ca 0.63 -0.12 0.38 0.00 0.00 0.00 0.00 54.91 55.80 2dkw h ALA 79 Cb 1.36 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 2dkw h ALA 79 CO -0.85 -0.87 1.15 -0.07 0.00 0.00 0.00 179.25 178.62 2dkw h LEU 80 N -0.65 0.00 0.19 0.00 3.38 -1.21 0.35 115.31 117.38 2dkw h LEU 80 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2dkw h LEU 80 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dkw h LEU 80 CO 0.09 0.00 -0.09 -0.08 0.09 0.00 0.00 178.44 178.45 2dkw h GLU 81 N 0.00 -0.25 -1.49 1.13 4.81 -0.90 -3.30 114.58 114.58 2dkw h GLU 81 Ca 0.62 0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 59.19 2dkw h GLU 81 Cb 2.91 0.06 -0.26 0.00 0.63 0.00 0.00 28.75 32.09 2dkw h GLU 81 CO -0.01 0.15 0.88 0.66 -0.73 0.00 0.00 179.01 179.96 2dkw n TYR 82 N -4.96 2.89 -3.80 0.92 4.01 0.11 -4.77 117.16 111.57 2dkw n TYR 82 Ca -0.08 -2.61 -0.28 0.00 -0.16 0.00 0.00 57.90 54.77 2dkw n TYR 82 Cb 0.26 -1.31 -0.12 0.00 -0.31 0.00 0.00 39.34 37.86 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 -1.23 4.05 0.68 7.72 0.01 -0.50 -4.35 114.94 121.32 2dkw s ASN 83 Ca 0.57 -3.51 -0.14 0.00 -0.71 0.00 0.00 52.86 49.07 2dkw s ASN 83 Cb 0.45 -1.36 0.01 0.00 0.41 0.00 0.00 41.25 40.76 2dkw s ASN 83 CO -0.18 -0.13 1.11 -2.16 -1.51 0.00 0.00 177.10 174.23 2dkw s PRO 84 N -0.89 2.70 -0.12 -0.60 0.04 -1.26 -4.92 135.00 129.94 2dkw s PRO 84 Ca 0.25 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.67 2dkw s PRO 84 Cb -0.07 -1.94 0.26 0.00 0.04 0.00 0.00 34.50 32.79 2dkw s PRO 84 CO -0.14 -1.32 1.14 -3.47 0.04 0.00 0.00 177.00 173.25 2dkw n ASP 85 N -2.62 2.99 -0.21 6.66 2.03 -1.26 -4.48 116.55 119.65 2dkw n ASP 85 Ca 0.10 -2.45 -0.02 0.00 0.52 0.00 0.00 54.79 52.94 2dkw n ASP 85 Cb 0.52 -0.59 0.04 0.00 -0.72 0.00 0.00 41.12 40.37 2dkw n ASP 85 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2dkw h LYS 86 N 0.85 -0.07 -6.22 -0.67 1.63 -2.03 -3.41 116.57 106.65 2dkw h LYS 86 Ca 0.12 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.37 2dkw h LYS 86 Cb 1.36 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.93 2dkw h LYS 86 CO 0.29 -0.05 -0.58 0.16 -3.45 0.00 0.00 179.45 175.83 2dkw s ASP 87 N -5.20 5.30 0.10 4.20 -4.77 -1.26 -5.04 116.67 109.99 2dkw s ASP 87 Ca -0.14 -0.26 -0.15 0.00 -3.30 0.00 0.00 52.55 48.70 2dkw s ASP 87 Cb 0.18 -1.30 -0.08 0.00 -1.09 0.00 0.00 42.92 40.63 2dkw s ASP 87 CO 0.72 0.03 1.42 1.55 0.70 0.00 0.00 175.17 179.60 2dkw h PRO 88 N 2.11 0.72 -0.44 2.11 0.13 -1.97 -3.06 132.00 131.59 2dkw h PRO 88 Ca -0.47 -0.38 0.13 0.00 -0.87 0.00 0.00 66.00 64.41 2dkw h PRO 88 Cb 1.22 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2dkw h PRO 88 CO 0.61 0.99 0.61 0.78 -0.23 0.00 0.00 178.00 180.77 2dkw h GLY 89 N 0.46 0.00 -0.71 1.56 0.00 -1.96 -1.43 103.07 100.99 2dkw h GLY 89 Ca 0.05 0.00 0.36 0.00 