#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dyg h PRO 2 N 0.00 0.68 0.00 2.12 0.11 -2.01 -1.76 132.00 131.13 3dyg h PRO 2 Ca 0.00 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 3dyg h PRO 2 Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3dyg h PRO 2 CO 0.00 0.45 -0.33 1.98 -0.21 0.00 0.00 178.00 179.89 3dyg h MET 3 N 0.70 0.00 0.12 1.05 1.85 -2.00 -2.64 114.93 114.01 3dyg h MET 3 Ca 0.29 0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 59.10 3dyg h MET 3 Cb 0.16 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.21 3dyg h MET 3 CO -0.17 0.33 -1.22 -0.56 -0.40 0.00 0.00 176.91 174.89 3dyg h GLN 4 N 0.00 0.52 -0.14 0.39 3.07 -1.79 -3.06 115.11 114.10 3dyg h GLN 4 Ca -0.00 -0.71 -0.19 0.00 0.09 0.00 0.00 58.65 57.83 3dyg h GLN 4 Cb 0.74 0.24 0.00 0.00 0.08 0.00 0.00 27.48 28.54 3dyg h GLN 4 CO 0.04 1.31 -0.70 0.00 0.09 0.00 0.00 178.83 179.58 3dyg h MET 5 N 0.22 0.62 -0.88 0.06 -0.00 -1.40 -2.61 114.93 110.93 3dyg h MET 5 Ca -0.17 -0.47 0.06 0.00 -0.00 0.00 0.00 59.70 59.12 3dyg h MET 5 Cb 1.90 0.09 -0.06 0.00 -0.00 0.00 0.00 31.60 33.53 3dyg h MET 5 CO 0.22 1.09 0.58 0.35 -0.00 0.00 0.00 176.91 179.15 3dyg h PHE 6 N 0.44 1.01 0.00 -0.10 3.57 -1.55 0.02 116.94 120.32 3dyg h PHE 6 Ca -0.03 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 3dyg h PHE 6 Cb 1.29 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 3dyg h PHE 6 CO 0.06 0.53 -0.72 0.52 -2.23 0.00 0.00 178.31 176.47 3dyg h MET 7 N 1.00 0.00 -0.48 1.11 2.86 -1.49 -2.69 114.93 115.23 3dyg h MET 7 Ca 0.38 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.97 3dyg h MET 7 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3dyg h MET 7 CO -0.14 0.72 0.11 0.37 1.06 0.00 0.00 176.91 179.03 3dyg h GLN 8 N 0.00 0.77 0.00 1.72 4.15 -0.65 -2.24 115.11 118.86 3dyg h GLN 8 Ca -0.01 -0.19 -0.08 0.00 0.77 0.00 0.00 58.65 59.15 3dyg h GLN 8 Cb 1.34 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 3dyg h GLN 8 CO 0.09 0.76 -0.38 0.28 -1.93 0.00 0.00 178.83 177.65 3dyg h VAL 9 N 0.65 1.09 -0.55 2.39 2.07 -1.22 -2.49 116.25 118.19 3dyg h VAL 9 Ca 0.15 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3dyg h VAL 9 Cb 0.33 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3dyg h VAL 9 CO 0.00 0.37 0.36 0.22 0.02 0.00 0.00 177.57 178.54 3dyg h TYR 10 N 0.00 0.70 -0.33 1.57 3.20 -1.07 0.49 116.97 121.53 3dyg h TYR 10 Ca -0.00 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 3dyg h TYR 10 Cb 0.76 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3dyg h TYR 10 CO 0.00 0.45 -0.14 -0.44 -1.64 0.00 0.00 178.16 176.39 3dyg h ASP 11 N 0.74 0.57 -0.57 -2.11 3.32 -1.12 0.47 116.42 117.73 3dyg h ASP 11 Ca 0.20 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 3dyg h ASP 11 Cb -0.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3dyg h ASP 11 CO -0.04 0.74 0.02 -0.08 -1.72 0.00 0.00 179.24 178.16 3dyg h GLU 12 N 0.53 1.02 -0.08 3.56 4.81 -0.99 -0.65 114.58 122.78 3dyg h GLU 12 Ca 0.09 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 3dyg h GLU 12 Cb 0.55 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 3dyg h GLU 12 CO 0.04 0.99 -0.14 0.82 -0.73 0.00 0.00 179.01 179.99 3dyg h ILE 13 N 0.94 1.39 -0.92 2.32 2.04 -0.56 -2.32 117.51 120.40 3dyg h ILE 13 Ca 0.17 -1.39 0.03 0.00 1.00 0.00 0.00 64.86 64.67 3dyg h ILE 13 Cb 0.52 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.66 3dyg h ILE 13 CO 0.03 0.39 0.61 -0.61 0.00 0.00 0.00 178.15 178.57 3dyg h GLN 14 N -0.22 1.16 -0.09 2.37 4.15 -0.82 -1.61 115.11 120.04 3dyg h GLN 14 Ca 0.01 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3dyg h GLN 14 Cb 0.70 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 3dyg h GLN 14 CO 0.03 0.77 0.02 1.98 -1.93 0.00 0.00 178.83 179.70 3dyg h MET 15 N 1.19 0.14 0.33 1.69 4.05 -1.10 -0.83 114.93 120.40 3dyg h MET 15 Ca 0.36 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.74 3dyg h MET 15 Cb -0.04 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 3dyg h MET 15 CO -0.10 0.32 -0.30 0.35 0.23 0.00 0.00 176.91 177.41 3dyg h PHE 16 N -0.06 -0.81 0.30 1.39 3.57 -1.02 -1.05 116.94 119.26 3dyg h PHE 16 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3dyg h PHE 16 Cb 0.25 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 3dyg h PHE 16 CO 0.01 -0.44 -0.30 -0.07 -2.23 0.00 0.00 178.31 175.28 3dyg h LEU 17 N -0.66 -0.80 -0.80 0.59 3.38 -1.29 -0.46 115.31 115.27 3dyg h LEU 17 Ca -0.02 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3dyg h LEU 17 Cb 0.59 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 3dyg h LEU 17 CO -0.04 -0.42 0.40 -0.07 0.09 0.00 0.00 178.44 178.39 3dyg h LEU 18 N -0.62 1.04 -0.94 1.67 3.38 -1.15 -2.14 115.31 116.56 3dyg h LEU 18 Ca -0.01 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 3dyg h LEU 18 Cb 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dyg h LEU 18 CO -0.06 0.88 -0.27 -0.33 0.09 0.00 0.00 178.44 178.75 3dyg h GLU 19 N 1.14 0.45 -0.67 1.13 5.08 -1.06 -2.67 114.58 117.98 3dyg h GLU 19 Ca 0.28 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3dyg h GLU 19 Cb 0.10 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3dyg h GLU 19 CO -0.04 0.69 0.10 1.49 -1.00 0.00 0.00 179.01 180.25 3dyg h GLU 20 N 0.40 1.12 -0.44 2.33 4.81 -0.65 -0.93 114.58 121.21 3dyg h GLU 20 Ca 0.06 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3dyg h GLU 20 Cb 0.69 