#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 6.92 0.29 1.61 0.01 -1.26 -5.03 113.70 116.25 2dkw s SER 2 Ca 0.00 1.12 -0.29 0.00 1.31 0.00 0.00 55.95 58.08 2dkw s SER 2 Cb 0.00 -2.41 -0.10 0.00 0.21 0.00 0.00 66.02 63.72 2dkw s SER 2 CO 0.00 -0.23 1.38 -0.94 0.41 0.00 0.00 173.24 173.86 2dkw s SER 3 N 0.99 6.69 0.00 2.44 1.04 -1.26 -4.61 113.70 118.99 2dkw s SER 3 Ca 0.36 2.69 0.00 0.00 0.48 0.00 0.00 55.95 59.49 2dkw s SER 3 Cb -0.17 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.31 2dkw s SER 3 CO 0.15 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2dkw n GLY 4 N 1.48 -1.33 2.31 7.32 0.00 -1.26 -5.15 105.19 108.55 2dkw n GLY 4 Ca 0.03 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.45 2dkw n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dkw n SER 5 N 0.00 1.31 -1.77 1.61 7.64 -1.26 -5.05 113.62 116.10 2dkw n SER 5 Ca 0.00 -1.93 -0.19 0.00 1.01 0.00 0.00 58.87 57.76 2dkw n SER 5 Cb 0.00 -0.23 0.06 0.00 -1.01 0.00 0.00 64.21 63.03 2dkw n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dkw n SER 6 N -2.55 4.45 -0.01 6.43 3.41 -1.26 -4.58 113.62 119.51 2dkw n SER 6 Ca 0.09 -3.78 -0.02 0.00 -0.26 0.00 0.00 58.87 54.90 2dkw n SER 6 Cb 0.36 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.80 -0.08 0.10 5.00 0.00 -1.26 -4.60 105.19 103.54 2dkw n GLY 7 Ca 0.40 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 0.15 0.48 1.61 2.35 -1.96 -3.09 115.58 115.13 2dkw h ASN 8 Ca -0.06 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 2dkw h ASN 8 Cb 1.13 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.44 2dkw h ASN 8 CO -0.00 1.27 -0.09 0.74 -1.65 0.00 0.00 177.43 177.70 2dkw h THR 9 N 0.03 0.39 0.00 2.81 2.02 -1.85 -2.39 112.91 113.91 2dkw h THR 9 Ca -0.31 -0.51 -0.13 0.00 0.77 0.00 0.00 66.41 66.23 2dkw h THR 9 Cb 2.01 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.76 2dkw h THR 9 CO 0.09 0.09 -1.76 0.18 0.37 0.00 0.00 175.52 174.49 2dkw n LEU 10 N -3.44 0.39 0.12 2.58 4.77 -1.25 -3.80 117.00 116.37 2dkw n LEU 10 Ca -0.01 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.01 2dkw n LEU 10 Cb 0.24 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 2dkw n LEU 10 CO 0.28 0.13 0.52 -0.09 -1.33 0.00 0.00 177.39 176.90 2dkw h ARG 11 N 0.00 -0.31 -0.80 3.23 1.12 -1.35 -1.65 114.38 114.62 2dkw h ARG 11 Ca -0.17 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.71 2dkw h ARG 11 Cb 1.46 0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 31.45 2dkw h ARG 11 CO 0.02 0.04 0.46 1.05 -3.11 0.00 0.00 179.97 178.43 2dkw h GLU 12 N -0.75 1.09 0.70 0.20 4.11 -1.68 -3.05 114.58 115.20 2dkw h GLU 12 Ca -0.03 -0.11 -0.03 0.00 0.07 0.00 0.00 59.36 59.25 2dkw h GLU 12 Cb 0.50 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.53 2dkw h GLU 12 CO 0.05 0.78 -0.34 1.25 0.07 0.00 0.00 179.01 180.83 2dkw h LEU 13 N 1.10 -0.79 -0.96 3.06 5.85 -1.65 -2.35 115.31 119.57 2dkw h LEU 13 Ca 0.28 0.00 0.20 0.00 0.84 0.00 0.00 57.88 59.20 2dkw h LEU 13 Cb -0.01 0.21 -0.18 0.00 0.37 0.00 0.00 40.66 41.04 2dkw h LEU 13 CO -0.05 -0.50 -0.22 -1.14 -0.34 0.00 0.00 178.44 176.19 2dkw n ARG 14 N -5.45 -0.09 -0.22 1.25 0.63 -0.62 0.16 116.66 112.32 2dkw n ARG 14 Ca -0.13 1.49 -0.04 0.00 -0.92 0.00 0.00 57.85 58.24 2dkw n ARG 14 Cb 0.39 -2.23 0.13 0.00 0.45 0.00 0.00 32.46 31.20 2dkw n ARG 14 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2dkw h LEU 15 N 0.00 0.95 0.57 6.15 3.38 -1.46 -2.37 115.31 122.53 2dkw h LEU 15 Ca 0.47 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 2dkw h LEU 15 Cb 0.73 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dkw h LEU 15 CO -0.98 0.86 -0.28 0.15 0.09 0.00 0.00 178.44 178.28 2dkw h PHE 16 N 1.01 -0.74 -0.91 1.13 3.57 0.21 0.28 116.94 121.49 2dkw h PHE 16 Ca 0.23 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.94 2dkw h PHE 16 Cb 0.22 0.25 -0.13 0.00 2.79 0.00 0.00 35.95 39.08 2dkw h PHE 16 CO 0.02 -0.45 0.41 -0.07 -2.23 0.00 0.00 178.31 175.98 2dkw h LEU 17 N -0.78 0.35 -0.80 0.59 3.38 -1.21 0.43 115.31 117.28 2dkw h LEU 17 Ca -0.08 0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2dkw h LEU 17 Cb 0.60 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2dkw h LEU 17 CO 0.12 -0.00 -0.31 -0.09 0.09 0.00 0.00 178.44 178.25 2dkw h ARG 18 N 0.41 0.55 -0.25 1.13 2.43 -1.26 -1.83 114.38 115.55 2dkw h ARG 18 Ca 0.57 -0.24 -0.12 0.00 -0.81 0.00 0.00 59.98 59.38 2dkw h ARG 