#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 1.88 0.28 1.61 0.01 -1.26 -5.16 113.70 111.06 2dkw s SER 2 Ca 0.00 -0.86 0.06 0.00 1.31 0.00 0.00 55.95 56.46 2dkw s SER 2 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 2dkw s SER 2 CO 0.00 -0.20 0.38 -0.44 0.41 0.00 0.00 173.24 173.39 2dkw s SER 3 N -2.63 6.11 -0.74 2.44 0.01 -1.26 -5.03 113.70 112.60 2dkw s SER 3 Ca 0.10 -0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.29 2dkw s SER 3 Cb -0.03 -1.58 0.39 0.00 0.21 0.00 0.00 66.02 65.01 2dkw s SER 3 CO 0.02 -0.20 1.92 0.61 0.41 0.00 0.00 173.24 176.00 2dkw n GLY 4 N -1.47 5.71 3.48 3.44 0.00 -1.26 -4.97 105.19 110.11 2dkw n GLY 4 Ca -0.06 -2.46 -0.23 0.00 0.00 0.00 0.00 46.02 43.27 2dkw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkw s SER 5 N -1.62 3.27 0.79 1.61 0.01 -1.26 -5.15 113.70 111.35 2dkw s SER 5 Ca 0.55 -1.16 -0.11 0.00 1.31 0.00 0.00 55.95 56.54 2dkw s SER 5 Cb 0.46 -0.26 0.08 0.00 0.21 0.00 0.00 66.02 66.51 2dkw s SER 5 CO -0.26 -0.23 1.15 -0.94 0.41 0.00 0.00 173.24 173.37 2dkw s SER 6 N -3.52 4.48 0.00 2.44 1.04 -1.26 -4.29 113.70 112.60 2dkw s SER 6 Ca 0.30 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2dkw s SER 6 Cb 0.02 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.99 2dkw s SER 6 CO 0.14 -1.89 0.00 0.61 0.98 0.00 0.00 173.24 173.08 2dkw n GLY 7 N -3.25 0.96 0.36 7.32 0.00 -1.26 -4.57 105.19 104.75 2dkw n GLY 7 Ca 0.09 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.63 2dkw n GLY 7 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2dkw h ASN 8 N 0.00 0.81 -0.30 1.61 7.08 -2.01 0.24 115.58 123.02 2dkw h ASN 8 Ca 0.00 0.08 0.07 0.00 -3.08 0.00 0.00 56.30 53.37 2dkw h ASN 8 Cb 0.00 -0.07 -0.01 0.00 -2.08 0.00 0.00 38.32 36.16 2dkw h ASN 8 CO 0.00 0.33 0.21 0.74 -2.08 0.00 0.00 177.43 176.63 2dkw h THR 9 N 0.81 0.90 0.16 6.14 2.02 -1.81 -1.81 112.91 119.33 2dkw h THR 9 Ca 0.55 -0.04 -0.31 0.00 0.77 0.00 0.00 66.41 67.39 2dkw h THR 9 Cb 0.80 0.79 0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2dkw h THR 9 CO -0.34 0.02 -1.51 -0.07 0.37 0.00 0.00 175.52 173.99 2dkw h LEU 10 N 0.10 0.52 -0.66 2.58 3.38 -0.93 -3.33 115.31 116.98 2dkw h LEU 10 Ca 0.14 -0.66 0.09 0.00 0.09 0.00 0.00 57.88 57.53 2dkw h LEU 10 Cb 0.41 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 40.88 2dkw h LEU 10 CO -0.01 1.54 -0.47 -0.09 0.09 0.00 0.00 178.44 179.50 2dkw h ARG 11 N 0.09 -0.19 -0.11 1.13 9.65 -0.39 0.86 114.38 125.42 2dkw h ARG 11 Ca -0.24 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.68 2dkw h ARG 11 Cb 2.05 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 30.67 2dkw h ARG 11 CO 0.20 -0.13 0.09 0.93 2.80 0.00 0.00 179.97 183.86 2dkw h GLU 12 N -0.20 0.00 -0.03 0.20 3.07 -1.70 -2.26 114.58 113.66 2dkw h GLU 12 Ca 0.18 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.99 2dkw h GLU 12 Cb 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 2dkw h GLU 12 CO -0.74 0.00 -0.17 1.25 -1.40 0.00 0.00 179.01 177.95 2dkw h LEU 13 N 0.00 0.20 -0.47 1.33 5.85 0.43 -1.21 115.31 121.44 2dkw h LEU 13 Ca 0.05 -0.66 0.09 0.00 0.84 0.00 0.00 57.88 58.20 2dkw h LEU 13 Cb 0.23 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 2dkw h LEU 13 CO -0.00 0.83 -0.29 -0.09 -0.34 0.00 0.00 178.44 178.56 2dkw h ARG 14 N -0.41 -0.18 -0.06 1.25 2.43 0.13 -0.60 114.38 116.95 2dkw h ARG 14 Ca -0.01 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2dkw h ARG 14 Cb 0.83 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2dkw h ARG 14 CO 0.03 -0.12 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.27 2dkw h LEU 15 N -0.18 0.13 -0.72 3.80 3.38 -1.61 -2.71 115.31 117.39 2dkw h LEU 15 Ca 0.21 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.80 2dkw h LEU 15 Cb 0.52 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 2dkw h LEU 15 CO -0.57 0.56 -0.54 0.15 0.09 0.00 0.00 178.44 178.12 2dkw h PHE 16 N -0.29 -1.68 0.49 1.13 3.57 -0.59 0.19 116.94 119.76 2dkw h PHE 16 Ca 0.01 0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2dkw h PHE 16 Cb 0.51 0.83 -0.00 0.00 2.79 0.00 0.00 35.95 40.08 2dkw h PHE 16 CO 0.08 -0.43 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.35 2dkw h LEU 17 N -0.18 -0.80 -0.96 0.59 3.38 -1.20 -2.30 115.31 113.83 2dkw h LEU 17 Ca 0.14 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.30 2dkw h LEU 17 Cb 0.52 0.24 -0.15 0.00 0.09 0.00 0.00 40.66 41.36 2dkw h LEU 17 CO -0.78 -0.48 -0.42 -1.14 0.09 0.00 0.00 178.44 175.72 2dkw n ARG 18 N -4.32 -0.27 -0.18 1.13 0.63 -0.95 0.43 116.66 113.12 2dkw n ARG 18 Ca -0.09 1.48 -0.01 0.00 -0.92 0.00 0.00 57.85 58.31 2dkw n ARG 18 Cb 0.32 -2.19 0.08 0.00 0.45 0.00 0.00 32.46 31.12 2dkw n ARG 18 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2dkw h ASP 19 N 0.00 -0.27 -0.01 6.15 1.82 -0.54 0.13 116.42 123.70 2dkw h ASP 19 Ca 0.30 0.14 0.02 0.00 -0.39 0.00 0.00 57.03 57.09 2dkw h ASP 19 Cb 0.54 0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.78 2dkw h ASP 19 CO -0.95 -0.10 -0.08 0.58 -1.61 0.00 0.00 179.24 177.08 2dkw h VAL 20 N 0.11 0.79 0.75 2.25 2.07 0.56 -2.30 116.25 120.47 2dkw h VAL 20 Ca 0.29 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 2dkw h VAL 20 Cb 0.46 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2dkw h VAL 20 CO -0.49 0.00 -0.44 0.74 0.02 0.00 0.00 177.57 177.40 2dkw h THR 21 N -0.14 0.11 -0.81 2.57 2.02 -0.20 -2.94 112.91 113.52 2dkw h THR 21 Ca 0.04 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.29 2dkw h THR 21 Cb 0.18 0.11 -0.11 0.00 -1.74 0.00 0.00 68.15 66.60 2dkw h THR 21 CO -0.09 0.00 -0.55 0.11 0.37 0.00 0.00 175.52 175.35 2dkw h LYS 22 N -1.11 -0.09 -0.96 6.66 1.57 -0.72 0.48 116.57 122.40 2dkw h LYS 22 Ca -0.10 0.01 0.31 0.00 -1.87 0.00 0.00 60.65 59.00 2dkw h LYS 22 Cb 0.89 0.02 -0.16 0.00 0.08 0.00 0.00 32.23 33.06 2dkw h LYS 22 CO 0.11 -0.06 0.35 -0.09 -0.57 0.00 0.00 179.45 179.19 2dkw h ARG 23 N -0.09 0.15 0.48 3.15 9.65 -1.36 0.28 114.38 126.63 2dkw h ARG 23 Ca 0.13 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.98 2dkw h ARG 23 Cb 0.43 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 2dkw h ARG 23 CO -0.81 0.10 -0.23 -0.07 2.80 0.00 0.00 179.97 181.75 2dkw h LEU 24 N 0.15 -0.54 -0.16 3.80 3.38 0.05 -2.51 115.31 119.48 2dkw h LEU 24 Ca 0.68 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.63 2dkw h LEU 24 Cb 1.54 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.37 2dkw h LEU 24 CO -0.72 -0.14 -0.35 0.00 0.09 0.00 0.00 178.44 177.31 2dkw h ALA 25 N -0.81 -0.41 -0.01 1.53 0.00 0.62 0.24 119.26 120.41 2dkw h ALA 25 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dkw h ALA 25 Cb 0.58 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2dkw h ALA 25 CO 0.11 -0.83 0.15 1.79 0.00 0.00 0.00 179.25 180.47 2dkw h THR 26 N -0.41 0.03 -3.01 0.00 1.35 -0.61 -3.39 112.91 106.87 2dkw h THR 26 Ca 0.10 0.00 -0.56 0.00 -0.55 0.00 0.00 66.41 65.40 2dkw h THR 26 Cb 0.57 0.85 -0.05 0.00 -1.73 0.00 0.00 68.15 67.79 2dkw h THR 26 CO -0.39 0.00 1.12 -0.62 -0.25 0.00 0.00 175.52 175.39 2dkw s ASP 27 N -4.89 6.16 0.64 5.36 -1.08 0.83 -4.84 116.67 118.85 2dkw s ASP 27 Ca -0.04 0.73 0.18 0.00 -0.52 0.00 0.00 52.55 52.90 2dkw s ASP 27 Cb 0.11 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.92 2dkw s ASP 27 CO 0.36 -1.60 1.47 0.11 0.52 0.00 0.00 175.17 176.04 2dkw h LYS 28 N 11.35 0.00 -0.45 4.34 1.57 -1.82 0.63 116.57 132.19 2dkw h LYS 28 Ca -0.28 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 2dkw h LYS 28 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2dkw h LYS 28 CO 1.11 0.00 -0.11 0.00 -0.57 0.00 0.00 179.45 179.88 2dkw h ARG 29 N 0.00 0.87 -1.39 3.15 2.47 -1.88 -3.21 114.38 114.39 2dkw h ARG 29 Ca 0.11 -0.33 -0.64 0.00 -1.26 0.00 0.00 59.98 57.86 2dkw h ARG 29 Cb 1.61 -0.05 -0.37 0.00 -1.65 0.00 0.00 29.97 29.51 2dkw h ARG 29 CO -0.00 0.98 -0.11 1.19 0.56 0.00 0.00 179.97 182.58 2dkw n PHE 30 N -4.26 3.14 -0.03 3.04 3.72 0.22 -4.64 117.46 118.65 2dkw n PHE 30 Ca -0.00 -2.72 -0.13 0.00 -0.05 0.00 0.00 57.45 54.55 2dkw n PHE 30 Cb 0.38 -0.58 -0.14 0.00 -0.94 0.00 0.00 39.48 38.20 2dkw n PHE 30 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2dkw n ASN 31 N -0.60 1.27 0.08 4.37 4.13 -1.10 -3.96 115.26 119.44 2dkw n ASN 31 Ca 0.47 0.27 0.05 0.00 1.68 0.00 0.00 54.58 57.05 2dkw n ASN 31 Cb 0.63 -0.24 0.27 0.00 -1.54 0.00 0.00 39.78 38.89 2dkw n ASN 31 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2dkw n ILE 32 N -3.17 1.50 -0.03 2.41 -6.64 -1.26 -1.06 119.36 111.11 2dkw n ILE 32 Ca -0.25 0.61 -0.15 0.00 -1.77 0.00 0.00 62.75 61.19 2dkw n ILE 32 Cb 1.06 -1.61 -0.14 0.00 -1.44 0.00 0.00 39.64 37.51 2dkw n ILE 32 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 2dkw n PHE 33 N -1.84 0.90 -0.32 4.28 3.72 -1.25 -4.17 117.46 118.77 2dkw n PHE 33 Ca -0.01 0.25 0.20 0.00 -0.05 0.00 0.00 57.45 57.84 2dkw n