0.00 0.00 0.00 47.33 47.74 2dkw h GLY 89 CO 0.07 0.00 0.60 -1.80 0.00 0.00 0.00 176.54 175.41 2dkw h ASP 90 N 0.00 0.43 -0.99 0.19 1.82 -1.89 0.95 116.42 116.93 2dkw h ASP 90 Ca 0.21 0.20 0.23 0.00 -0.39 0.00 0.00 57.03 57.27 2dkw h ASP 90 Cb 1.43 0.17 -0.19 0.00 0.68 0.00 0.00 39.33 41.42 2dkw h ASP 90 CO -0.00 -0.21 -0.14 0.29 -1.61 0.00 0.00 179.24 177.56 2dkw n LYS 91 N -5.04 -0.08 0.14 0.28 4.76 -0.54 -1.24 118.16 116.43 2dkw n LYS 91 Ca 0.34 1.51 -0.08 0.00 -2.87 0.00 0.00 58.31 57.21 2dkw n LYS 91 Cb 1.12 -2.32 -0.04 0.00 -1.84 0.00 0.00 35.03 31.95 2dkw n LYS 91 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2dkw h ILE 92 N 0.00 0.00 -0.86 -0.18 2.04 -1.05 -2.71 117.51 114.75 2dkw h ILE 92 Ca 0.52 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.46 2dkw h ILE 92 Cb 0.92 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.90 2dkw h ILE 92 CO -0.98 0.00 -0.49 -0.38 0.00 0.00 0.00 178.15 176.29 2dkw n ILE 93 N -3.67 -0.57 -0.29 -0.67 5.41 -0.38 0.69 119.36 119.87 2dkw n ILE 93 Ca -0.05 2.07 0.07 0.00 1.00 0.00 0.00 62.75 65.84 2dkw n ILE 93 Cb 0.21 -2.57 0.18 0.00 -0.71 0.00 0.00 39.64 36.74 2dkw n ILE 93 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2dkw h ARG 94 N 0.00 0.05 -0.41 0.38 3.08 -1.33 0.62 114.38 116.78 2dkw h ARG 94 Ca 0.15 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 2dkw h ARG 94 Cb 0.36 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2dkw h ARG 94 CO -0.81 0.03 -0.11 0.45 -1.07 0.00 0.00 179.97 178.46 2dkw h HIS 95 N 0.05 0.79 -0.20 3.04 3.86 0.59 -3.06 115.15 120.23 2dkw h HIS 95 Ca 0.46 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 2dkw h HIS 95 Cb 0.83 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 2dkw h HIS 95 CO -0.51 0.80 0.13 0.00 0.86 0.00 0.00 177.93 179.21 2dkw h ARG 96 N 0.66 0.27 -0.97 2.45 2.47 0.26 -2.45 114.38 117.07 2dkw h ARG 96 Ca 0.11 -0.02 0.24 0.00 -1.26 0.00 0.00 59.98 59.05 2dkw h ARG 96 Cb 0.57 -0.06 -0.13 0.00 -1.65 0.00 0.00 29.97 28.71 2dkw h ARG 96 CO 0.04 0.20 0.52 0.00 0.56 0.00 0.00 179.97 181.29 2dkw h ALA 97 N 1.05 1.67 -0.15 0.04 0.00 -0.98 0.44 119.26 121.35 2dkw h ALA 97 Ca 0.07 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2dkw h ALA 97 Cb -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2dkw h ALA 97 CO -0.01 -0.31 -0.45 0.00 0.00 0.00 0.00 179.25 178.48 2dkw h THR 99 N 0.30 0.88 -0.04 0.00 2.02 0.22 -2.66 112.91 113.63 2dkw h THR 99 Ca 0.02 -1.42 -0.20 0.00 0.77 0.00 0.00 66.41 65.59 2dkw h THR 99 Cb 0.91 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.18 2dkw h THR 99 CO 0.08 0.35 -0.81 0.25 0.37 0.00 0.00 175.52 175.75 2dkw h LEU 100 N 0.00 0.45 0.15 2.58 5.85 -0.84 -2.26 115.31 121.23 2dkw h LEU 100 Ca -0.00 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 2dkw h LEU 100 Cb 