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3dyg h GLU 20 CO 0.05 1.03 0.17 -0.07 -0.73 0.00 0.00 179.01 179.46 3dyg h LEU 21 N 1.04 0.57 -0.06 1.64 3.38 -1.14 0.38 115.31 121.12 3dyg h LEU 21 Ca 0.20 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3dyg h LEU 21 Cb 0.46 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3dyg h LEU 21 CO 0.02 0.52 -0.16 -0.33 0.09 0.00 0.00 178.44 178.58 3dyg h GLU 22 N 0.63 0.22 -0.02 1.13 5.08 -1.13 -1.88 114.58 118.61 3dyg h GLU 22 Ca 0.15 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3dyg h GLU 22 Cb 0.13 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3dyg h GLU 22 CO -0.01 0.75 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.46 3dyg h LEU 23 N -0.28 0.23 0.00 1.33 3.38 -0.93 -3.31 115.31 115.73 3dyg h LEU 23 Ca -0.00 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.24 3dyg h LEU 23 Cb 0.76 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3dyg h LEU 23 CO 0.03 0.90 -2.00 0.29 0.09 0.00 0.00 178.44 177.76 3dyg n LYS 24 N -4.54 0.65 -0.12 1.13 5.02 0.13 -4.54 118.16 115.90 3dyg n LYS 24 Ca -0.09 -0.19 0.07 0.00 -2.02 0.00 0.00 58.31 56.08 3dyg n LYS 24 Cb 0.46 -1.51 0.13 0.00 -0.02 0.00 0.00 35.03 34.09 3dyg n LYS 24 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3dyg n PHE 25 N -2.27 0.31 -3.71 2.13 3.72 -0.78 -4.99 117.46 111.88 3dyg n PHE 25 Ca -0.05 -0.28 -0.25 0.00 -0.05 0.00 0.00 57.45 56.82 3dyg n PHE 25 Cb 0.58 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 39.17 3dyg n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3dyg n ASP 26 N 0.74 -4.46 -4.81 4.37 2.03 -1.02 -4.95 116.55 108.46 3dyg n ASP 26 Ca 0.11 -0.68 -0.38 0.00 0.52 0.00 0.00 54.79 54.36 3dyg n ASP 26 Cb 0.41 -4.49 -0.06 0.00 -0.72 0.00 0.00 41.12 36.26 3dyg n ASP 26 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 3dyg s MET 27 N -6.25 4.21 0.65 -0.67 1.75 -0.79 -5.02 119.30 113.19 3dyg s MET 27 Ca 0.45 0.75 -0.10 0.00 -1.25 0.00 0.00 55.69 55.54 3dyg s MET 27 Cb -0.21 -3.16 0.00 0.00 2.84 0.00 0.00 34.83 34.30 3dyg s MET 27 CO 0.78 0.58 1.02 0.16 -0.65 0.00 0.00 175.02 176.92 3dyg s ASP 28 N -1.26 5.65 0.36 1.11 -4.77 -1.26 -4.60 116.67 111.89 3dyg s ASP 28 Ca 0.32 1.07 0.03 0.00 -3.30 0.00 0.00 52.55 50.68 3dyg s ASP 28 Cb -0.19 -1.98 0.67 0.00 -1.09 0.00 0.00 42.92 40.33 3dyg s ASP 28 CO 0.20 -1.16 2.01 -0.65 0.70 0.00 0.00 175.17 176.27 3dyg h PRO 29 N -0.44 0.80 -0.27 2.11 0.11 -1.99 -1.43 132.00 130.88 3dyg h PRO 29 Ca -0.45 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3dyg h PRO 29 Cb 1.24 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3dyg h PRO 29 CO 0.63 0.53 0.07 -0.91 -0.21 0.00 0.00 178.00 178.11 3dyg h ASN 30 N 0.82 0.41 0.59 -2.05 2.35 -1.99 -1.48 115.58 114.23 3dyg h ASN 30 Ca 0.24 -0.22 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 3dyg h ASN 30 Cb -0.05 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3dyg h ASN 30 CO -0.06 0.52 -0.71 0.03 -1.65 0.00 0.00 177.43 175.57 3dyg h ARG 31 N 0.27 0.10 -0.56 0.81 3.08 -1.90 -1.33 114.38 114.86 3dyg h ARG 31 Ca 0.09 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3dyg h ARG 31 Cb 0.27 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3dyg h ARG 31 CO -0.00 0.77 0.15 0.28 -1.07 0.00 0.00 179.97 180.09 3dyg h VAL 32 N 0.07 1.24 -0.47 2.04 2.07 -1.20 0.02 116.25 120.02 3dyg h VAL 32 Ca -0.01 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 3dyg h VAL 32 Cb 1.25 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3dyg h VAL 32 CO 0.10 0.32 0.20 -0.09 0.02 0.00 0.00 177.57 178.11 3dyg h ARG 33 N 0.79 0.69 -0.55 1.57 2.43 -1.12 -0.83 114.38 117.36 3dyg h ARG 33 Ca 0.18 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3dyg h ARG 33 Cb 0.32 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 3dyg h ARG 33 CO -0.00 0.62 0.30 -0.92 -1.51 0.00 0.00 179.97 178.45 3dyg h TYR 34 N 0.61 0.54 -0.06 2.20 3.20 -0.82 -2.09 116.97 120.54 3dyg h TYR 34 Ca 0.16 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 3dyg h TYR 34 Cb 0.17 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3dyg h TYR 34 CO 0.00 0.27 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.30 3dyg h LEU 35 N 0.57 0.15 -0.36 2.82 3.38 -0.68 -0.90 115.31 120.28 3dyg h LEU 35 Ca 0.24 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3dyg h LEU 35 Cb 0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3dyg h LEU 35 CO -0.15 0.56 0.12 -0.09 0.09 0.00 0.00 178.44 178.96 3dyg h ARG 36 N 0.12 0.55 -0.25 1.13 2.43 -0.52 0.97 114.38 118.82 3dyg h ARG 36 Ca 0.01 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 3dyg h ARG 36 Cb 0.80 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3dyg h ARG 36 CO 0.06 0.56 -0.30 0.87 -1.51 0.00 0.00 179.97 179.65 3dyg h LYS 37 N 0.42 0.50 -0.17 0.20 1.57 -1.23 -1.46 116.57 116.41 3dyg h LYS 37 Ca 0.12 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3dyg h LYS 37 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3dyg h LYS 37 CO -0.01 0.75 0.08 1.98 -0.57 0.00 0.00 179.45 181.68 3dyg h MET 38 N 0.43 0.24 -0.46 3.15 4.05 -0.79 0.33 114.93 121.90 3dyg h MET 38 Ca 0.06 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3dyg h MET 38 Cb 0.75 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.48 3dyg h MET 38 CO 0.06 0.29 0.25 1.98 0.23 0.00 0.00 176.91 179.71 3dyg h MET 39 N 0.14 0.64 -0.16 0.39 1.85 -0.63 -1.58 114.93 