PHE 33 Cb 0.04 -1.14 0.46 0.00 -0.94 0.00 0.00 39.48 37.90 2dkw n PHE 33 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2dkw h SER 34 N 0.03 0.53 -2.72 4.37 0.87 -1.24 -3.36 113.55 112.02 2dkw h SER 34 Ca -0.40 0.08 -0.48 0.00 -1.23 0.00 0.00 61.79 59.76 2dkw h SER 34 Cb 2.04 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 2dkw h SER 34 CO 0.06 0.14 -0.25 -0.54 -0.53 0.00 0.00 176.83 175.71 2dkw s LYS 35 N -5.57 3.49 -0.65 2.24 3.01 -1.24 -4.36 119.74 116.66 2dkw s LYS 35 Ca -0.09 -0.39 -0.26 0.00 -1.01 0.00 0.00 55.97 54.21 2dkw s LYS 35 Cb 0.25 -2.72 -0.02 0.00 -1.01 0.00 0.00 37.83 34.32 2dkw s LYS 35 CO 0.80 0.23 1.87 -1.25 0.51 0.00 0.00 175.35 177.51 2dkw s PRO 36 N -4.09 2.62 -1.14 -1.68 0.04 -1.26 -4.87 135.00 124.61 2dkw s PRO 36 Ca 0.39 0.50 -0.07 0.00 0.04 0.00 0.00 61.00 61.85 2dkw s PRO 36 Cb -0.10 -4.47 -0.07 0.00 0.04 0.00 0.00 34.50 29.90 2dkw s PRO 36 CO 0.34 -2.81 2.49 1.33 0.04 0.00 0.00 177.00 178.38 2dkw n VAL 37 N 7.29 3.17 -3.68 -0.36 0.24 -1.26 -4.78 118.33 118.94 2dkw n VAL 37 Ca 0.23 -1.87 -0.11 0.00 -2.04 0.00 0.00 64.34 60.54 2dkw n VAL 37 Cb 0.51 -2.31 -0.06 0.00 -1.47 0.00 0.00 33.84 30.52 2dkw n VAL 37 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dkw s SER 38 N 2.86 -0.21 0.06 -1.34 0.15 -1.26 -4.82 113.70 109.13 2dkw s SER 38 Ca 0.52 -0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.72 2dkw s SER 38 Cb 0.14 0.43 -0.17 0.00 -1.71 0.00 0.00 66.02 64.71 2dkw s SER 38 CO -0.04 -0.73 1.60 -0.78 1.20 0.00 0.00 173.24 174.48 2dkw h ASP 39 N 2.78 -0.11 -4.12 5.45 3.58 -1.93 -3.46 116.42 118.61 2dkw h ASP 39 Ca -0.33 -0.11 -0.38 0.00 0.42 0.00 0.00 57.03 56.64 2dkw h ASP 39 Cb 1.22 0.03 -0.08 0.00 1.72 0.00 0.00 39.33 42.22 2dkw h ASP 39 CO 0.46 0.04 -0.32 0.00 -2.88 0.00 0.00 179.24 176.54 2dkw n TYR 40 N -5.09 0.05 -0.08 0.28 9.36 -1.26 -5.08 117.16 115.34 2dkw n TYR 40 Ca -0.08 -1.80 -0.11 0.00 3.32 0.00 0.00 57.90 59.23 2dkw n TYR 40 Cb 0.13 0.01 -0.08 0.00 -0.63 0.00 0.00 39.34 38.76 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 2.52 0.00 2.98 -0.00 -1.26 -4.42 117.00 116.82 2dkw n LEU 41 Ca -0.03 -0.08 0.09 0.00 -0.00 0.00 0.00 56.01 55.99 2dkw n LEU 41 Cb 0.42 -0.45 0.46 0.00 -0.00 0.00 0.00 43.42 43.85 2dkw n LEU 41 CO 0.22 0.71 0.78 -0.62 -0.00 0.00 0.00 177.39 178.48 2dkw n GLU 42 N -2.91 0.24 -0.07 1.47 1.02 -1.26 -2.11 120.64 117.02 2dkw n GLU 42 Ca -0.29 0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.09 2dkw n GLU 42 Cb 0.84 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 31.12 2dkw n GLU 42 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2dkw n VAL 43 N -1.30 0.17 -5.15 2.62 3.14 -1.26 -4.84 118.33 111.71 2dkw n VAL 43 Ca 0.08 -0.39 -0.32 0.00 -2.96 0.00 0.00 64.34 60.75 2dkw n VAL 43 Cb 0.15 0.62 -0.16 0.00 -1.06 0.00 0.00 33.84 33.38 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 -1.83 2.24 -0.04 1.55 1.01 -0.90 -5.05 121.20 118.18 2dkw s ILE 44 Ca 0.34 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 2dkw s ILE 44 Cb 0.19 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 2dkw s ILE 44 CO 0.29 0.56 0.28 0.11 0.00 0.00 0.00 174.94 176.18 2dkw h LYS 45 N 6.59 -0.17 -2.61 2.79 6.56 -1.88 -3.40 116.57 124.45 2dkw h LYS 45 Ca -0.22 0.01 -0.69 0.00 -1.06 0.00 0.00 60.65 58.69 2dkw h LYS 45 Cb 1.23 0.04 -0.36 0.00 -0.57 0.00 0.00 32.23 32.57 2dkw h LYS 45 CO 0.48 -0.11 -0.01 0.39 -2.06 0.00 0.00 179.45 178.14 2dkw n GLU 46 N -3.92 3.29 -2.25 3.15 -0.58 -1.26 -5.06 120.64 114.00 2dkw n GLU 46 Ca -0.02 -4.61 -0.41 0.00 -0.42 0.00 0.00 57.16 51.70 2dkw n GLU 46 Cb 0.07 -2.37 -0.03 0.00 -0.57 0.00 0.00 31.44 28.54 2dkw n GLU 46 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2dkw s PRO 47 N -2.47 4.46 -0.02 3.49 0.04 -1.26 -5.05 135.00 134.20 2dkw s PRO 47 Ca 0.35 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.41 2dkw s PRO 47 Cb 0.08 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2dkw s PRO 47 CO 0.02 -0.04 0.09 1.41 0.04 0.00 0.00 177.00 178.52 2dkw s MET 48 N -1.61 0.22 -0.05 4.56 1.75 -1.26 -5.13 119.30 117.78 2dkw s MET 48 Ca 0.47 -0.07 -0.14 0.00 -1.25 0.00 0.00 55.69 54.71 2dkw s MET 48 Cb -0.37 0.10 0.03 0.00 2.84 0.00 0.00 34.83 37.42 2dkw s MET 48 CO 0.48 -0.04 0.32 0.16 -0.65 0.00 0.00 175.02 175.29 2dkw s ASP 49 N -0.45 -0.25 0.46 1.11 1.47 -1.26 -4.90 116.67 112.85 2dkw s ASP 49 Ca -0.05 0.29 0.18 0.00 1.18 0.00 0.00 52.55 54.15 2dkw s ASP 