18 Cb 1.09 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2dkw h ARG 18 CO -0.53 0.80 -0.36 -0.44 -1.51 0.00 0.00 179.97 177.93 2dkw h ASP 19 N 0.47 0.57 0.20 -3.80 3.32 0.35 -1.31 116.42 116.22 2dkw h ASP 19 Ca 0.06 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2dkw h ASP 19 Cb 0.77 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2dkw h ASP 19 CO 0.06 0.88 -0.09 0.58 -1.72 0.00 0.00 179.24 178.95 2dkw h VAL 20 N 0.46 0.80 0.14 -1.35 2.07 -0.69 -2.90 116.25 114.78 2dkw h VAL 20 Ca 0.05 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.58 2dkw h VAL 20 Cb 0.84 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2dkw h VAL 20 CO 0.07 0.19 -0.15 0.74 0.02 0.00 0.00 177.57 178.44 2dkw h THR 21 N -0.83 0.66 -0.62 2.57 2.02 -1.38 -2.77 112.91 112.55 2dkw h THR 21 Ca -0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.28 2dkw h THR 21 Cb 0.52 0.66 -0.12 0.00 -1.74 0.00 0.00 68.15 67.46 2dkw h THR 21 CO 0.04 0.00 -0.18 0.50 0.37 0.00 0.00 175.52 176.25 2dkw h LYS 22 N -0.33 -0.03 -0.74 6.66 3.11 -1.35 0.94 116.57 124.83 2dkw h LYS 22 Ca 0.01 0.00 0.15 0.00 -2.81 0.00 0.00 60.65 58.00 2dkw h LYS 22 Cb 0.32 0.01 -0.10 0.00 -1.00 0.00 0.00 32.23 31.45 2dkw h LYS 22 CO -0.05 -0.02 0.23 -0.09 -2.81 0.00 0.00 179.45 176.71 2dkw h ARG 23 N -0.03 0.32 0.65 1.90 9.65 -1.28 -0.63 114.38 124.97 2dkw h ARG 23 Ca 0.29 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.12 2dkw h ARG 23 Cb 0.48 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2dkw h ARG 23 CO -0.65 0.21 -0.31 -0.07 2.80 0.00 0.00 179.97 181.95 2dkw h LEU 24 N 0.33 -0.74 -0.80 3.80 3.38 -0.67 0.14 115.31 120.74 2dkw h LEU 24 Ca 0.42 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.57 2dkw h LEU 24 Cb 0.69 0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.51 2dkw h LEU 24 CO -0.47 -0.46 0.19 0.00 0.09 0.00 0.00 178.44 177.79 2dkw h ALA 25 N -0.73 1.08 -0.33 1.53 0.00 -0.67 0.14 119.26 120.29 2dkw h ALA 25 Ca -0.09 0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2dkw h ALA 25 Cb 0.71 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2dkw h ALA 25 CO 0.15 -0.39 -0.29 1.79 0.00 0.00 0.00 179.25 180.50 2dkw h THR 26 N 0.23 1.29 -1.01 0.00 1.35 -1.02 -3.33 112.91 110.43 2dkw h THR 26 Ca 0.48 -1.45 -0.69 0.00 -0.55 0.00 0.00 66.41 64.19 2dkw h THR 26 Cb 0.88 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 68.77 2dkw h THR 26 CO -0.59 0.47 1.33 0.47 -0.25 0.00 0.00 175.52 176.96 2dkw n ASP 27 N -4.22 2.00 -0.52 5.36 8.00 0.48 -4.75 116.55 122.89 2dkw n ASP 27 Ca -0.03 0.55 0.44 0.00 0.71 0.00 0.00 54.79 56.45 2dkw n ASP 27 Cb 0.48 -1.20 0.77 0.00 -0.02 0.00 0.00 41.12 41.15 2dkw n ASP 27 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2dkw h LYS 28 N 11.19 0.02 -0.23 -1.24 1.79 -1.84 0.93 116.57 127.18 2dkw h LYS 28 Ca -0.27 -0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.06 2dkw h LYS 28 Cb 1.33 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.98 2dkw h LYS 28 CO 1.02 0.01 -0.38 0.00 -1.08 0.00 0.00 179.45 179.02 2dkw h ARG 29 N 0.02 0.66 -0.84 3.15 -0.00 -1.88 -3.23 114.38 112.27 2dkw h ARG 29 Ca 0.77 -0.40 -0.55 0.00 -0.50 0.00 0.00 59.98 59.30 2dkw h ARG 29 Cb 3.01 0.04 -0.30 0.00 0.00 0.00 0.00 29.97 32.72 2dkw h ARG 29 CO -0.05 1.02 0.29 1.19 0.00 0.00 0.00 179.97 182.42 2dkw n PHE 30 N -4.24 2.75 -0.09 3.04 3.72 0.30 -4.45 117.46 118.50 2dkw n PHE 30 Ca -0.05 -2.44 -0.09 0.00 -0.05 0.00 0.00 57.45 54.82 2dkw n PHE 30 Cb 0.52 -0.97 -0.16 0.00 -0.94 0.00 0.00 39.48 37.94 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 -0.94 0.10 0.31 4.37 2.85 0.15 -3.65 115.26 118.46 2dkw n ASN 31 Ca 0.53 0.05 0.18 0.00 -0.11 0.00 0.00 54.58 55.23 2dkw n ASN 31 Cb 0.94 0.92 1.03 0.00 1.24 0.00 0.00 39.78 43.92 2dkw n ASN 31 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 2dkw h ILE 32 N 0.00 0.33 0.04 -1.44 3.07 -1.78 -0.99 117.51 116.74 2dkw h ILE 32 Ca -0.49 -0.00 -0.25 0.00 1.55 0.00 0.00 64.86 65.67 2dkw h ILE 32 Cb 2.16 1.00 -0.02 0.00 -0.27 0.00 0.00 36.82 39.69 2dkw h ILE 32 CO 0.03 0.00 -1.24 -0.26 -1.05 0.00 0.00 178.15 175.64 2dkw h PHE 33 N 0.00 0.15 -0.76 0.16 0.04 -1.90 -3.34 116.94 111.29 2dkw h PHE 33 Ca -0.00 -0.11 0.30 0.00 2.80 0.00 0.00 57.97 60.97 2dkw h PHE 33 Cb 0.00 -0.01 -0.12 0.00 2.20 0.00 0.00 35.95 38.03 2dkw h PHE 33 CO 0.00 1.10 0.43 0.45 -0.60 0.00 0.00 178.31 179.69 2dkw n SER 34 N -3.34 0.23 -4.40 2.17 