115.58 3dyg h MET 39 Ca 0.06 -0.08 -0.02 0.00 -0.61 0.00 0.00 59.70 59.05 3dyg h MET 39 Cb 0.13 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 3dyg h MET 39 CO -0.01 0.51 0.03 -0.44 -0.40 0.00 0.00 176.91 176.60 3dyg h ASP 40 N 0.60 0.26 -0.30 1.39 3.32 -1.15 -0.12 116.42 120.42 3dyg h ASP 40 Ca 0.16 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3dyg h ASP 40 Cb 0.06 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3dyg h ASP 40 CO -0.03 0.45 0.10 0.74 -1.72 0.00 0.00 179.24 178.78 3dyg h THR 41 N 0.06 1.20 0.00 0.35 2.02 -0.87 -0.77 112.91 114.90 3dyg h THR 41 Ca 0.05 -0.64 -0.11 0.00 0.77 0.00 0.00 66.41 66.48 3dyg h THR 41 Cb 0.30 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3dyg h THR 41 CO 0.00 0.22 -0.74 0.71 0.37 0.00 0.00 175.52 176.08 3dyg h THR 42 N 0.33 0.70 0.00 3.16 1.35 -1.35 -3.38 112.91 113.72 3dyg h THR 42 Ca 0.10 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 3dyg h THR 42 Cb 0.24 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3dyg h THR 42 CO -0.00 0.40 -1.83 0.00 -0.25 0.00 0.00 175.52 173.83 3dyg s LEU 44 N -4.27 3.38 0.00 0.00 1.43 -0.30 -4.72 118.68 114.21 3dyg s LEU 44 Ca -0.07 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3dyg s LEU 44 Cb 0.12 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3dyg s LEU 44 CO 0.77 0.06 0.00 0.61 0.23 0.00 0.00 176.35 178.03 3dyg n GLY 45 N -0.34 1.40 0.00 -3.19 0.00 -1.26 -4.75 105.19 97.06 3dyg n GLY 45 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3dyg n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dyg n GLY 46 N 0.00 -2.16 0.12 -0.02 0.00 -1.26 -4.96 105.19 96.91 3dyg n GLY 46 Ca 0.00 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.70 3dyg n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dyg h LYS 47 N 0.00 0.00 -2.56 1.61 1.79 -1.98 -3.48 116.57 111.95 3dyg h LYS 47 Ca 0.00 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.06 3dyg h LYS 47 Cb 0.00 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 3dyg h LYS 47 CO 0.00 0.00 -0.49 0.66 -1.08 0.00 0.00 179.45 178.54 3dyg n TYR 48 N -2.50 -0.78 -0.04 -1.35 4.01 -1.26 -4.88 117.16 110.36 3dyg n TYR 48 Ca 0.03 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3dyg n TYR 48 Cb 0.49 -3.81 0.28 0.00 -0.31 0.00 0.00 39.34 35.99 3dyg n TYR 48 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3dyg h ASN 49 N 0.00 0.57 0.20 7.72 -0.26 -1.98 -0.34 115.58 121.48 3dyg h ASN 49 Ca -0.47 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.16 3dyg h ASN 49 Cb 1.36 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 3dyg h ASN 49 CO 0.59 0.59 -0.10 0.03 -1.06 0.00 0.00 177.43 177.48 3dyg h ARG 50 N 0.59 -0.26 -0.48 0.81 3.08 -1.89 -2.40 114.38 113.83 3dyg h ARG 50 Ca 0.13 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 3dyg h ARG 50 Cb 0.27 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3dyg h ARG 50 CO 0.00 0.01 -0.04 0.78 -1.07 0.00 0.00 179.97 179.66 3dyg h GLY 51 N -0.52 0.95 1.88 0.04 0.00 -1.68 -3.03 103.07 100.70 3dyg h GLY 51 Ca -0.03 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 3dyg h GLY 51 CO 0.05 0.66 -0.23 1.41 0.00 0.00 0.00 176.54 178.43 3dyg h LEU 52 N 0.73 0.14 -0.79 3.11 3.38 -1.12 -2.60 115.31 118.16 3dyg h LEU 52 Ca 0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dyg h LEU 52 Cb 0.56 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3dyg h LEU 52 CO 0.03 0.38 0.48 0.74 0.09 0.00 0.00 178.44 180.15 3dyg h THR 53 N 0.13 1.22 -0.17 0.22 2.02 -1.30 -1.32 112.91 113.71 3dyg h THR 53 Ca 0.02 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 66.76 3dyg h THR 53 Cb 0.48 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 3dyg h THR 53 CO 0.03 0.23 -0.04 0.58 0.37 0.00 0.00 175.52 176.69 3dyg h VAL 54 N 1.08 0.83 -0.93 3.16 2.07 -1.47 -0.36 116.25 120.62 3dyg h VAL 54 Ca 0.28 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.87 3dyg h VAL 54 Cb -0.04 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 3dyg h VAL 54 CO -0.05 0.00 0.59 0.40 0.02 0.00 0.00 177.57 178.53 3dyg h ILE 55 N -0.00 1.06 -0.25 4.57 2.04 -1.44 -0.64 117.51 122.85 3dyg h ILE 55 Ca 0.08 -0.37 -0.17 0.00 1.00 0.00 0.00 64.86 65.40 3dyg h ILE 55 Cb 0.13 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3dyg h ILE 55 CO -0.17 0.20 -0.53 -0.78 0.00 0.00 0.00 178.15 176.86 3dyg h ASP 56 N 1.07 0.81 -0.28 1.72 3.58 -0.50 -1.18 116.42 121.64 3dyg h ASP 56 Ca 0.40 -0.42 -0.07 0.00 0.42 0.00 0.00 57.03 57.36 3dyg h ASP 56 Cb 0.17 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 3dyg h ASP 56 CO -0.17 1.18 -0.08 0.58 -2.88 0.00 0.00 179.24 177.87 3dyg h VAL 57 N 0.56 1.28 -0.13 2.25 2.07 -0.82 -1.37 116.25 120.11 3dyg h VAL 57 Ca 0.02 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.45 3dyg h VAL 57 Cb 1.11 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 3dyg h VAL 57 CO 0.11 0.36 -0.10 0.00 0.02 0.00 0.00 177.57 177.95 3dyg h ALA 58 N 0.77 -0.01 -0.80 1.67 0.00 -1.06 -2.27 119.26 117.56 3dyg h ALA 58 Ca 0.07 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3dyg h ALA 58 Cb 0.57 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3dyg h ALA 58 CO 0.03 -0.56 0.32 1.49 0.00 0.00 0.00 179.25 180.53 3dyg h GLU 59 N -0.12 1.20 0.00 0.00 4.81 -1.15 -2.60 114.58 116.72 3dyg h GLU 59 Ca 0.08 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3dyg h GLU 59 Cb 0.24 