49 Cb -0.03 0.44 0.98 0.00 -0.34 0.00 0.00 42.92 43.97 2dkw s ASP 49 CO 0.00 -0.34 1.49 -0.07 0.68 0.00 0.00 175.17 176.93 2dkw h LEU 50 N 4.46 0.00 0.19 2.11 3.38 -1.78 -1.96 115.31 121.70 2dkw h LEU 50 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2dkw h LEU 50 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2dkw h LEU 50 CO 0.36 0.00 -0.09 0.28 0.09 0.00 0.00 178.44 179.08 2dkw h SER 51 N 0.00 -0.21 -0.94 -0.43 0.02 -1.89 -3.06 113.55 107.03 2dkw h SER 51 Ca 0.00 0.01 0.27 0.00 -0.84 0.00 0.00 61.79 61.22 2dkw h SER 51 Cb 0.70 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 2dkw h SER 51 CO 0.00 0.09 0.67 0.00 -1.14 0.00 0.00 176.83 176.45 2dkw h THR 52 N -0.73 0.54 0.67 -2.27 1.03 -1.74 -1.53 112.91 108.88 2dkw h THR 52 Ca -0.03 -0.02 -0.03 0.00 -0.01 0.00 0.00 66.41 66.32 2dkw h THR 52 Cb 0.19 0.48 0.01 0.00 -1.07 0.00 0.00 68.15 67.76 2dkw h THR 52 CO 0.04 0.01 -0.32 0.58 -0.01 0.00 0.00 175.52 175.82 2dkw h VAL 53 N 0.05 0.24 -1.00 0.00 2.07 -1.56 0.14 116.25 116.19 2dkw h VAL 53 Ca 0.46 -0.21 0.16 0.00 0.82 0.00 0.00 66.70 67.93 2dkw h VAL 53 Cb 1.73 0.30 -0.10 0.00 -1.52 0.00 0.00 31.29 31.70 2dkw h VAL 53 CO -0.03 0.02 0.62 0.40 0.02 0.00 0.00 177.57 178.60 2dkw h ILE 54 N -1.06 0.79 -0.27 4.57 2.04 -1.18 -0.87 117.51 121.53 2dkw h ILE 54 Ca -0.09 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 2dkw h ILE 54 Cb 0.72 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2dkw h ILE 54 CO 0.15 0.16 -0.09 0.74 0.00 0.00 0.00 178.15 179.11 2dkw h THR 55 N 0.85 1.29 -0.50 -0.27 2.02 -1.34 -2.96 112.91 112.00 2dkw h THR 55 Ca 0.55 -1.13 0.02 0.00 0.77 0.00 0.00 66.41 66.62 2dkw h THR 55 Cb 0.74 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 2dkw h THR 55 CO -0.34 0.36 0.33 0.11 0.37 0.00 0.00 175.52 176.35 2dkw h LYS 56 N 0.27 0.60 -0.42 6.66 1.57 0.22 0.43 116.57 125.90 2dkw h LYS 56 Ca 0.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2dkw h LYS 56 Cb 0.57 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2dkw h LYS 56 CO 0.03 0.40 0.18 0.82 -0.57 0.00 0.00 179.45 180.30 2dkw h ILE 57 N 0.62 1.19 0.00 1.86 2.04 -1.06 -1.02 117.51 121.15 2dkw h ILE 57 Ca 0.19 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 2dkw h ILE 57 Cb 0.02 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2dkw h ILE 57 CO -0.05 0.22 -0.10 -0.78 0.00 0.00 0.00 178.15 177.43 2dkw h ASP 58 N 0.53 0.00 -0.01 1.72 1.82 -1.27 -2.94 116.42 116.27 2dkw h ASP 58 Ca 0.14 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2dkw h ASP 58 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2dkw h ASP 58 CO -0.01 0.10 0.00 0.29 -1.61 0.00 0.00 179.24 178.01 2dkw n LYS 59 N -3.15 1.14 -2.62 0.28 4.76 0.09 -4.91 118.16 113.75 2dkw n LYS 59 Ca 0.02 -0.21 -0.09 0.00 -2.87 0.00 0.00 58.31 55.17 2dkw n LYS 59 Cb 0.50 -1.42 0.04 0.00 -1.84 0.00 0.00 35.03 32.31 2dkw n LYS 59 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2dkw n HIS 60 N -0.69 -1.25 -0.06 2.13 8.25 -1.04 -5.00 115.22 117.56 2dkw n HIS 60 Ca 0.20 0.49 -0.10 0.00 -0.26 0.00 0.00 57.72 58.04 2dkw n HIS 60 Cb 0.14 -3.53 -0.03 0.00 1.12 0.00 0.00 29.99 27.69 2dkw n HIS 60 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2dkw n ASN 61 N -2.28 1.62 -4.59 0.41 3.02 -0.42 -4.91 115.26 108.10 2dkw n ASN 61 Ca -0.10 0.27 -0.43 0.00 -0.03 0.00 0.00 54.58 54.29 2dkw n ASN 61 Cb 0.58 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 2dkw n ASN 61 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2dkw s TYR 62 N -2.57 2.43 -0.47 3.10 2.02 -1.26 -4.83 117.35 115.78 2dkw s TYR 62 Ca -0.22 0.64 0.21 0.00 -0.37 0.00 0.00 57.07 57.32 2dkw s TYR 62 Cb 0.05 -4.35 -0.28 0.00 -0.40 0.00 0.00 41.96 36.97 2dkw s TYR 62 CO 0.32 -1.87 0.66 1.47 -1.57 0.00 0.00 175.55 174.56 2dkw n LEU 63 N 8.85 0.46 -4.49 -1.29 -0.00 -1.26 -4.76 117.00 114.50 2dkw n LEU 63 Ca 0.15 -0.23 -0.23 0.00 -0.00 0.00 0.00 56.01 55.69 2dkw n LEU 63 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.80 2dkw n LEU 63 CO 0.71 0.11 -0.27 0.42 -0.00 0.00 0.00 177.39 178.36 2dkw s THR 64 N -3.25 1.31 0.01 1.47 -4.23 -1.26 -4.60 115.64 105.09 2dkw s THR 64 Ca -0.01 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.61 2dkw s THR 64 Cb 0.15 -2.79 -0.16 0.00 1.34 0.00 0.00 72.50 71.03 2dkw s THR 64 CO 0.88 0.00 1.12 0.00 -0.54 0.00 0.00 174.62 176.08 2dkw h ALA 65 N 2.01 0.53 -0.03 3.99 0.00 -1.93 -3.33 119.26 120.51 2dkw h ALA 65 Ca -0.41 -0.96 -0.23 0.00 0.00 0.00 0.00 54.91 53.31 2dkw h ALA 65 Cb 1.25 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.09 2dkw h ALA 65 CO 0.71 1.19 -0.92 0.87 0.00 0.00 0.00 179.25 181.10 2dkw h LYS 66 N 0.00 0.54 0.00 0.00 6.56 -1.97 -2.68 116.57 119.02 2dkw h LYS 66 Ca -0.09 -0.54 0.00 0.00 -1.06 0.00 0.00 60.65 58.96 2dkw h LYS 66 Cb 1.74 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 33.55 2dkw h LYS 66 CO 0.10 1.17 0.00 -3.47 -2.06 0.00 0.00 179.45 175.19 2dkw n ASP 67 N -3.81 0.36 -0.12 0.86 2.03 -1.25 -1.78 116.55 112.84 2dkw n ASP 67 Ca -0.08 0.62 -0.24 0.00 0.52 0.00 0.00 54.79 55.61 2dkw n ASP 67 Cb 0.82 -0.69 -0.10 0.00 -0.72 0.00 0.00 41.12 40.44 2dkw n ASP 67 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2dkw n PHE 68 N -1.93 0.47 0.17 -0.67 7.35 -1.15 -4.10 117.46 117.60 2dkw n PHE 68 Ca 0.01 0.20 0.08 0.00 -0.76 0.00 0.00 57.45 56.99 2dkw n PHE 68 Cb 0.12 -1.00 0.59 0.00 0.35 0.00 0.00 39.48 39.54 2dkw n PHE 68 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dkw h LEU 69 N -1.00 0.12 -1.10 -2.13 3.38 -1.34 -1.15 115.31 112.08 2dkw h LEU 69 Ca -0.49 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 2dkw h LEU 69 Cb 1.40 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2dkw h LEU 69 CO -0.29 0.09 -0.07 0.07 0.09 0.00 0.00 178.44 178.32 2dkw h LYS 70 N 0.14 0.55 -0.07 1.13 2.10 -1.54 -2.55 116.57 116.33 2dkw h LYS 70 Ca 0.07 -0.14 -0.17 0.00 -2.00 0.00 0.00 60.65 58.40 2dkw h LYS 70 Cb 0.09 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2dkw h LYS 70 CO -0.01 0.63 -0.70 -0.44 -2.00 0.00 0.00 179.45 176.93 2dkw h ASP 71 N 0.52 0.39 -0.05 7.07 5.19 -1.37 -2.99 116.42 125.18 2dkw h ASP 71 Ca 0.10 -0.25 -0.08 0.00 -0.62 0.00 0.00 57.03 56.18 2dkw h ASP 71 Cb 0.44 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 2dkw h ASP 71 CO 0.02 0.97 -0.18 0.40 -3.12 0.00 0.00 179.24 177.33 2dkw h ILE 72 N 0.23 1.23 -0.32 0.35 1.08 -1.11 -2.91 117.51 116.07 2dkw h ILE 72 Ca -0.02 -1.07 -0.15 0.00 -0.39 0.00 0.00 64.86 63.22 2dkw h ILE 72 Cb 1.26 1.25 -0.00 0.00 -3.07 0.00 0.00 36.82 36.26 2dkw h ILE 72 CO 0.12 0.34 -0.39 -0.78 -0.69 0.00 0.00 178.15 176.74 2dkw h ASP 73 N 0.38 0.90 -0.10 1.72 3.58 -1.41 -2.88 116.42 118.61 2dkw h ASP 73 Ca 0.07 -0.49 0.03 0.00 0.42 0.00 0.00 57.03 57.05 2dkw h ASP 73 Cb 0.54 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 2dkw h ASP 73 CO 0.03 1.21 0.27 0.25 -2.88 0.00 0.00 179.24 178.13 2dkw h LEU 74 N 0.61 0.00 0.13 2.28 5.85 -1.36 -2.29 115.31 120.52 2dkw h LEU 74 Ca 0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2dkw h LEU 74 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2dkw h LEU 74 CO 0.09 0.00 -0.06 0.40 -0.34 0.00 0.00 178.44 178.53 2dkw h ILE 75 N 0.00 0.00 -0.80 4.05 2.04 -1.51 -2.07 117.51 119.22 2dkw h ILE 75 Ca 0.05 -0.41 0.23 0.00 1.00 0.00 0.00 64.86 65.73 2dkw h ILE 75 Cb 0.59 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2dkw h ILE 75 CO -0.00 0.00 0.73 0.00 0.00 0.00 0.00 178.15 178.88 2dkw h SER 77 N 0.00 0.44 -0.48 0.00 4.64 -1.49 -3.13 113.55 113.54 2dkw h SER 77 Ca 0.38 -0.50 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 2dkw h SER 77 Cb 1.83 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.75 2dkw h SER 77 CO -0.00 1.40 -0.08 0.78 -0.87 0.00 0.00 176.83 178.05 2dkw h ASN 78 N 0.08 0.93 -0.53 4.97 4.21 0.83 -2.08 115.58 123.99 2dkw h ASN 78 Ca -0.17 -0.29 -0.09 0.00 1.21 0.00 0.00 56.30 56.96 2dkw h ASN 78 Cb 2.00 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 38.92 2dkw h ASN 78 CO 0.20 1.04 -0.03 0.00 -1.29 0.00 0.00 177.43 177.35 2dkw h ALA 79 N 1.05 0.90 0.00 -0.83 0.00 -1.39 0.44 119.26 119.43 2dkw h ALA 79 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2dkw h ALA 79 Cb 0.61 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2dkw h ALA 79 CO 0.04 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.22 2dkw n LEU 80 N -4.18 0.00 -0.01 0.00 4.77 -1.12 -3.17 117.00 113.29 2dkw n LEU 80 Ca 0.03 0.25 0.03 0.00 -0.03 0.00 0.00 56.01 56.29 2dkw n LEU 80 Cb 0.35 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 2dkw n LEU 80 CO 0.44 -0.01 -0.64 -0.62 -1.33 0.00 0.00 177.39 175.23 2dkw n GLU 81 N -1.25 0.65 -3.49 3.23 -0.58 -0.80 -4.78 120.64 113.63 2dkw n GLU 81 Ca 0.15 -0.07 -0.27 0.00 -0.42 0.00 0.00 57.16 56.55 2dkw n GLU 81 Cb 0.21 -1.22 -0.09 0.00 -0.57 0.00 0.00 31.44 29.77 2dkw n GLU 81 