2.88 -0.37 -4.23 113.62 106.55 2dkw n SER 34 Ca -0.07 1.14 -0.26 0.00 -1.33 0.00 0.00 58.87 58.35 2dkw n SER 34 Cb 0.99 -0.56 -0.12 0.00 -0.75 0.00 0.00 64.21 63.77 2dkw n SER 34 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2dkw s LYS 35 N -5.02 1.47 -0.28 -1.46 0.00 -1.25 -4.09 119.74 109.11 2dkw s LYS 35 Ca -0.06 -1.49 -0.29 0.00 0.00 0.00 0.00 55.97 54.13 2dkw s LYS 35 Cb 0.24 -1.76 -0.02 0.00 0.00 0.00 0.00 37.83 36.28 2dkw s LYS 35 CO 0.56 0.38 1.65 -1.25 0.00 0.00 0.00 175.35 176.69 2dkw s PRO 36 N -2.63 3.63 0.00 1.78 0.04 -1.26 -4.88 135.00 131.68 2dkw s PRO 36 Ca 0.19 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 2dkw s PRO 36 Cb -0.08 -4.08 -0.15 0.00 0.04 0.00 0.00 34.50 30.23 2dkw s PRO 36 CO 0.09 -1.50 2.82 1.33 0.04 0.00 0.00 177.00 179.79 2dkw n VAL 37 N 6.80 2.46 -4.59 -0.36 0.24 -1.26 -4.82 118.33 116.80 2dkw n VAL 37 Ca 0.20 -1.03 -0.27 0.00 -2.04 0.00 0.00 64.34 61.20 2dkw n VAL 37 Cb 0.46 -1.77 -0.09 0.00 -1.47 0.00 0.00 33.84 30.97 2dkw n VAL 37 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2dkw s SER 38 N 2.03 3.27 -0.01 -1.34 1.04 -1.26 -4.87 113.70 112.56 2dkw s SER 38 Ca 0.37 -1.54 0.01 0.00 0.48 0.00 0.00 55.95 55.27 2dkw s SER 38 Cb 0.18 0.20 -0.26 0.00 0.10 0.00 0.00 66.02 66.24 2dkw s SER 38 CO 0.00 -0.74 0.80 -0.78 0.98 0.00 0.00 173.24 173.50 2dkw h ASP 39 N 1.74 0.27 -4.03 7.02 1.82 -1.98 -3.48 116.42 117.77 2dkw h ASP 39 Ca -0.41 -0.41 -0.35 0.00 -0.39 0.00 0.00 57.03 55.47 2dkw h ASP 39 Cb 1.27 -0.09 -0.09 0.00 0.68 0.00 0.00 39.33 41.11 2dkw h ASP 39 CO 0.69 1.35 -0.32 0.00 -1.61 0.00 0.00 179.24 179.35 2dkw n TYR 40 N -3.35 -0.32 0.13 0.28 9.36 -1.26 -5.07 117.16 116.94 2dkw n TYR 40 Ca -0.17 -1.89 0.01 0.00 3.32 0.00 0.00 57.90 59.18 2dkw n TYR 40 Cb 1.04 0.13 -0.02 0.00 -0.63 0.00 0.00 39.34 39.86 2dkw n TYR 40 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 2dkw n LEU 41 N 0.00 0.14 -0.70 2.98 -0.00 -1.26 -4.55 117.00 113.60 2dkw n LEU 41 Ca 0.02 -0.50 0.10 0.00 -0.00 0.00 0.00 56.01 55.62 2dkw n LEU 41 Cb 0.42 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.90 2dkw n LEU 41 CO 0.22 0.03 0.50 -0.62 -0.00 0.00 0.00 177.39 177.52 2dkw n GLU 42 N -1.06 1.66 0.10 1.47 1.02 -1.26 -4.26 120.64 118.31 2dkw n GLU 42 Ca 0.01 -1.50 0.12 0.00 -0.02 0.00 0.00 57.16 55.76 2dkw n GLU 42 Cb 0.04 -1.37 0.02 0.00 -0.02 0.00 0.00 31.44 30.11 2dkw n GLU 42 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2dkw h VAL 43 N 3.45 0.00 -3.47 2.62 3.04 -2.00 -3.46 116.25 116.43 2dkw h VAL 43 Ca 0.00 -0.96 -0.53 0.00 -1.01 0.00 0.00 66.70 64.20 2dkw h VAL 43 Cb 0.77 1.48 -0.03 0.00 -2.01 0.00 0.00 31.29 31.49 2dkw h VAL 43 CO 0.00 0.00 -0.03 -0.63 -1.01 0.00 0.00 177.57 175.90 2dkw s ILE 44 N -3.34 4.80 -0.03 3.17 1.09 -1.26 -5.01 121.20 120.61 2dkw s ILE 44 Ca 0.00 0.82 -0.23 0.00 -1.10 0.00 0.00 60.65 60.15 2dkw s ILE 44 Cb 0.10 -3.70 -0.23 0.00 -1.06 0.00 0.00 42.46 37.57 2dkw s ILE 44 CO 0.78 0.07 1.07 0.11 -0.10 0.00 0.00 174.94 176.87 2dkw h LYS 45 N 3.01 0.25 -2.63 2.79 1.79 -1.93 -3.40 116.57 116.45 2dkw h LYS 45 Ca -0.48 -0.25 -0.60 0.00 -2.18 0.00 0.00 60.65 57.14 2dkw h LYS 45 Cb 1.18 0.07 -0.40 0.00 -1.58 0.00 0.00 32.23 31.50 2dkw h LYS 45 CO 0.67 0.96 -0.79 0.39 -1.08 0.00 0.00 179.45 179.59 2dkw n GLU 46 N -4.43 1.08 -2.19 3.15 1.02 -1.26 -5.10 120.64 112.90 2dkw n GLU 46 Ca -0.10 -3.84 -0.42 0.00 -0.02 0.00 0.00 57.16 52.79 2dkw n GLU 46 Cb 0.54 -1.94 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 2dkw n GLU 46 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2dkw s PRO 47 N -0.85 4.32 -0.20 3.49 0.04 -1.26 -4.92 135.00 135.61 2dkw s PRO 47 Ca 0.30 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.10 2dkw s PRO 47 Cb 0.02 -3.35 0.11 0.00 0.04 0.00 0.00 34.50 31.32 2dkw s PRO 47 CO -0.17 -0.47 0.93 1.41 0.04 0.00 0.00 177.00 178.74 2dkw s MET 48 N 1.47 0.66 0.33 4.56 1.75 -1.26 -5.16 119.30 121.66 2dkw s MET 48 Ca 0.64 0.42 -0.01 0.00 -1.25 0.00 0.00 55.69 55.49 2dkw s MET 48 Cb -0.35 0.32 0.01 0.00 2.84 0.00 0.00 34.83 37.64 2dkw s MET 48 CO 0.29 -0.15 0.45 -0.25 -0.65 0.00 0.00 175.02 174.71 2dkw n ASP 49 N 1.51 -1.26 0.23 1.11 9.92 -1.26 -4.80 116.55 121.99 2dkw n ASP 49 Ca -0.13 -2.80 0.10 0.00 -0.53 0.00 0.00 54.79 51.43 2dkw n ASP 49 Cb 0.57 2.37 0.49 0.00 -0.64 0.00 0.00 41.12 43.90 2dkw n ASP 49 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2dkw h LEU 50 N 0.00 0.00 0.81 0.64 3.38 -1.76 -3.08 115.31 115.29 2dkw h LEU 50 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2dkw h LEU 50 Cb 1.