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3dyg h GLU 59 CO -0.20 0.97 0.00 -1.13 -0.73 0.00 0.00 179.01 177.92 3dyg n SER 60 N -4.27 0.00 -0.18 1.04 3.41 -0.52 -2.87 113.62 110.23 3dyg n SER 60 Ca 0.07 -0.49 0.04 0.00 -0.26 0.00 0.00 58.87 58.23 3dyg n SER 60 Cb 0.19 -0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3dyg n SER 60 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dyg n LEU 61 N -1.09 1.07 -0.26 1.04 4.77 -0.90 -4.40 117.00 117.23 3dyg n LEU 61 Ca 0.15 -0.77 0.16 0.00 -0.03 0.00 0.00 56.01 55.52 3dyg n LEU 61 Cb 0.11 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.65 3dyg n LEU 61 CO 0.14 0.22 1.22 -0.07 -1.33 0.00 0.00 177.39 177.57 3dyg h LEU 62 N 0.87 0.52 -0.11 2.23 3.38 -1.42 -2.88 115.31 117.90 3dyg h LEU 62 Ca 0.00 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3dyg h LEU 62 Cb 0.26 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dyg h LEU 62 CO 0.00 0.22 -0.22 0.77 0.09 0.00 0.00 178.44 179.30 3dyg h SER 63 N 0.53 0.39 -1.61 -0.43 4.64 -1.83 -3.52 113.55 111.72 3dyg h SER 63 Ca 0.47 -0.56 -0.67 0.00 -0.47 0.00 0.00 61.79 60.56 3dyg h SER 63 Cb 1.00 -0.11 -0.34 0.00 -0.31 0.00 0.00 62.40 62.63 3dyg h SER 63 CO -0.21 0.87 0.22 -0.11 -0.87 0.00 0.00 176.83 176.73 3dyg n LEU 64 N -4.50 6.28 -0.03 5.97 7.94 -1.09 -5.26 117.00 126.32 3dyg n LEU 64 Ca -0.07 -4.91 -0.17 0.00 -1.11 0.00 0.00 56.01 49.74 3dyg n LEU 64 Cb 0.42 -0.77 -0.13 0.00 0.53 0.00 0.00 43.42 43.47 3dyg n LEU 64 CO 0.40 1.94 0.11 -2.24 -1.11 0.00 0.00 177.39 176.49 3dyg h ASP 74 N 2.67 0.19 0.00 1.96 2.03 -2.05 -3.48 116.42 117.73 3dyg h ASP 74 Ca 0.46 -0.92 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 3dyg h ASP 74 Cb 0.57 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 3dyg h ASP 74 CO 1.18 1.23 0.00 0.61 -1.03 0.00 0.00 179.24 181.23 3dyg n GLY 75 N 1.62 0.61 0.10 7.15 0.00 -1.26 -4.60 105.19 108.82 3dyg n GLY 75 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 3dyg n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dyg h ALA 76 N 0.00 0.14 -0.88 4.61 0.00 -2.05 -3.11 119.26 117.97 3dyg h ALA 76 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 54.91 53.97 3dyg h ALA 76 Cb 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3dyg h ALA 76 CO 0.00 1.02 0.47 -0.09 0.00 0.00 0.00 179.25 180.65 3dyg h ARG 77 N 0.07 1.24 -0.78 0.00 2.43 -1.99 0.31 114.38 115.66 3dyg h ARG 77 Ca -0.14 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.83 3dyg h ARG 77 Cb 1.96 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 31.24 3dyg h ARG 77 CO 0.19 0.91 0.29 -0.09 -1.51 0.00 0.00 179.97 179.77 3dyg h ARG 78 N 1.24 1.17 0.33 0.20 2.43 -1.83 0.18 114.38 118.09 3dyg h ARG 78 Ca 0.31 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3dyg h ARG 78 Cb 0.05 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3dyg h ARG 78 CO -0.05 0.96 -0.16 0.87 -1.51 0.00 0.00 179.97 180.08 3dyg h LYS 79 N 1.14 -0.42 0.21 0.20 6.56 -1.17 -1.09 116.57 122.00 3dyg h LYS 79 Ca 0.26 0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.87 3dyg h LYS 79 Cb 0.24 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 3dyg h LYS 79 CO -0.02 -0.21 -0.15 -0.09 -2.06 0.00 0.00 179.45 176.93 3dyg h ARG 80 N -0.55 -0.34 -0.76 3.15 2.43 -0.20 -1.00 114.38 117.10 3dyg h ARG 80 Ca -0.04 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3dyg h ARG 80 Cb 0.41 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 3dyg h ARG 80 CO 0.07 -0.23 0.46 0.28 -1.51 0.00 0.00 179.97 179.05 3dyg h VAL 81 N -0.35 1.04 -0.07 0.20 2.07 -0.65 0.16 116.25 118.64 3dyg h VAL 81 Ca -0.01 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 3dyg h VAL 81 Cb 0.31 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3dyg h VAL 81 CO 0.00 0.16 -0.59 -0.07 0.02 0.00 0.00 177.57 177.09 3dyg h LEU 82 N 0.87 0.25 -0.33 2.57 3.38 -1.07 -1.19 115.31 119.79 3dyg h LEU 82 Ca 0.33 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 3dyg h LEU 82 Cb 0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3dyg h LEU 82 CO -0.15 0.78 -0.48 -0.74 0.09 0.00 0.00 178.44 177.94 3dyg h HIS 83 N 0.16 1.11 -0.25 1.13 2.76 -0.64 -1.19 115.15 118.23 3dyg h HIS 83 Ca -0.00 -0.37 -0.06 0.00 -2.20 0.00 0.00 60.37 57.74 3dyg h HIS 83 Cb 1.08 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 3dyg h HIS 83 CO 0.02 1.20 -0.11 -0.44 -1.30 0.00 0.00 177.93 177.30 3dyg h ASP 84 N 0.69 0.39 -0.50 3.26 3.32 -0.88 -2.03 116.42 120.67 3dyg h ASP 84 Ca 0.03 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 3dyg h ASP 84 Cb 1.08 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3dyg h ASP 84 CO 0.11 0.53 0.03 0.00 -1.72 0.00 0.00 179.24 178.19 3dyg h ALA 85 N 1.51 0.67 -0.64 3.45 0.00 -0.89 -1.46 119.26 121.90 3dyg h ALA 85 Ca 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3dyg h ALA 85 Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3dyg h ALA 85 CO 0.02 0.45 0.29 0.00 0.00 0.00 0.00 179.25 180.01 3dyg h VAL 87 N 0.90 1.20 -0.08 0.00 2.07 -1.21 -1.98 116.25 117.14 3dyg h VAL 87 Ca 0.22 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3dyg h VAL 87 Cb 0.16 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3dyg h VAL 87 CO -0.02 0.22 -0.10 0.00 0.02 0.00 0.00 177.57 177.70 3dyg h GLY 89 N 0.51 0.96 1.78 0.00 0.00 -0.39 -2.44 103.07 103.49 3dyg h GLY 89 Ca 0.03 -0.65 -0.16 0.00 0.00 0.00 0.00 47.33 46.55 3dyg h GLY 89 CO 0.01 0.60 -0.66 1.49 