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2dkw n TYR 82 N -1.90 2.59 -3.63 -0.32 4.02 0.15 -5.05 117.16 113.01 2dkw n TYR 82 Ca -0.04 -4.04 -0.15 0.00 -0.01 0.00 0.00 57.90 53.67 2dkw n TYR 82 Cb 0.33 -0.48 -0.07 0.00 -0.02 0.00 0.00 39.34 39.09 2dkw n TYR 82 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2dkw s ASN 83 N -1.87 -0.67 -0.61 7.72 0.01 -1.24 -4.75 114.94 113.53 2dkw s ASN 83 Ca 0.35 1.18 -0.26 0.00 -0.71 0.00 0.00 52.86 53.42 2dkw s ASN 83 Cb 0.10 1.17 -0.02 0.00 0.41 0.00 0.00 41.25 42.91 2dkw s ASN 83 CO -0.08 -0.31 1.87 -2.16 -1.51 0.00 0.00 177.10 174.91 2dkw s PRO 84 N 0.00 2.62 1.23 -0.60 0.04 -1.26 -4.98 135.00 132.05 2dkw s PRO 84 Ca -0.03 0.62 -0.19 0.00 0.04 0.00 0.00 61.00 61.45 2dkw s PRO 84 Cb -0.04 -4.39 0.29 0.00 0.04 0.00 0.00 34.50 30.41 2dkw s PRO 84 CO 0.03 -2.74 1.06 0.34 0.04 0.00 0.00 177.00 175.73 2dkw s ASP 85 N 8.14 0.67 -1.39 6.66 2.15 -1.26 -4.02 116.67 127.62 2dkw s ASP 85 Ca 0.67 0.83 -0.01 0.00 0.43 0.00 0.00 52.55 54.47 2dkw s ASP 85 Cb -0.13 -1.21 0.00 0.00 -0.30 0.00 0.00 42.92 41.29 2dkw s ASP 85 CO 0.21 -4.30 0.14 1.17 -0.17 0.00 0.00 175.17 172.22 2dkw n LYS 86 N -4.91 -2.10 -4.11 4.34 3.00 -1.26 -5.00 118.16 108.12 2dkw n LYS 86 Ca 0.11 0.79 -0.15 0.00 -0.00 0.00 0.00 58.31 59.06 2dkw n LYS 86 Cb 0.59 -5.25 -0.14 0.00 0.00 0.00 0.00 35.03 30.23 2dkw n LYS 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2dkw s ASP 87 N -2.39 0.52 0.00 3.14 2.15 -1.26 -5.02 116.67 113.81 2dkw s ASP 87 Ca 0.07 -0.08 0.15 0.00 0.43 0.00 0.00 52.55 53.12 2dkw s ASP 87 Cb -0.03 -0.06 0.71 0.00 -0.30 0.00 0.00 42.92 43.24 2dkw s ASP 87 CO 0.09 0.05 1.42 -0.81 -0.17 0.00 0.00 175.17 175.75 2dkw n PRO 88 N 2.98 0.16 0.04 4.34 -0.04 -1.26 -2.79 135.00 138.43 2dkw n PRO 88 Ca -0.13 0.17 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 2dkw n PRO 88 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2dkw n PRO 88 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2dkw h GLY 89 N 2.44 0.29 2.00 0.55 0.00 -1.95 -3.35 103.07 103.04 2dkw h GLY 89 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.50 2dkw h GLY 89 CO 0.00 0.64 -0.46 -0.55 0.00 0.00 0.00 176.54 176.18 2dkw h ASP 90 N 0.07 0.00 -0.74 0.19 3.32 -1.80 -3.21 116.42 114.25 2dkw h ASP 90 Ca -0.32 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.93 2dkw h ASP 90 Cb 2.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.55 2dkw h ASP 90 CO 0.13 0.46 0.52 0.50 -1.72 0.00 0.00 179.24 179.13 2dkw h LYS 91 N 0.00 0.08 0.11 3.56 3.64 -1.67 -1.16 116.57 121.13 2dkw h LYS 91 Ca -0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2dkw h LYS 91 Cb 1.23 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2dkw h LYS 91 CO 0.06 0.05 -0.05 0.82 -2.27 0.00 0.00 179.45 178.06 2dkw h ILE 92 N 0.08 0.00 -1.46 2.00 2.04 -1.75 -3.21 117.51 115.22 2dkw h ILE 92 Ca 0.36 -0.32 0.42 0.00 1.00 0.00 0.00 64.86 66.32 2dkw h ILE 92 Cb 1.30 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 2dkw h ILE 92 CO -0.03 0.00 1.04 0.40 0.00 0.00 0.00 178.15 179.56 2dkw h ILE 93 N -0.46 0.27 -0.32 -0.67 2.04 -1.64 0.46 117.51 117.19 2dkw h ILE 93 Ca -0.01 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2dkw h ILE 93 Cb 0.11 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2dkw h ILE 93 CO 0.02 0.00 0.11 -0.09 0.00 0.00 0.00 178.15 178.20 2dkw h ARG 94 N 0.01 0.49 0.54 2.37 2.43 -1.28 0.34 114.38 119.26 2dkw h ARG 94 Ca 0.70 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.74 2dkw h ARG 94 Cb 2.77 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 32.25 2dkw h ARG 94 CO -0.02 0.51 -0.26 1.25 -1.51 0.00 0.00 179.97 179.95 2dkw h HIS 95 N 0.36 -0.67 -0.05 2.20 2.76 -0.09 -3.10 115.15 116.56 2dkw h HIS 95 Ca 0.10 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2dkw h HIS 95 Cb 0.22 0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 2dkw h HIS 95 CO 0.00 -0.35 0.04 0.07 -1.30 0.00 0.00 177.93 176.39 2dkw h ARG 96 N -1.06 0.00 -0.56 5.26 0.11 -1.47 -2.45 114.38 114.21 2dkw h ARG 96 Ca -0.07 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.12 2dkw h ARG 96 Cb 0.62 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.61 2dkw h ARG 96 CO 0.12 0.00 0.01 0.00 0.10 0.00 0.00 179.97 180.20 2dkw h ALA 97 N 1.97 0.55 -0.06 0.08 0.00 -0.24 0.85 119.26 122.40 2dkw h ALA 97 Ca 0.02 0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 2dkw h ALA 97 Cb 0.10 