0.83 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2dkw h LEU 100 CO 0.05 1.09 -0.07 0.50 -0.34 0.00 0.00 178.44 179.66 2dkw h LYS 101 N 0.23 -0.19 0.27 1.25 3.64 -1.37 -2.79 116.57 117.61 2dkw h LYS 101 Ca -0.05 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2dkw h LYS 101 Cb 1.41 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 2dkw h LYS 101 CO 0.14 0.25 -0.22 -0.44 -2.27 0.00 0.00 179.45 176.91 2dkw h ASP 102 N -0.74 -0.56 -0.54 4.20 5.19 -1.57 -1.16 116.42 121.22 2dkw h ASP 102 Ca -0.02 0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.54 2dkw h ASP 102 Cb 0.53 0.19 -0.11 0.00 0.18 0.00 0.00 39.33 40.11 2dkw h ASP 102 CO 0.03 -0.33 -0.24 0.74 -3.12 0.00 0.00 179.24 176.33 2dkw h THR 103 N -0.50 0.30 0.57 0.35 2.02 -1.51 0.50 112.91 114.64 2dkw h THR 103 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 2dkw h THR 103 Cb 0.44 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2dkw h THR 103 CO -0.02 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.55 2dkw h ALA 104 N 1.24 -1.18 -1.18 6.16 0.00 -1.29 -1.74 119.26 121.27 2dkw h ALA 104 Ca 0.25 -0.17 0.37 0.00 0.00 0.00 0.00 54.91 55.36 2dkw h ALA 104 Cb 0.50 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 2dkw h ALA 104 CO -0.61 -1.14 0.74 0.45 0.00 0.00 0.00 179.25 178.69 2dkw h HIS 105 N -0.82 0.65 0.65 0.00 -0.00 -0.87 -0.57 115.15 114.19 2dkw h HIS 105 Ca -0.08 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.29 2dkw h HIS 105 Cb 0.65 -0.17 0.01 0.00 -0.00 0.00 0.00 27.41 27.89 2dkw h HIS 105 CO 0.01 -0.16 -0.31 0.00 -0.00 0.00 0.00 177.93 177.47 2dkw h ALA 106 N 1.68 -1.00 -0.90 2.45 0.00 -0.53 -2.39 119.26 118.57 2dkw h ALA 106 Ca 0.76 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.72 2dkw h ALA 106 Cb 2.14 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 20.13 2dkw h ALA 106 CO -0.45 -0.93 0.33 0.82 0.00 0.00 0.00 179.25 179.02 2dkw h ILE 107 N -1.07 0.37 -0.10 0.00 2.04 -0.24 1.09 117.51 119.59 2dkw h ILE 107 Ca -0.09 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2dkw h ILE 107 Cb 0.67 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2dkw h ILE 107 CO 0.15 0.05 0.01 0.40 0.00 0.00 0.00 178.15 178.76 2dkw h ILE 108 N 0.29 0.95 0.00 -0.67 1.08 -1.27 0.11 117.51 118.00 2dkw h ILE 108 Ca 0.58 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 65.03 2dkw h ILE 108 Cb 1.16 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2dkw h ILE 108 CO -0.60 0.01 0.00 0.00 -0.69 0.00 0.00 178.15 176.87 2dkw h ALA 109 N 1.08 1.00 0.00 1.87 0.00 -0.34 0.43 119.26 123.30 2dkw h ALA 109 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2dkw h ALA 109 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2dkw h ALA 109 CO -0.07 0.00 -0.92 0.00 0.00 0.00 0.00 179.25 178.26 2dkw h ALA 110 N 2.39 0.64 0.00 