0.00 0.00 0.00 176.54 177.98 3dyg h TRP 90 N 0.77 0.29 -0.63 5.60 4.06 -0.74 0.49 115.95 125.80 3dyg h TRP 90 Ca 0.16 -0.12 0.06 0.00 2.06 0.00 0.00 58.89 61.05 3dyg h TRP 90 Cb 0.43 -0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 28.48 3dyg h TRP 90 CO 0.03 0.82 0.33 0.52 -3.56 0.00 0.00 178.44 176.58 3dyg h MET 91 N 0.16 0.60 -0.16 0.49 2.86 -0.88 1.37 114.93 119.37 3dyg h MET 91 Ca -0.01 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 3dyg h MET 91 Cb 1.20 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 3dyg h MET 91 CO 0.10 0.39 -0.09 0.82 1.06 0.00 0.00 176.91 179.20 3dyg h ILE 92 N 0.61 1.32 -0.40 -1.22 2.04 -1.22 0.15 117.51 118.79 3dyg h ILE 92 Ca 0.28 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 3dyg h ILE 92 Cb 0.20 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3dyg h ILE 92 CO -0.19 0.34 0.14 -0.33 0.00 0.00 0.00 178.15 178.11 3dyg h GLU 93 N -0.00 0.57 -0.01 2.37 4.39 -0.14 0.40 114.58 122.16 3dyg h GLU 93 Ca 0.03 -0.08 -0.19 0.00 0.34 0.00 0.00 59.36 59.46 3dyg h GLU 93 Cb 0.57 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 3dyg h GLU 93 CO 0.03 0.49 -0.84 0.74 -1.16 0.00 0.00 179.01 178.26 3dyg h PHE 94 N 0.56 0.34 -0.22 4.33 -1.00 0.19 -1.55 116.94 119.60 3dyg h PHE 94 Ca 0.14 -0.18 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 3dyg h PHE 94 Cb 0.14 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 3dyg h PHE 94 CO 0.01 0.97 0.09 1.25 -1.61 0.00 0.00 178.31 179.02 3dyg h LEU 95 N 0.14 0.29 -0.82 1.54 5.85 0.09 -1.73 115.31 120.68 3dyg h LEU 95 Ca -0.04 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 3dyg h LEU 95 Cb 1.46 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 3dyg h LEU 95 CO 0.13 0.36 0.39 -0.61 -0.34 0.00 0.00 178.44 178.37 3dyg h GLN 96 N 0.21 1.18 -0.66 1.25 4.15 -0.91 -2.30 115.11 118.03 3dyg h GLN 96 Ca 0.07 -0.18 0.05 0.00 0.77 0.00 0.00 58.65 59.36 3dyg h GLN 96 Cb 0.15 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 27.58 3dyg h GLN 96 CO -0.01 0.91 0.38 0.00 -1.93 0.00 0.00 178.83 178.19 3dyg h ALA 97 N 1.21 0.87 -0.11 3.38 0.00 -0.96 0.50 119.26 124.15 3dyg h ALA 97 Ca 0.28 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3dyg h ALA 97 Cb 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3dyg h ALA 97 CO -0.03 0.09 -0.05 1.25 0.00 0.00 0.00 179.25 180.50 3dyg h HIS 98 N 0.73 -0.13 -0.15 0.00 -0.00 -0.86 -1.29 115.15 113.46 3dyg h HIS 98 Ca 0.28 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.58 3dyg h HIS 98 Cb 0.12 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 3dyg h HIS 98 CO -0.07 -0.09 -0.26 1.88 -0.00 0.00 0.00 177.93 179.39 3dyg h TYR 99 N -0.05 0.30 -0.32 5.26 0.05 -0.87 -2.86 116.97 118.48 3dyg h TYR 99 Ca 0.06 -0.06 -0.16 0.00 0.05 0.00 0.00 58.73 58.62 3dyg h TYR 99 Cb 0.14 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 3dyg h TYR 99 CO -0.18 0.52 -0.45 -0.07 -1.05 0.00 0.00 178.16 176.94 3dyg h LEU 100 N 0.24 0.91 -0.09 3.88 3.38 -0.53 0.34 115.31 123.44 3dyg h LEU 100 Ca 0.04 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3dyg h LEU 100 Cb 0.60 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3dyg h LEU 100 CO 0.04 1.22 0.05 0.58 0.09 0.00 0.00 178.44 180.42 3dyg h VAL 101 N 0.67 1.01 -0.41 1.22 2.07 -1.14 -0.09 116.25 119.59 3dyg h VAL 101 Ca 0.04 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 3dyg h VAL 101 Cb 1.03 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3dyg h VAL 101 CO 0.10 0.02 -0.22 -0.33 0.02 0.00 0.00 177.57 177.17 3dyg h GLU 102 N 0.11 0.86 -0.27 1.57 4.39 -1.44 -3.12 114.58 116.68 3dyg h GLU 102 Ca 0.03 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.36 3dyg h GLU 102 Cb -0.01 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3dyg h GLU 102 CO -0.01 1.03 0.16 0.22 -1.16 0.00 0.00 179.01 179.25 3dyg h ASP 103 N 0.68 0.27 -0.98 1.42 3.58 -0.12 -1.08 116.42 120.20 3dyg h ASP 103 Ca 0.09 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.60 3dyg h ASP 103 Cb 0.78 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.71 3dyg h ASP 103 CO 0.06 0.20 0.63 0.44 -2.88 0.00 0.00 179.24 177.69 3dyg h ASP 104 N 0.34 1.02 -0.13 2.28 3.32 -1.02 0.50 116.42 122.72 3dyg h ASP 104 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3dyg h ASP 104 Cb -0.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3dyg h ASP 104 CO -0.04 0.66 0.02 0.40 -1.72 0.00 0.00 179.24 178.56 3dyg h ILE 105 N 1.16 1.21 -0.26 0.35 2.04 -1.39 0.05 117.51 120.67 3dyg h ILE 105 Ca 0.41 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3dyg h ILE 105 Cb 0.13 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3dyg h ILE 105 CO -0.15 0.19 0.03 0.24 0.00 0.00 0.00 178.15 178.46 3dyg h MET 106 N -0.01 0.37 -0.02 2.37 2.86 -0.30 -2.27 114.93 117.94 3dyg h MET 106 Ca 0.04 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3dyg h MET 106 Cb 0.28 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3dyg h MET 106 CO 0.00 0.38 -0.11 -0.25 1.06 0.00 0.00 176.91 177.98 3dyg n ASP 107 N -4.36 1.81 -3.14 1.22 8.00 0.17 -4.95 116.55 115.29 3dyg n ASP 107 Ca 0.01 -1.48 -0.23 0.00 0.71 0.00 0.00 54.79 53.80 3dyg n ASP 107 Cb 0.18 0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.39 3dyg n ASP 107 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3dyg n ASN 108 N 0.24 -5.36 -4.79 -2.24 5.15 -0.14 -4.94 115.26 103.18 3dyg n ASN 108 Ca 0.15 -0.32 -0.33 0.00 -0.60 0.00 0.00 54.58 53.48 3dyg n ASN 108 Cb 0.42 -4.35 0.01 0.00 -0.53 0.00 0.00 39.78 35.33 3dyg n ASN 108 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3dyg s SER 109 N -2.72 5.73 -0.26 1.20 0.01 -0.39 -5.02 113.70 112.26 3dyg s SER 109 Ca 0.34 1.90 -0.01 0.00 1.31 0.00 0.00 55.95 59.50 3dyg s SER 109 Cb -0.16 -2.55 -0.17 0.00 0.21 0.00 0.00 66.02 63.36 3dyg s SER 109 CO 0.42 -1.20 -0.22 0.52 0.41 0.00 0.00 173.24 173.17 3dyg n VAL 110 N -1.87 1.51 -4.19 3.43 0.31 -1.26 -4.77 118.33 111.48 3dyg n VAL 110 Ca 0.09 -0.54 -0.11 0.00 -0.01 0.00 0.00 64.34 63.76 3dyg n VAL 110 Cb 0.52 -1.50 -0.10 0.00 -0.91 0.00 0.00 33.84 31.85 3dyg n VAL 110 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3dyg s THR 111 N -2.52 0.67 -0.21 2.52 -4.23 -1.26 -1.68 115.64 108.93 3dyg s THR 111 Ca -0.35 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 58.06 3dyg s THR 111 Cb 0.10 -1.84 0.06 0.00 1.34 0.00 0.00 72.50 72.16 3dyg s THR 111 CO 0.59 -0.73 0.52 -0.60 -0.54 0.00 0.00 174.62 173.86 3dyg s ARG 112 N -3.87 0.56 -1.63 3.99 3.52 0.42 -4.22 118.95 117.71 3dyg s ARG 112 Ca 0.16 0.87 0.00 0.00 -0.13 0.00 0.00 55.73 56.63 3dyg s ARG 112 Cb 0.06 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 3dyg s ARG 112 CO -0.02 -0.12 0.00 0.54 -0.81 0.00 0.00 175.30 174.89 3dyg n ARG 113 N 3.69 -1.75 -0.53 5.12 1.74 -0.62 -2.17 116.66 122.14 3dyg n ARG 113 Ca -0.19 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 3dyg n ARG 113 Cb 0.57 -5.48 0.00 0.00 -1.02 0.00 0.00 32.46 26.52 3dyg n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dyg n GLY 114 N -0.78 0.73 3.46 -0.13 0.00 0.30 -4.99 105.19 103.79 3dyg n GLY 114 Ca -0.20 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3dyg n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dyg s LYS 115 N -0.47 1.63 0.48 1.61 -2.85 -0.92 -5.09 119.74 114.13 3dyg s LYS 115 Ca 0.00 -1.55 -0.24 0.00 -1.00 0.00 0.00 55.97 53.18 3dyg s LYS 115 Cb 0.00 0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 36.11 3dyg s LYS 115 CO 0.00 -0.65 1.36 -2.30 0.10 0.00 0.00 175.35 173.86 3dyg n PRO 116 N -0.44 1.96 -0.89 1.78 -0.02 -1.26 -0.44 135.00 135.69 3dyg n PRO 116 Ca 0.00 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.87 3dyg n PRO 116 Cb 0.63 -2.55 0.15 0.00 -0.02 0.00 0.00 33.50 31.70 3dyg n PRO 116 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dyg h TRP 118 N -1.40 -0.17 0.00 0.00 2.91 -1.92 0.13 115.95 115.50 3dyg h TRP 118 Ca -0.45 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.60 3dyg h TRP 118 Cb 1.29 0.12 0.00 0.00 -0.51 0.00 0.00 29.16 30.06 3dyg h TRP 118 CO 0.47 -0.13 0.00 2.48 -1.03 0.00 0.00 178.44 180.23 3dyg n TYR 119 N -5.25 0.00 1.04 2.65 4.11 -1.26 -1.57 117.16 116.87 3dyg n TYR 119 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.01 3dyg n TYR 119 Cb 0.17 -0.31 0.07 0.00 -0.00 0.00 0.00 39.34 39.26 3dyg n TYR 119 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3dyg n ARG 120 N -1.31 1.28 -2.23 -3.48 5.12 0.43 -4.56 116.66 111.90 3dyg n ARG 120 Ca 0.04 -1.03 -0.41 0.00 -1.93 0.00 0.00 57.85 54.52 3dyg n ARG 120 Cb 0.07 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 29.87 3dyg n ARG 120 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3dyg s HIS 121 N -2.42 3.23 0.19 -1.55 3.76 -0.61 -4.84 115.29 113.04 3dyg s HIS 121 Ca 0.21 1.49 -0.24 0.00 -0.15 0.00 0.00 55.06 56.37 3dyg s HIS 121 Cb 0.18 -3.55 0.09 0.00 1.11 0.00 0.00 32.58 30.41 3dyg s HIS 121 CO 0.53 -1.45 1.55 -1.35 -0.85 0.00 0.00 174.74 173.18 3dyg h PRO 122 N 3.64 -0.07 -0.95 8.40 0.11 -1.92 -1.22 132.00 139.99 3dyg h PRO 122 Ca -0.48 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 3dyg h PRO 122 Cb 1.22 0.02 -0.18 0.00 0.11 0.00 0.00 31.00 32.16 3dyg h PRO 122 CO 0.67 -0.05 0.39 -3.47 -0.21 0.00 0.00 178.00 175.33 3dyg n ASP 123 N -5.39 3.66 -4.08 -2.05 -0.08 -1.26 -4.74 116.55 102.62 3dyg n ASP 123 Ca 0.05 -3.06 -0.33 0.00 -1.51 0.00 0.00 54.79 49.94 3dyg n ASP 123 Cb 0.34 -0.72 -0.14 0.00 2.34 0.00 0.00 41.12 42.95 3dyg n ASP 123 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3dyg s VAL 124 N -2.31 2.72 0.71 5.18 1.01 -0.46 -5.10 120.40 122.14 3dyg s VAL 124 Ca 0.40 -2.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.20 3dyg s VAL 124 Cb 0.33 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.88 3dyg s VAL 124 CO 0.08 -0.52 1.09 0.42 0.00 0.00 0.00 175.10 176.18 3dyg s THR 125 N 1.05 3.44 0.16 3.92 -4.23 -1.26 -4.54 115.64 114.17 3dyg s THR 125 Ca 0.06 0.55 -0.14 0.00 -1.18 0.00 0.00 61.69 60.99 3dyg s THR 125 Cb -0.21 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.59 3dyg s THR 125 CO -0.05 -0.53 1.72 0.58 -0.54 0.00 0.00 174.62 175.79 3dyg h VAL 126 N -0.54 1.21 -0.65 2.29 2.07 -1.97 -0.02 116.25 118.64 3dyg h VAL 126 Ca -0.45 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 66.49 3dyg h VAL 126 Cb 1.23 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3dyg h VAL 126 CO 0.54 0.24 0.38 0.06 0.02 0.00 0.00 177.57 178.80 3dyg h GLN 127 N 0.68 0.69 -0.01 1.57 -0.00 -1.98 -0.52 115.11 115.54 3dyg h GLN 127 Ca 0.17 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.65 58.64 3dyg h GLN 127 Cb 0.18 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.48 27.48 3dyg h GLN 127 CO -0.02 0.45 -0.67 0.00 -0.00 0.00 0.00 178.83 178.60 3dyg h ALA 129 N 1.31 0.98 -0.33 0.00 0.00 0.14 0.31 119.26 121.66 3dyg h ALA 129 Ca -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3dyg h ALA 129 Cb 1.