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.88 2dkw h LEU 50 CO 0.35 0.21 -0.39 -1.28 0.09 0.00 0.00 178.44 177.42 2dkw h SER 51 N 0.00 -0.92 -0.01 -0.43 0.87 -1.90 -2.04 113.55 109.13 2dkw h SER 51 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2dkw h SER 51 Cb 0.71 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2dkw h SER 51 CO 0.03 -0.55 0.05 0.00 -0.53 0.00 0.00 176.83 175.83 2dkw h THR 52 N -1.29 0.12 0.05 2.23 1.03 -1.92 -2.29 112.91 110.83 2dkw h THR 52 Ca -0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.29 2dkw h THR 52 Cb 0.83 0.95 0.00 0.00 -1.07 0.00 0.00 68.15 68.86 2dkw h THR 52 CO 0.18 0.00 -0.02 0.58 -0.01 0.00 0.00 175.52 176.25 2dkw h VAL 53 N 0.00 1.30 -0.30 0.00 2.07 -1.41 -2.19 116.25 115.72 2dkw h VAL 53 Ca 0.01 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.16 2dkw h VAL 53 Cb 0.11 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2dkw h VAL 53 CO -0.00 0.34 0.21 0.40 0.02 0.00 0.00 177.57 178.54 2dkw h ILE 54 N -0.73 0.95 0.19 4.57 2.04 -0.81 -2.36 117.51 121.37 2dkw h ILE 54 Ca -0.01 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2dkw h ILE 54 Cb 0.61 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2dkw h ILE 54 CO 0.01 0.04 -0.09 0.74 0.00 0.00 0.00 178.15 178.85 2dkw h THR 55 N 0.20 0.72 -0.64 -0.27 2.02 -1.51 -3.20 112.91 110.24 2dkw h THR 55 Ca 0.13 -1.05 0.13 0.00 0.77 0.00 0.00 66.41 66.39 2dkw h THR 55 Cb 0.28 1.21 -0.12 0.00 -1.74 0.00 0.00 68.15 67.78 2dkw h THR 55 CO -0.02 0.19 -0.15 0.11 0.37 0.00 0.00 175.52 176.01 2dkw h LYS 56 N -0.90 0.00 -0.15 6.66 1.57 -1.13 -2.12 116.57 120.50 2dkw h LYS 56 Ca -0.03 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2dkw h LYS 56 Cb 0.50 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2dkw h LYS 56 CO 0.04 0.00 -0.41 0.82 -0.57 0.00 0.00 179.45 179.33 2dkw h ILE 57 N 0.00 0.00 -0.89 1.86 2.04 -1.52 0.29 117.51 119.29 2dkw h ILE 57 Ca 0.31 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.42 2dkw h ILE 57 Cb 0.47 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 2dkw h ILE 57 CO -0.65 0.00 0.99 -0.78 0.00 0.00 0.00 178.15 177.70 2dkw h ASP 58 N -0.41 0.00 -0.78 1.72 3.58 -1.38 1.44 116.42 120.59 2dkw h ASP 58 Ca 0.03 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.05 2dkw h ASP 58 Cb 0.50 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 41.31 2dkw h ASP 58 CO -0.36 0.00 0.54 0.29 -2.88 0.00 0.00 179.24 176.84 2dkw n LYS 59 N -3.43 2.03 -3.88 0.28 4.01 0.10 -4.88 118.16 112.39 2dkw n LYS 59 Ca 0.19 -2.39 -0.32 0.00 -0.51 0.00 0.00 58.31 55.29 2dkw n LYS 59 Cb 1.27 -1.94 -0.06 0.00 -0.51 0.00 0.00 35.03 33.79 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 -0.73 -1.15 0.04 2.13 8.25 0.49 -4.76 115.22 119.49 2dkw n HIS 60 Ca 0.47 0.51 -0.09 0.00 -0.26 0.00 0.00 57.72 58.35 2dkw n HIS 60 Cb 1.31 -1.52 0.05 0.00 1.12 0.00 0.00 29.99 30.95 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 -0.64 0.50 -3.64 0.41 -0.73 -1.53 -3.42 115.58 106.53 2dkw h ASN 61 Ca -0.44 -0.30 -0.65 0.00 1.87 0.00 0.00 56.30 56.77 2dkw h ASN 61 Cb 1.17 -0.15 -0.16 0.00 0.27 0.00 0.00 38.32 39.46 2dkw h ASN 61 CO 0.66 1.02 -0.19 -0.31 -0.37 0.00 0.00 177.43 178.24 2dkw s TYR 62 N -3.75 3.20 -0.20 0.67 2.02 -1.26 -4.93 117.35 113.10 2dkw s TYR 62 Ca -0.06 0.09 0.17 0.00 -0.37 0.00 0.00 57.07 56.89 2dkw s TYR 62 Cb 0.11 -2.76 0.09 0.00 -0.40 0.00 0.00 41.96 39.00 2dkw s TYR 62 CO 0.84 -0.46 1.41 -0.07 -1.57 0.00 0.00 175.55 175.70 2dkw h LEU 63 N 8.87 0.00 0.00 -1.29 3.38 -1.96 -3.47 115.31 120.83 2dkw h LEU 63 Ca -0.29 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.28 2dkw h LEU 63 Cb 1.14 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 2dkw h LEU 63 CO 0.72 0.41 -0.36 0.35 0.09 0.00 0.00 178.44 179.65 2dkw n THR 64 N -3.16 0.00 -0.00 0.22 -2.24 -1.26 -4.58 114.28 103.25 2dkw n THR 64 Ca 0.01 -1.84 0.09 0.00 -2.27 0.00 0.00 64.05 60.04 2dkw n THR 64 Cb 0.70 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 69.55 2dkw n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dkw n ALA 65 N -1.40 2.67 -0.11 6.98 0.00 -1.26 -4.25 120.51 123.13 2dkw n ALA 65 Ca -0.11 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 2dkw n ALA 65 Cb 0.47 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 