0.00 0.00 0.19 -3.42 119.26 119.06 2dkw h ALA 110 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2dkw h ALA 110 Cb 0.70 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2dkw h ALA 110 CO 0.00 0.80 -0.40 0.39 0.00 0.00 0.00 179.25 180.04 2dkw n GLU 111 N -3.10 0.14 -1.48 0.00 -0.58 0.32 -5.04 120.64 110.90 2dkw n GLU 111 Ca -0.03 0.06 -0.43 0.00 -0.42 0.00 0.00 57.16 56.33 2dkw n GLU 111 Cb 0.80 -0.74 -0.00 0.00 -0.57 0.00 0.00 31.44 30.92 2dkw n GLU 111 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2dkw n LEU 112 N -3.70 0.24 -4.48 -4.62 7.94 0.15 -4.99 117.00 107.55 2dkw n LEU 112 Ca -0.05 1.02 -0.26 0.00 -1.11 0.00 0.00 56.01 55.60 2dkw n LEU 112 Cb 0.19 -1.13 -0.11 0.00 0.53 0.00 0.00 43.42 42.90 2dkw n LEU 112 CO 0.05 -2.52 -0.49 -1.81 -1.11 0.00 0.00 177.39 171.52 2dkw s ASP 113 N -0.85 3.71 0.00 1.96 1.11 -1.26 -4.71 116.67 116.62 2dkw s ASP 113 Ca 0.62 -0.81 0.15 0.00 0.18 0.00 0.00 52.55 52.70 2dkw s ASP 113 Cb -0.68 -0.40 0.90 0.00 1.07 0.00 0.00 42.92 43.80 2dkw s ASP 113 CO 0.58 0.10 1.35 -0.81 1.18 0.00 0.00 175.17 177.57 2dkw n PRO 114 N 0.04 0.44 -0.11 8.23 -0.04 -1.26 -1.68 135.00 140.63 2dkw n PRO 114 Ca -0.11 0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.24 2dkw n PRO 114 Cb 0.56 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.04 0.72 0.07 0.54 -0.00 -1.26 -4.20 120.64 115.46 2dkw n GLU 115 Ca 0.11 0.09 -0.11 0.00 -0.00 0.00 0.00 57.16 57.25 2dkw n GLU 115 Cb 0.06 -1.45 -0.13 0.00 -0.00 0.00 0.00 31.44 29.92 2dkw n GLU 115 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2dkw h PHE 116 N 0.00 0.22 -0.02 -1.84 3.57 -1.92 -3.18 116.94 113.77 2dkw h PHE 116 Ca -0.49 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 60.78 2dkw h PHE 116 Cb 1.86 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.58 2dkw h PHE 116 CO 0.02 1.14 -0.32 -0.97 -2.23 0.00 0.00 178.31 175.95 2dkw h ASN 117 N 0.03 0.04 1.16 0.41 -1.24 -1.56 -2.32 115.58 112.11 2dkw h ASN 117 Ca -0.11 -0.01 -0.14 0.00 0.71 0.00 0.00 56.30 56.75 2dkw h ASN 117 Cb 1.89 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 40.91 2dkw h ASN 117 CO 0.15 0.36 -0.65 0.07 -1.29 0.00 0.00 177.43 176.07 2dkw h LYS 118 N 0.04 0.00 0.07 6.67 2.10 -1.73 -3.22 116.57 120.50 2dkw h LYS 118 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2dkw h LYS 118 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 2dkw h LYS 118 CO 0.04 0.65 -0.03 -0.07 -2.00 0.00 0.00 179.45 178.04 2dkw h LEU 119 N 0.00 -0.08 -0.97 7.07 3.38 -1.42 -1.55 115.31 121.74 2dkw h LEU 119 Ca -0.01 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.19 2dkw h LEU 119 Cb 1.41 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 42.00 2dkw h LEU 119 CO 0.08 0.02 -0.15 0.00 0.09 0.00 0.00 178.44 178.49 2dkw h GLU 121 N 0.00 0.24 -0.84 0.00 