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3dyg h ALA 129 CO 0.09 0.66 0.20 0.82 0.00 0.00 0.00 179.25 181.02 3dyg h ILE 130 N 1.04 1.05 -0.22 0.00 2.04 -1.07 -1.61 117.51 118.74 3dyg h ILE 130 Ca 0.21 -0.14 -0.14 0.00 1.00 0.00 0.00 64.86 65.80 3dyg h ILE 130 Cb 0.38 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3dyg h ILE 130 CO 0.00 0.07 -0.44 -1.13 0.00 0.00 0.00 178.15 176.66 3dyg h ASN 131 N 0.41 0.57 -0.56 1.72 -1.24 -1.41 -2.41 115.58 112.66 3dyg h ASN 131 Ca 0.13 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.88 3dyg h ASN 131 Cb -0.01 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 3dyg h ASN 131 CO -0.05 0.93 0.37 0.44 -1.29 0.00 0.00 177.43 177.82 3dyg h ASP 132 N 0.43 0.65 -0.42 1.15 3.32 -0.10 -0.33 116.42 121.10 3dyg h ASP 132 Ca 0.03 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.08 3dyg h ASP 132 Cb 0.94 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 3dyg h ASP 132 CO 0.08 0.47 0.25 1.23 -1.72 0.00 0.00 179.24 179.55 3dyg h GLY 133 N 0.77 0.59 1.12 2.75 0.00 -0.80 -2.05 103.07 105.45 3dyg h GLY 133 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3dyg h GLY 133 CO -0.04 0.16 0.54 1.41 0.00 0.00 0.00 176.54 178.60 3dyg h LEU 134 N 0.50 1.03 -0.63 3.11 3.38 -0.91 -2.37 115.31 119.42 3dyg h LEU 134 Ca 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dyg h LEU 134 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3dyg h LEU 134 CO -0.08 0.78 0.40 -0.07 0.09 0.00 0.00 178.44 179.55 3dyg h LEU 135 N 1.19 0.74 -0.96 1.67 3.38 -0.59 -1.99 115.31 118.76 3dyg h LEU 135 Ca 0.31 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.35 3dyg h LEU 135 Cb -0.07 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.41 3dyg h LEU 135 CO -0.06 0.57 0.60 -0.07 0.09 0.00 0.00 178.44 179.56 3dyg h LEU 136 N 0.85 0.88 -0.19 1.67 3.38 -0.85 -1.12 115.31 119.93 3dyg h LEU 136 Ca 0.23 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 3dyg h LEU 136 Cb -0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3dyg h LEU 136 CO -0.05 0.49 -0.24 0.50 0.09 0.00 0.00 178.44 179.24 3dyg h LYS 137 N 0.97 0.50 -0.83 1.13 3.64 -1.32 -3.08 116.57 117.59 3dyg h LYS 137 Ca 0.46 -0.28 0.10 0.00 -1.27 0.00 0.00 60.65 59.66 3dyg h LYS 137 Cb 0.42 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 3dyg h LYS 137 CO -0.25 0.87 0.54 0.77 -2.27 0.00 0.00 179.45 179.11 3dyg h SER 138 N 0.16 0.71 0.28 4.20 0.02 -0.74 -0.76 113.55 117.42 3dyg h SER 138 Ca 0.02 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3dyg h SER 138 Cb 0.80 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 3dyg h SER 138 CO 0.06 0.42 -0.10 -0.50 -1.14 0.00 0.00 176.83 175.56 3dyg h TRP 139 N 0.78 0.00 -0.41 3.45 6.55 -1.13 -0.60 115.95 124.59 3dyg h TRP 139 Ca 0.38 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.17 3dyg h TRP 139 Cb 0.43 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.71 3dyg h TRP 139 CO -0.00 0.10 0.05 1.79 -1.05 0.00 0.00 178.44 179.33 3dyg h THR 140 N 0.00 1.25 -0.35 1.49 1.35 -1.14 -0.90 112.91 114.61 3dyg h THR 140 Ca -0.00 -0.92 -0.15 0.00 -0.55 0.00 0.00 66.41 64.79 3dyg h THR 140 Cb 0.27 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3dyg h THR 140 CO 0.01 0.32 -0.38 0.45 -0.25 0.00 0.00 175.52 175.67 3dyg h HIS 141 N 0.54 1.06 -0.25 4.73 3.86 -1.41 -2.00 115.15 121.68 3dyg h HIS 141 Ca 0.12 -0.33 0.01 0.00 -1.16 0.00 0.00 60.37 59.02 3dyg h HIS 141 Cb 0.40 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 3dyg h HIS 141 CO 0.03 1.14 0.14 0.52 0.86 0.00 0.00 177.93 180.62 3dyg h MET 142 N 0.67 0.29 -0.54 2.45 2.07 -0.96 -0.97 114.93 117.95 3dyg h MET 142 Ca 0.05 -0.02 -0.10 0.00 -2.07 0.00 0.00 59.70 57.56 3dyg h MET 142 Cb 0.97 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.62 3dyg h MET 142 CO 0.09 0.19 -0.07 0.00 1.07 0.00 0.00 176.91 178.19 3dyg h MET 143 N 0.30 0.98 -0.83 1.72 -0.00 -1.18 -1.68 114.93 114.25 3dyg h MET 143 Ca 0.10 -0.33 0.00 0.00 -0.00 0.00 0.00 59.70 59.47 3dyg h MET 143 Cb -0.01 -0.08 -0.04 0.00 -0.00 0.00 0.00 31.60 31.48 3dyg h MET 143 CO -0.04 1.00 0.52 0.00 -0.00 0.00 0.00 176.91 178.39 3dyg h ALA 144 N 1.03 1.05 -0.28 -3.00 0.00 -0.99 -1.09 119.26 115.98 3dyg h ALA 144 Ca 0.15 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3dyg h ALA 144 Cb 0.61 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3dyg h ALA 144 CO 0.04 0.49 -0.48 1.98 0.00 0.00 0.00 179.25 181.28 3dyg h MET 145 N 1.13 0.75 -0.48 0.00 -1.53 -1.02 0.27 114.93 114.05 3dyg h MET 145 Ca 0.30 -0.43 -0.07 0.00 -3.44 0.00 0.00 59.70 56.06 3dyg h MET 145 Cb -0.08 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 30.98 3dyg h MET 145 CO -0.06 1.06 0.03 1.25 0.14 0.00 0.00 176.91 179.33 3dyg h HIS 146 N 0.59 0.82 0.00 1.39 6.17 -0.78 -2.87 115.15 120.47 3dyg h HIS 146 Ca 0.03 -0.10 -0.36 0.00 0.71 0.00 0.00 60.37 60.65 3dyg h HIS 146 Cb 1.04 -0.23 -0.07 0.00 2.52 0.00 0.00 27.41 30.68 3dyg h HIS 146 CO 0.06 0.74 -2.30 1.19 0.71 0.00 0.00 177.93 178.33 3dyg n PHE 147 N -4.23 0.14 -0.49 5.26 3.72 -0.46 -4.58 117.46 116.82 3dyg n PHE 147 Ca 0.03 0.05 0.07 0.00 -0.05 0.00 0.00 57.45 57.55 3dyg n PHE 147 Cb 0.28 -1.03 0.23 0.00 -0.94 0.00 0.00 39.48 38.02 3dyg n PHE 147 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3dyg n PHE 148 N -2.82 