2dkw n ALA 65 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dkw h LYS 66 N 0.00 0.82 0.00 0.00 1.63 -1.99 -2.81 116.57 114.21 2dkw h LYS 66 Ca -0.04 -0.41 -0.03 0.00 -0.85 0.00 0.00 60.65 59.31 2dkw h LYS 66 Cb 1.10 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.74 2dkw h LYS 66 CO 0.00 1.05 -0.13 -0.44 -3.45 0.00 0.00 179.45 176.48 2dkw h ASP 67 N 0.60 0.00 -0.07 4.20 3.32 -2.01 -2.81 116.42 119.66 2dkw h ASP 67 Ca 0.06 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 2dkw h ASP 67 Cb 0.88 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.43 2dkw h ASP 67 CO 0.08 0.13 -0.50 0.15 -1.72 0.00 0.00 179.24 177.38 2dkw h PHE 68 N 0.00 0.64 -0.82 4.55 3.57 -1.68 -3.23 116.94 119.97 2dkw h PHE 68 Ca -0.00 -0.30 0.05 0.00 3.53 0.00 0.00 57.97 61.25 2dkw h PHE 68 Cb 0.40 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 2dkw h PHE 68 CO 0.00 1.08 0.54 -0.07 -2.23 0.00 0.00 178.31 177.63 2dkw h LEU 69 N 0.02 0.84 -1.13 0.59 3.38 -1.25 -1.61 115.31 116.16 2dkw h LEU 69 Ca -0.04 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.00 2dkw h LEU 69 Cb 1.16 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 2dkw h LEU 69 CO 0.10 0.57 0.60 0.11 0.09 0.00 0.00 178.44 179.91 2dkw h LYS 70 N 0.97 0.98 -0.83 1.13 1.57 -1.55 -1.30 116.57 117.55 2dkw h LYS 70 Ca 0.34 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 2dkw h LYS 70 Cb 0.11 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 2dkw h LYS 70 CO -0.11 0.65 0.38 -0.44 -0.57 0.00 0.00 179.45 179.36 2dkw h ASP 71 N 1.01 1.11 -0.55 0.86 5.19 -1.34 -2.68 116.42 120.02 2dkw h ASP 71 Ca 0.41 -0.15 -0.09 0.00 -0.62 0.00 0.00 57.03 56.58 2dkw h ASP 71 Cb 0.27 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2dkw h ASP 71 CO -0.17 0.95 0.01 0.40 -3.12 0.00 0.00 179.24 177.31 2dkw h ILE 72 N 1.19 1.26 -0.04 0.35 1.08 -1.17 -2.31 117.51 117.87 2dkw h ILE 72 Ca 0.28 -1.11 0.01 0.00 -0.39 0.00 0.00 64.86 63.66 2dkw h ILE 72 Cb 0.15 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 34.71 2dkw h ILE 72 CO -0.03 0.40 0.09 -0.78 -0.69 0.00 0.00 178.15 177.14 2dkw h ASP 73 N 0.91 0.00 0.00 1.72 3.58 -1.01 -2.52 116.42 119.10 2dkw h ASP 73 Ca 0.17 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 2dkw h ASP 73 Cb 0.52 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2dkw h ASP 73 CO 0.03 0.00 -0.23 0.25 -2.88 0.00 0.00 179.24 176.40 2dkw h LEU 74 N 0.00 0.00 -0.80 2.28 5.85 -1.34 -3.35 115.31 117.95 2dkw h LEU 74 Ca 0.02 -0.68 0.08 0.00 0.84 0.00 0.00 57.88 58.14 2dkw h LEU 74 Cb 0.19 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.11 2dkw h LEU 74 CO -0.00 0.97 -0.57 0.40 -0.34 0.00 0.00 178.44 178.91 2dkw h ILE 75 N -1.00 0.00 -1.13 4.05 2.04 -1.26 0.63 117.51 120.85 2dkw h ILE 75 Ca -0.06 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.18 2dkw h ILE 75 Cb 0.83 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.78 2dkw h ILE 75 CO -0.03 0.00 0.68 0.00 0.00 0.00 0.00 178.15 178.80 2dkw h SER 77 N 0.18 -0.19 -1.07 0.00 0.87 0.01 -3.28 113.55 110.06 2dkw h SER 77 Ca 0.78 -0.16 0.38 0.00 -1.23 0.00 0.00 61.79 61.56 2dkw h SER 77 Cb 2.12 0.05 -0.11 0.00 -0.44 0.00 0.00 62.40 64.01 2dkw h SER 77 CO -0.54 0.34 0.68 0.59 -0.53 0.00 0.00 176.83 177.37 2dkw n ASN 78 N -4.92 0.18 0.00 6.23 4.13 0.22 -1.17 115.26 119.93 2dkw n ASN 78 Ca -0.05 1.13 0.00 0.00 1.68 0.00 0.00 54.58 57.34 2dkw n ASN 78 Cb 0.17 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 2dkw n ASN 78 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dkw n ALA 79 N -2.53 -0.24 -0.29 5.41 0.00 -0.90 -2.77 120.51 119.20 2dkw n ALA 79 Ca 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.68 2dkw n ALA 79 Cb 1.23 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.61 2dkw n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dkw n LEU 80 N -1.30 -0.73 -0.31 0.00 4.77 -0.31 -0.73 117.00 118.38 2dkw n LEU 80 Ca 0.00 1.43 -0.08 0.00 -0.03 0.00 0.00 56.01 57.34 2dkw n LEU 80 Cb 0.00 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 2dkw n LEU 80 CO 0.00 -1.10 0.36 -0.62 -1.33 0.00 0.00 177.39 174.70 2dkw n GLU 81 N -4.60 -0.32 -3.48 3.23 -0.58 -0.95 -2.59 120.64 111.35 2dkw n GLU 81 Ca 0.01 1.13 -0.42 0.00 -0.42 0.00 0.00 57.16 57.46 2dkw n GLU 81 Cb 0.18 -1.66 -0.04 0.00 -0.57 0.00 0.00 31.44 29.34 2dkw n GLU 81 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2dkw