4.11 -1.67 -3.16 114.58 113.27 2dkw h GLU 121 Ca 0.51 -0.11 0.19 0.00 0.07 0.00 0.00 59.36 60.02 2dkw h GLU 121 Cb 0.89 -0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.98 2dkw h GLU 121 CO -0.97 0.61 -0.05 1.49 0.07 0.00 0.00 179.01 180.16 2dkw h GLU 122 N 0.21 0.05 0.00 1.06 4.81 0.35 1.23 114.58 122.29 2dkw h GLU 122 Ca 0.02 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2dkw h GLU 122 Cb 0.80 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 2dkw h GLU 122 CO 0.06 0.04 -0.11 0.82 -0.73 0.00 0.00 179.01 179.08 2dkw h ILE 123 N 0.05 0.83 -0.72 2.32 2.04 -1.49 -2.78 117.51 117.76 2dkw h ILE 123 Ca 0.46 -0.43 0.15 0.00 1.00 0.00 0.00 64.86 66.05 2dkw h ILE 123 Cb 0.82 1.25 -0.11 0.00 -0.74 0.00 0.00 36.82 38.04 2dkw h ILE 123 CO -0.78 0.11 0.17 0.50 0.00 0.00 0.00 178.15 178.15 2dkw h LYS 124 N 0.00 0.26 -0.15 2.37 3.64 0.14 -0.43 116.57 122.41 2dkw h LYS 124 Ca -0.00 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2dkw h LYS 124 Cb 0.24 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2dkw h LYS 124 CO 0.01 0.17 -0.24 0.93 -2.27 0.00 0.00 179.45 178.06 2dkw h GLU 125 N 0.27 -0.19 0.32 1.90 4.39 -1.51 -2.78 114.58 116.99 2dkw h GLU 125 Ca 0.40 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.12 2dkw h GLU 125 Cb 0.68 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2dkw h GLU 125 CO -0.50 -0.12 -0.29 0.77 -1.16 0.00 0.00 179.01 177.71 2dkw h SER 126 N -0.19 -0.77 0.00 1.42 0.02 -1.63 -3.44 113.55 108.96 2dkw h SER 126 Ca 0.03 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2dkw h SER 126 Cb 0.27 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2dkw h SER 126 CO -0.24 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 175.64 2dkw n GLY 127 N -1.41 -2.25 3.72 -3.77 0.00 -0.21 -4.93 105.19 96.33 2dkw n GLY 127 Ca -0.09 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 2dkw n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkw s PRO 128 N 0.00 4.34 0.33 1.61 0.04 -1.25 -4.89 135.00 135.18 2dkw s PRO 128 Ca 0.00 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.15 2dkw s PRO 128 Cb 0.00 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 2dkw s PRO 128 CO 0.00 -0.40 0.32 -1.12 0.04 0.00 0.00 177.00 175.84 2dkw s SER 129 N 1.03 5.42 0.08 6.66 0.01 -1.26 -4.82 113.70 120.82 2dkw s SER 129 Ca 0.63 -0.43 -0.35 0.00 1.31 0.00 0.00 55.95 57.11 2dkw s SER 129 Cb -0.36 -1.03 -0.18 0.00 0.21 0.00 0.00 66.02 64.66 2dkw s SER 129 CO 0.31 -0.36 1.59 -1.28 0.41 0.00 0.00 173.24 173.90 2dkw h SER 130 N 1.19 -1.12 0.00 2.44 0.87 -1.96 -3.53 113.55 111.44 2dkw h SER 130 Ca -0.45 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2dkw h SER 130 Cb 1.25 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 2dkw h SER 130 CO 0.57 -0.67 0.00 0.61 -0.53 0.00 0.00 176.83 176.82