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2dkw h ALA 97 CO -0.00 -0.38 -0.77 0.00 0.00 0.00 0.00 179.25 178.10 2dkw h THR 99 N 0.27 0.27 -0.59 0.00 2.02 -1.00 -3.01 112.91 110.87 2dkw h THR 99 Ca -0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.19 2dkw h THR 99 Cb 1.36 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.97 2dkw h THR 99 CO 0.13 0.00 -0.36 0.25 0.37 0.00 0.00 175.52 175.92 2dkw h LEU 100 N -0.94 -1.30 0.00 2.58 5.85 -0.98 -1.85 115.31 118.66 2dkw h LEU 100 Ca -0.09 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2dkw h LEU 100 Cb 0.74 0.57 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2dkw h LEU 100 CO 0.12 -0.14 0.00 1.17 -0.34 0.00 0.00 178.44 179.25 2dkw n LYS 101 N -4.36 0.00 -0.18 1.25 4.81 -1.21 -1.87 118.16 116.61 2dkw n LYS 101 Ca 0.01 0.95 -0.05 0.00 -0.87 0.00 0.00 58.31 58.36 2dkw n LYS 101 Cb 0.16 -1.47 -0.04 0.00 0.02 0.00 0.00 35.03 33.69 2dkw n LYS 101 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2dkw n ASP 102 N -2.86 -0.45 -0.34 3.14 2.03 -0.88 -0.48 116.55 116.71 2dkw n ASP 102 Ca 0.00 1.13 -0.07 0.00 0.52 0.00 0.00 54.79 56.36 2dkw n ASP 102 Cb 0.00 -0.28 -0.06 0.00 -0.72 0.00 0.00 41.12 40.06 2dkw n ASP 102 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2dkw n THR 103 N -3.97 -0.54 0.20 5.18 -1.04 -0.75 0.04 114.28 113.41 2dkw n THR 103 Ca 0.01 2.00 -0.15 0.00 -2.04 0.00 0.00 64.05 63.87 2dkw n THR 103 Cb 0.11 -2.51 -0.07 0.00 -1.82 0.00 0.00 70.33 66.04 2dkw n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dkw h ALA 104 N 0.58 -0.60 0.00 2.41 0.00 -0.24 -0.05 119.26 121.37 2dkw h ALA 104 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dkw h ALA 104 Cb 0.38 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2dkw h ALA 104 CO -0.79 -0.87 0.22 0.45 0.00 0.00 0.00 179.25 178.26 2dkw h HIS 105 N -0.61 0.00 0.12 0.00 -0.00 0.11 -0.16 115.15 114.61 2dkw h HIS 105 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 60.37 60.03 2dkw h HIS 105 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 2dkw h HIS 105 CO -0.17 0.00 -1.75 0.00 -0.00 0.00 0.00 177.93 176.01 2dkw h ALA 106 N 1.50 0.32 -0.45 2.45 0.00 0.12 -3.06 119.26 120.13 2dkw h ALA 106 Ca 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 54.91 53.62 2dkw h ALA 106 Cb 0.44 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2dkw h ALA 106 CO 0.00 1.09 0.20 0.82 0.00 0.00 0.00 179.25 181.36 2dkw h ILE 107 N -0.14 1.19 -0.02 0.00 2.04 0.68 -0.08 117.51 121.19 2dkw h ILE 107 Ca -0.38 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 2dkw h ILE 107 Cb 1.89 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.71 2dkw h ILE 107 CO 0.06 0.22 -0.01 0.40 0.00 0.00 0.00 178.15 178.82 2dkw h ILE 108 N 0.58 1.32 -0.83 -0.67 1.08 -1.51 0.13 117.51 117.62 2dkw h ILE 108 Ca 0.15 -0.98 0.05 0.00 -0.39 0.00 0.00 64.86 63.70 2dkw h ILE 108 Cb 0.16 1.94 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 2dkw h ILE 108 CO -0.02 0.26 0.54 0.00 -0.69 0.00 0.00 178.15 178.25 2dkw h ALA 109 N 0.60 1.56 -0.01 1.87 0.00 -1.49 0.44 119.26 122.24 2dkw h ALA 109 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2dkw h ALA 109 Cb 0.42 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dkw h ALA 109 CO 0.00 0.33 -0.14 0.00 0.00 0.00 0.00 179.25 179.45 2dkw h ALA 110 N 1.54 0.02 -1.14 0.00 0.00 -0.95 -3.40 119.26 115.34 2dkw h ALA 110 Ca 0.35 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dkw h ALA 110 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dkw h ALA 110 CO -0.12 -0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.52 2dkw n GLU 111 N -4.60 0.00 -1.41 0.00 1.02 0.44 -4.84 120.64 111.25 2dkw n GLU 111 Ca -0.09 0.31 -0.47 0.00 -0.02 0.00 0.00 57.16 56.88 2dkw n GLU 111 Cb 0.44 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 30.81 2dkw n GLU 111 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2dkw n LEU 112 N -1.43 -1.08 -4.81 -4.62 7.94 0.15 -4.96 117.00 108.19 2dkw n LEU 112 Ca 0.00 1.12 -0.24 0.00 -1.11 0.00 0.00 56.01 55.78 2dkw n LEU 112 Cb 0.00 -0.97 -0.05 0.00 0.53 0.00 0.00 43.42 42.93 2dkw n LEU 112 CO 0.00 -2.92 -0.19 -1.81 -1.11 0.00 0.00 177.39 171.36 2dkw s ASP 113 N -0.97 5.49 0.04 1.96 1.01 -1.26 -4.76 116.67 118.19 2dkw s ASP 113 Ca 0.63 -0.21 0.16 0.00 0.71 0.00 0.00 52.55 53.84 2dkw s ASP 113 Cb -0.90 -1.40 0.67 0.00 1.01 0.00 0.00 42.92 42.30 2dkw s ASP 113 CO 0.57 0.01 1.50 -0.81 0.21 0.00 0.00 175.17 176.64 