s TYR 82 N -5.40 3.74 -0.30 -0.32 1.51 0.09 -4.96 117.35 111.72 2dkw s TYR 82 Ca -0.09 -2.42 -0.16 0.00 -1.01 0.00 0.00 57.07 53.39 2dkw s TYR 82 Cb 0.09 -3.58 0.18 0.00 -0.11 0.00 0.00 41.96 38.54 2dkw s TYR 82 CO 0.47 -0.91 1.11 1.21 -1.11 0.00 0.00 175.55 176.32 2dkw s ASN 83 N 1.34 -0.36 0.17 2.29 3.84 -1.07 -4.77 114.94 116.38 2dkw s ASN 83 Ca 0.21 0.43 -0.30 0.00 0.21 0.00 0.00 52.86 53.40 2dkw s ASN 83 Cb -0.13 1.39 -0.08 0.00 -0.55 0.00 0.00 41.25 41.88 2dkw s ASN 83 CO -0.08 -0.07 1.32 -2.16 -2.79 0.00 0.00 177.10 173.33 2dkw s PRO 84 N 2.42 4.37 -0.02 0.43 0.04 -1.26 -4.95 135.00 136.04 2dkw s PRO 84 Ca -0.01 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 2dkw s PRO 84 Cb -0.05 -3.22 -0.33 0.00 0.04 0.00 0.00 34.50 30.94 2dkw s PRO 84 CO -0.16 -0.30 0.84 0.22 0.04 0.00 0.00 177.00 177.64 2dkw h ASP 85 N 5.88 0.70 -0.51 6.66 1.82 -1.97 -3.30 116.42 125.69 2dkw h ASP 85 Ca -0.44 -0.93 0.15 0.00 -0.39 0.00 0.00 57.03 55.42 2dkw h ASP 85 Cb 1.21 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.98 2dkw h ASP 85 CO 0.80 1.70 0.37 0.50 -1.61 0.00 0.00 179.24 181.00 2dkw h LYS 86 N 0.04 0.00 -7.16 0.28 1.63 -2.01 -3.42 116.57 105.94 2dkw h LYS 86 Ca -0.28 0.00 -0.46 0.00 -0.85 0.00 0.00 60.65 59.05 2dkw h LYS 86 Cb 2.06 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.70 2dkw h LYS 86 CO 0.21 0.00 0.37 -0.51 -3.45 0.00 0.00 179.45 176.07 2dkw s ASP 87 N -6.25 6.63 0.26 4.20 1.11 -1.24 -5.02 116.67 116.36 2dkw s ASP 87 Ca -0.05 1.63 -0.29 0.00 0.18 0.00 0.00 52.55 54.01 2dkw s ASP 87 Cb 0.20 -2.52 -0.09 0.00 1.07 0.00 0.00 42.92 41.57 2dkw s ASP 87 CO 0.73 -0.58 1.26 -2.16 1.18 0.00 0.00 175.17 175.60 2dkw s PRO 88 N -3.82 4.43 0.00 8.23 0.04 -1.26 -3.68 135.00 138.93 2dkw s PRO 88 Ca 0.60 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2dkw s PRO 88 Cb -0.10 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2dkw s PRO 88 CO 0.27 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.59 2dkw n GLY 89 N 1.59 3.23 0.25 0.56 0.00 -1.26 -4.90 105.19 104.66 2dkw n GLY 89 Ca 0.03 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 2dkw n GLY 89 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dkw h ASP 90 N 0.77 0.74 0.00 1.61 1.82 -1.78 0.17 116.42 119.75 2dkw h ASP 90 Ca 0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2dkw h ASP 90 Cb 0.00 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.82 2dkw h ASP 90 CO 0.00 0.56 0.44 0.11 -1.61 0.00 0.00 179.24 178.74 2dkw h LYS 91 N 0.84 0.00 0.00 0.28 1.79 -1.80 -0.51 116.57 117.18 2dkw h LYS 91 Ca 0.22 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.46 2dkw h LYS 91 Cb -0.05 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.56 2dkw h LYS 91 CO -0.04 0.00 -1.87 -0.89 -1.08 0.00 0.00 179.45 175.56 2dkw n ILE 92 N -2.77 0.88 -0.34 1.86 -0.00 -0.56 -4.57 119.36 113.87 2dkw n ILE 92 Ca -0.02 -0.41 0.07 0.00 -0.00 0.00 0.00 62.75 62.39 2dkw n ILE 92 Cb 0.48 -0.91 0.23 0.00 -0.00 0.00 0.00 39.64 39.44 2dkw n ILE 92 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 2dkw h ILE 93 N 0.00 0.87 -0.47 1.39 2.04 0.89 -0.24 117.51 121.99 2dkw h ILE 93 Ca -0.34 -0.30 0.14 0.00 1.00 0.00 0.00 64.86 65.35 2dkw h ILE 93 Cb 1.62 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2dkw h ILE 93 CO -0.03 0.16 0.90 0.03 0.00 0.00 0.00 178.15 179.22 2dkw h ARG 94 N 0.88 0.00 0.00 2.37 3.08 -1.59 -0.36 114.38 118.75 2dkw h ARG 94 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 2dkw h ARG 94 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2dkw h ARG 94 CO -0.29 0.00 -0.38 1.58 -1.07 0.00 0.00 179.97 179.81 2dkw n HIS 95 N -3.04 0.00 -0.54 3.04 -0.00 -0.13 -4.08 115.22 110.47 2dkw n HIS 95 Ca 0.10 0.00 0.43 0.00 0.46 0.00 0.00 57.72 58.71 2dkw n HIS 95 Cb 1.06 -0.19 0.66 0.00 -0.12 0.00 0.00 29.99 31.40 2dkw n HIS 95 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2dkw n ARG 96 N -3.29 0.00 -0.04 1.57 1.74 -0.96 0.15 116.66 115.82 2dkw n ARG 96 Ca -0.05 0.96 -0.14 0.00 -0.77 0.00 0.00 57.85 57.85 2dkw n ARG 96 Cb 0.20 -2.26 -0.12 0.00 -1.02 0.00 0.00 32.46 29.26 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 0.80 0.01 -0.33 7.54 0.00 -1.30 -2.55 119.26 123.43 2dkw h ALA 97 Ca 0.76 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 55.29 2dkw h ALA 97 Cb 3.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 21.02 2dkw h ALA 97 CO -0.01 -0.09 0.22 0.00 0.00 0.00 0.00 179.25 179.37 2dkw h THR 99 N 0.40 1.40 -0.96 0.00 2.02 -1.31 -3.19 112.91 111.27 2dkw h THR 99 Ca 0.12 -1.48 0.27 0.00 0.77 0.00 0.00 66.41 66.10 2dkw h THR 99 Cb 0.02 2.15 -0.14 0.00 -1.74 0.00 0.00 68.15 68.43 2dkw h THR 99 CO -0.03 0.42 0.48 0.25 0.37 0.00 0.00 175.52 177.01 2dkw h LEU 100 N -0.18 0.43 0.08 2.58 5.85 -1.02 0.17 115.31 123.22 2dkw h LEU 100 Ca 0.00 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2dkw h LEU 100 Cb 0.77 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2dkw h LEU 100 CO 0.04 -0.06 -0.04 0.50 -0.34 0.00 0.00 178.44 178.54 2dkw h LYS 101 N 0.38 -0.11 -0.74 1.25 3.64 -1.53 -1.48 116.57 117.98 2dkw h LYS 101 Ca 0.65 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 60.25 2dkw h LYS 101 Cb 1.36 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 2dkw h LYS 101 CO -0.57 -0.07 0.70 0.22 -2.27 0.00 0.00 179.45 177.45 2dkw h ASP 102 N -0.12 0.00 0.13 4.20 3.58 -1.43 0.10 116.42 122.88 2dkw h ASP 102 Ca -0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2dkw h ASP 102 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2dkw h ASP 102 CO 0.02 0.00 -0.06 0.74 -2.88 0.00 0.00 179.24 177.05 2dkw h THR 103 N 0.00 1.03 0.80 2.25 2.02 -0.46 -2.29 112.91 116.26 2dkw h THR 103 Ca 0.35 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 2dkw h THR 103 Cb 1.74 1.59 0.01 0.00 -1.74 0.00 0.00 68.15 69.75 2dkw h THR 103 CO -0.00 0.21 -0.38 0.00 0.37 0.00 0.00 175.52 175.72 2dkw h ALA 104 N 0.11 -1.07 0.00 6.16 0.00 0.08 -0.00 119.26 124.53 2dkw h ALA 104 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2dkw h ALA 104 Cb 0.49 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dkw h ALA 104 CO 0.03 -1.03 0.29 0.45 0.00 0.00 0.00 179.25 179.00 2dkw h HIS 105 N -1.22 0.00 0.00 0.00 -0.00 -1.44 -1.61 115.15 110.88 2dkw h HIS 105 Ca -0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.18 2dkw h HIS 105 Cb 0.83 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.23 2dkw h HIS 105 CO -0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 177.93 177.39 2dkw h ALA 106 N 1.38 0.09 -0.91 2.45 0.00 -0.95 -3.12 119.26 118.20 2dkw h ALA 106 Ca 0.00 -0.65 0.16 0.00 0.00 0.00 0.00 54.91 54.42 2dkw h ALA 106 Cb 0.59 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 2dkw h ALA 106 CO 0.00 0.35 0.50 0.82 0.00 0.00 0.00 179.25 180.93 2dkw h ILE 107 N -1.00 0.74 0.18 0.00 2.04 -0.10 0.85 117.51 120.23 2dkw h ILE 107 Ca -0.12 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2dkw h ILE 107 Cb 0.80 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2dkw h ILE 107 CO -0.07 0.13 -0.09 0.40 0.00 0.00 0.00 178.15 178.52 2dkw h ILE 108 N 0.70 0.92 -0.72 -0.67 1.08 -1.53 0.62 117.51 117.91 2dkw h ILE 108 Ca 0.50 -0.55 0.07 0.00 -0.39 0.00 0.00 64.86 64.50 2dkw h ILE 108 Cb 0.70 1.24 -0.06 0.00 -3.07 0.00 0.00 36.82 35.64 2dkw h ILE 108 CO -0.36 0.12 0.40 0.00 -0.69 0.00 0.00 178.15 177.62 2dkw h ALA 109 N 0.24 0.99 0.10 1.87 0.00 -1.32 1.20 119.26 122.35 2dkw h ALA 109 Ca -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2dkw h ALA 109 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2dkw h ALA 109 CO 0.04 0.05 -0.05 0.00 0.00 0.00 0.00 179.25 179.29 2dkw h ALA 110 N 1.39 -0.14 0.01 0.00 0.00 -0.80 -3.38 119.26 116.34 2dkw h ALA 110 Ca 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2dkw h ALA 110 Cb 0.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2dkw h ALA 110 CO -0.22 -0.41 -0.00 0.93 0.00 0.00 0.00 179.25 179.55 2dkw h GLU 111 N -0.48 -0.01 -6.27 0.00 5.08 -0.56 -3.44 114.58 108.90 2dkw h GLU 111 Ca -0.01 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.69 2dkw h GLU 111 Cb 0.40 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.68 2dkw h GLU 111 CO 0.02 -0.01 0.90 -0.11 -1.00 0.00 0.00 179.01 178.81 2dkw n LEU 112 N -2.06 2.79 -4.91 1.33 7.94 0.41 -4.95 117.00 117.55 2dkw n LEU 112 Ca -0.00 1.04 -0.27 0.00 -1.11 0.00 0.00 56.01 55.67 2dkw n LEU 112 Cb 0.00 -1.28 -0.01 0.00 0.53 0.00 0.00 43.42 42.67 2dkw n LEU 112 CO 0.00 -0.36 0.38 -1.81 -1.11 0.00 0.00 177.39 174.50 2dkw s ASP 113 N 2.90 6.30 0.31 1.96 1.01 -1.26 -4.56 116.67 123.33 2dkw s ASP 113 Ca 0.91 0.84 0.25 0.00 0.71 0.00 0.00 52.55 55.27 2dkw s ASP 113 Cb -0.85 -2.21 1.06 0.00 1.01 0.00 0.00 42.92 41.93 2dkw s ASP 113 CO 0.53 -0.49 1.76 1.55 0.21 0.00 0.00 175.17 178.73 2dkw h PRO 114 N 0.48 0.00 0.06 8.23 0.13 -1.92 -2.71 132.00 136.27 2dkw h PRO 114 Ca -0.47 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 2dkw h PRO 114 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2dkw h PRO 114 CO 0.62 0.00 -1.88 0.39 -0.23 0.00 0.00 178.00 176.90 2dkw n GLU 115 N -2.39 0.67 -0.09 0.86 1.02 -1.26 -3.88 120.64 115.58 2dkw n GLU 115 Ca 0.02 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 2dkw n GLU 115 Cb 0.24 -1.68 0.29 0.00 -0.02 0.00 0.00 31.44 30.26 2dkw n GLU 115 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2dkw h PHE 116 N -0.35 0.72 0.18 -0.32 3.57 -1.95 -2.86 116.94 115.94 2dkw h PHE 116 Ca -0.45 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 2dkw h PHE 116 Cb 1.76 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.28 2dkw h PHE 116 CO 0.06 0.55 -0.09 -0.97 -2.23 0.00 0.00 178.31 175.63 2dkw h ASN 117 N 0.73 -0.21 -0.82 0.41 -1.24 -1.66 -1.15 115.58 111.64 2dkw h ASN 117 Ca 0.18 -0.07 0.18 0.00 0.71 0.00 0.00 56.30 57.31 2dkw h ASN 117 Cb 0.11 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.16 2dkw h ASN 117 CO -0.02 -0.06 0.55 0.11 -1.29 0.00 0.00 177.43 176.72 2dkw h LYS 118 N -0.34 0.33 0.00 6.67 1.57 -1.62 0.39 116.57 123.57 2dkw h LYS 118 Ca -0.03 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2dkw h LYS 118 Cb 0.26 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2dkw h LYS 118 CO 0.04 0.22 -0.39 -0.07 -0.57 0.00 0.00 179.45 178.68 2dkw h LEU 119 N 0.34 0.00 0.03 2.94 3.38 -1.25 -2.48 115.31 118.28 2dkw h LEU 119 Ca 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 2dkw h LEU 119 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2dkw h LEU 119 CO -0.13 0.39 -0.02 0.00 0.09 0.00 0.00 178.44 178.78 2dkw h GLU 121 N -0.82 1.00 0.00 0.00 4.11 -1.29 -2.25 114.58 115.32 2dkw h GLU 121 Ca -0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.36 59.12 2dkw h GLU 121 Cb 0.69 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2dkw h GLU 121 CO 0.01 0.98 0.14 0.39 0.07 0.00 0.00 179.01 180.60 2dkw n GLU 122 N -4.19 0.08 -0.06 1.06 1.02 -0.93 -0.37 120.64 117.25 2dkw n GLU 122 Ca 0.03 0.55 -0.12 0.00 -0.02 0.00 0.00 57.16 57.60 2dkw n GLU 122 Cb 0.34 -1.92 -0.15 0.00 -0.02 0.00 0.00 31.44 29.69 2dkw n GLU 122 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2dkw n ILE 123 N -1.95 1.53 -0.00 -3.67 5.41 -0.85 -3.29 119.36 116.54 2dkw n ILE 123 Ca -0.01 -0.78 0.16 0.00 1.00 0.00 0.00 62.75 63.13 2dkw n ILE 123 Cb 0.16 -0.95 0.62 0.00 -0.71 0.00 0.00 39.64 38.76 2dkw n ILE 123 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 2dkw h LYS 124 N 0.01 0.14 0.03 0.38 2.10 -0.66 0.93 116.57 119.49 2dkw h LYS 124 Ca -0.44 -0.01 -0.28 0.00 -2.00 0.00 0.00 60.65 57.92 2dkw h LYS 124 Cb 2.09 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 33.36 2dkw h LYS 124 CO 0.04 0.09 -1.52 -0.85 -2.00 0.00 0.00 179.45 175.21 2dkw n GLU 125 N -4.43 0.61 -0.12 0.07 0.28 -1.20 -3.98 120.64 111.87 2dkw n GLU 125 Ca 0.08 0.49 -0.05 0.00 -0.16 0.00 0.00 57.16 57.53 2dkw n GLU 125 Cb 0.47 -1.72 0.03 0.00 1.43 0.00 0.00 31.44 31.65 2dkw n GLU 125 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 2dkw h SER 126 N -0.77 -0.13 0.00 -1.84 0.02 -1.48 -3.35 113.55 106.00 2dkw h SER 126 Ca -0.39 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2dkw h SER 126 Cb 1.48 0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2dkw h SER 126 CO -0.17 -0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.11 2dkw n GLY 127 N -1.27 -2.13 3.55 -3.77 0.00 0.30 -4.47 105.19 97.40 2dkw n GLY 127 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 2.60 -0.37 1.61 0.04 -1.26 -4.90 135.00 132.71 2dkw s PRO 128 Ca 0.00 0.27 -0.38 0.00 0.04 0.00 0.00 61.00 60.93 2dkw s PRO 128 Cb 0.00 -4.65 -0.14 0.00 0.04 0.00 0.00 34.50 29.76 2dkw s PRO 128 CO 0.00 -2.98 2.11 0.43 0.04 0.00 0.00 177.00 176.60 2dkw n SER 129 N 13.23 1.84 -2.47 6.66 7.64 -1.26 -4.71 113.62 134.54 2dkw n SER 129 Ca 0.28 0.58 -0.36 0.00 1.01 0.00 0.00 58.87 60.38 2dkw n SER 129 Cb 0.50 -1.16 0.07 0.00 -1.01 0.00 0.00 64.21 62.61 2dkw n SER 129 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dkw n SER 130 N 8.62 7.63 0.00 6.43 2.88 -1.26 -5.16 113.62 132.76 2dkw n SER 130 Ca 0.42 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 54.18 2dkw n SER 130 Cb 0.15 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2dkw n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42