2dkw n PRO 114 N -0.82 0.03 -0.10 8.23 -0.04 -1.26 -1.43 135.00 139.61 2dkw n PRO 114 Ca -0.08 0.28 -0.17 0.00 -0.04 0.00 0.00 63.50 63.50 2dkw n PRO 114 Cb 0.57 -1.56 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.63 0.67 0.04 0.54 0.28 -1.26 -4.13 120.64 115.15 2dkw n GLU 115 Ca 0.03 0.14 -0.19 0.00 -0.16 0.00 0.00 57.16 56.98 2dkw n GLU 115 Cb 0.18 -1.55 -0.09 0.00 1.43 0.00 0.00 31.44 31.41 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 0.01 0.97 -0.65 -1.84 3.04 -1.94 -3.22 116.94 113.31 2dkw h PHE 116 Ca -0.55 -0.51 0.03 0.00 3.98 0.00 0.00 57.97 60.92 2dkw h PHE 116 Cb 1.99 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 40.35 2dkw h PHE 116 CO 0.03 1.35 0.43 -0.97 -2.02 0.00 0.00 178.31 177.12 2dkw h ASN 117 N 0.38 0.66 0.95 0.41 -1.24 -1.46 0.31 115.58 115.59 2dkw h ASN 117 Ca -0.11 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.89 2dkw h ASN 117 Cb 1.64 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.53 2dkw h ASN 117 CO 0.19 0.46 0.00 0.11 -1.29 0.00 0.00 177.43 176.90 2dkw h LYS 118 N 0.77 0.00 0.00 6.67 1.57 -1.71 -2.96 116.57 120.91 2dkw h LYS 118 Ca 0.26 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2dkw h LYS 118 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2dkw h LYS 118 CO -0.07 0.00 -0.01 -0.07 -0.57 0.00 0.00 179.45 178.73 2dkw h LEU 119 N 0.00 0.00 -1.31 2.94 3.38 -0.98 -2.58 115.31 116.76 2dkw h LEU 119 Ca 0.00 -0.33 0.24 0.00 0.09 0.00 0.00 57.88 57.87 2dkw h LEU 119 Cb 0.47 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 2dkw h LEU 119 CO 0.00 0.67 0.64 0.00 0.09 0.00 0.00 178.44 179.84 2dkw h GLU 121 N 0.48 0.00 -0.33 0.00 4.11 -1.64 -3.27 114.58 113.94 2dkw h GLU 121 Ca 0.56 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.93 2dkw h GLU 121 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 2dkw h GLU 121 CO -0.29 0.00 -0.09 1.49 0.07 0.00 0.00 179.01 180.19 2dkw h GLU 122 N 0.00 0.54 -0.10 1.06 4.81 0.11 -2.84 114.58 118.15 2dkw h GLU 122 Ca 0.00 -0.15 -0.22 0.00 -0.13 0.00 0.00 59.36 58.87 2dkw h GLU 122 Cb 0.85 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.18 2dkw h GLU 122 CO 0.00 0.63 -0.81 0.82 -0.73 0.00 0.00 179.01 178.92 2dkw h ILE 123 N 0.50 1.31 -0.08 2.32 5.03 -1.57 -2.52 117.51 122.50 2dkw h ILE 123 Ca 0.10 -2.09 0.02 0.00 -0.12 0.00 0.00 64.86 62.77 2dkw h ILE 123 Cb 0.46 2.10 -0.00 0.00 -3.03 0.00 0.00 36.82 36.34 2dkw h ILE 123 CO 0.02 0.65 0.09 0.50 -0.68 0.00 0.00 178.15 178.73 2dkw h LYS 124 N 0.43 0.00 0.00 2.37 3.64 -1.61 0.36 116.57 121.75 2dkw h LYS 124 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2dkw h LYS 124 Cb 1.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2dkw h LYS 124 CO 0.16 0.00 -0.28 1.49 -2.27 0.00 0.00 179.45 178.55 2dkw h GLU 125 N 0.00 0.00 -0.76 1.90 4.57 -1.44 -3.39 114.58 115.47 2dkw h GLU 125 Ca 0.04 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.30 2dkw h GLU 125 Cb 0.21 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.73 2dkw h GLU 125 CO -0.00 0.00 0.42 0.66 -1.18 0.00 0.00 179.01 178.91 2dkw h SER 126 N -0.85 0.60 0.00 1.04 4.64 -1.38 -3.43 113.55 114.18 2dkw h SER 126 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2dkw h SER 126 Cb 0.28 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2dkw h SER 126 CO 0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 2dkw n GLY 127 N -1.31 -3.27 3.77 -0.77 0.00 0.12 -4.96 105.19 98.78 2dkw n GLY 127 Ca 0.11 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 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 2.87 -0.17 1.61 0.04 -1.26 -4.99 135.00 133.10 2dkw s PRO 128 Ca 0.00 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.47 2dkw s PRO 128 Cb 0.00 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.61 2dkw s PRO 128 CO 0.00 -1.20 -0.17 -1.54 0.04 0.00 0.00 177.00 174.14 2dkw s SER 129 N -2.47 3.00 -0.29 6.66 1.04 -1.26 -4.83 113.70 115.54 2dkw s SER 129 Ca 0.68 -0.62 -0.23 0.00 0.48 0.00 0.00 55.95 56.26 2dkw s SER 129 Cb -0.21 -1.34 0.17 0.00 0.10 0.00 0.00 66.02 64.74 2dkw s SER 129 CO 0.40 -0.04 1.26 -0.94 0.98 0.00 0.00 173.24 174.90 2dkw s SER 130 N 1.37 -0.21 0.00 7.02 1.04 -1.26 -5.26 113.70 116.41 2dkw s SER 130 Ca 0.04 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2dkw s SER 130 Cb -0.13 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2dkw s SER 130 CO -0.12 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.65