0.82 -0.34 1.38 3.72 0.08 -4.71 117.46 115.58 3dyg n PHE 148 Ca -0.32 -0.62 0.19 0.00 -0.05 0.00 0.00 57.45 56.66 3dyg n PHE 148 Cb 1.14 -0.14 0.42 0.00 -0.94 0.00 0.00 39.48 39.95 3dyg n PHE 148 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dyg h ALA 149 N 2.49 1.87 -0.02 4.37 0.00 -1.64 -1.50 119.26 124.82 3dyg h ALA 149 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dyg h ALA 149 Cb 1.08 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3dyg h ALA 149 CO 0.10 -0.37 -0.08 -0.25 0.00 0.00 0.00 179.25 178.66 3dyg n ASP 150 N -4.90 2.31 -4.73 0.00 8.00 -1.26 -4.95 116.55 111.03 3dyg n ASP 150 Ca 0.28 -1.72 -0.41 0.00 0.71 0.00 0.00 54.79 53.65 3dyg n ASP 150 Cb 0.81 0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.94 3dyg n ASP 150 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dyg s ARG 151 N -2.09 4.64 0.59 -1.24 1.81 -0.57 -4.93 118.95 117.17 3dyg s ARG 151 Ca 0.29 1.50 0.36 0.00 -1.72 0.00 0.00 55.73 56.16 3dyg s ARG 151 Cb 0.20 -3.38 1.83 0.00 -0.45 0.00 0.00 34.95 33.15 3dyg s ARG 151 CO 0.36 0.12 2.18 -1.35 -0.68 0.00 0.00 175.30 175.92 3dyg h PRO 152 N 5.83 0.00 -0.01 3.54 0.11 -1.92 -2.30 132.00 137.26 3dyg h PRO 152 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3dyg h PRO 152 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dyg h PRO 152 CO 0.73 0.04 -0.10 1.97 -0.21 0.00 0.00 178.00 180.42 3dyg n PHE 153 N -3.29 0.00 -0.12 0.65 1.16 -1.26 -4.41 117.46 110.19 3dyg n PHE 153 Ca -0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.50 3dyg n PHE 153 Cb 0.18 -0.12 0.01 0.00 -1.61 0.00 0.00 39.48 37.94 3dyg n PHE 153 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 3dyg h LEU 154 N 0.94 -0.78 -0.28 5.98 5.85 -1.68 0.25 115.31 125.60 3dyg h LEU 154 Ca 0.00 0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3dyg h LEU 154 Cb 0.37 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 3dyg h LEU 154 CO 0.00 -0.26 0.09 -0.61 -0.34 0.00 0.00 178.44 177.33 3dyg h GLN 155 N -0.16 0.21 -0.51 1.25 4.15 -1.83 -0.91 115.11 117.30 3dyg h GLN 155 Ca 0.19 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 3dyg h GLN 155 Cb 0.46 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3dyg h GLN 155 CO -0.50 0.14 -0.08 0.22 -1.93 0.00 0.00 178.83 176.68 3dyg h ASP 156 N 0.22 0.92 0.47 -0.69 3.58 -1.73 0.13 116.42 119.32 3dyg h ASP 156 Ca 0.12 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 3dyg h ASP 156 Cb 0.09 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.90 3dyg h ASP 156 CO -0.13 1.02 -0.22 0.25 -2.88 0.00 0.00 179.24 177.28 3dyg h LEU 157 N 0.84 -0.53 -1.53 2.28 6.46 -0.22 -2.30 115.31 120.31 3dyg h LEU 157 Ca 0.14 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 3dyg h LEU 157 Cb 0.61 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 3dyg h LEU 157 CO 0.04 -0.29 -0.24 -0.07 -0.62 0.00 0.00 178.44 177.26 3dyg h LEU 158 N -0.76 0.00 -0.36 2.25 3.38 -1.16 -0.57 115.31 118.09 3dyg h LEU 158 Ca -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3dyg h LEU 158 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3dyg h LEU 158 CO 0.11 0.24 -0.05 0.00 0.09 0.00 0.00 178.44 178.82 3dyg h ARG 160 N 0.48 0.48 -0.23 0.00 3.08 -1.12 -2.45 114.38 114.63 3dyg h ARG 160 Ca 0.10 -0.27 0.06 0.00 0.07 0.00 0.00 59.98 59.93 3dyg h ARG 160 Cb 0.54 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 3dyg h ARG 160 CO 0.03 0.86 -0.19 0.35 -1.07 0.00 0.00 179.97 179.95 3dyg h PHE 161 N 0.14 -0.48 -0.61 3.04 3.57 -1.06 -1.00 116.94 120.54 3dyg h PHE 161 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3dyg h PHE 161 Cb 0.79 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 3dyg h PHE 161 CO 0.09 -0.26 0.24 -0.91 -2.23 0.00 0.00 178.31 175.23 3dyg h ASN 162 N -0.19 0.82 -0.42 0.41 -0.26 -1.20 -0.09 115.58 114.64 3dyg h ASN 162 Ca 0.13 -0.11 0.02 0.00 -0.56 0.00 0.00 56.30 55.78 3dyg h ASN 162 Cb 0.39 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.41 3dyg h ASN 162 CO -0.34 0.74 0.25 0.03 -1.06 0.00 0.00 177.43 177.06 3dyg h ARG 163 N 0.88 0.50 -0.17 0.81 2.47 -0.86 0.02 114.38 118.03 3dyg h ARG 163 Ca 0.21 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.75 3dyg h ARG 163 Cb 0.18 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3dyg h ARG 163 CO -0.02 0.33 -0.50 0.28 0.56 0.00 0.00 179.97 180.62 3dyg h VAL 164 N 0.51 1.33 -0.27 2.04 2.07 -0.74 -0.49 116.25 120.70 3dyg h VAL 164 Ca 0.17 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 65.98 3dyg h VAL 164 Cb -0.00 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3dyg h VAL 164 CO -0.07 0.53 0.08 -0.78 0.02 0.00 0.00 177.57 177.36 3dyg h ASP 165 N 0.36 0.08 -0.51 0.57 3.58 -0.59 -1.74 116.42 118.17 3dyg h ASP 165 Ca 0.01 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.52 3dyg h ASP 165 Cb 1.01 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 3dyg h ASP 165 CO 0.09 0.08 0.31 0.22 -2.88 0.00 0.00 179.24 177.06 3dyg h TYR 166 N 0.20 0.58 -0.34 0.28 3.20 -0.61 -2.43 116.97 117.85 3dyg h TYR 166 Ca 0.12 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3dyg h TYR 166 Cb 0.10 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 3dyg h TYR 166 CO -0.14 0.33 0.10 1.79 -1.64 0.00 0.00 178.16 178.61 3dyg h THR 167 N 0.61 1.15 -0.03 1.81 1.35 -0.72 -1.07 112.91 116.02 3dyg h THR 167 Ca 0.20 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3dyg h THR 167 Cb 0.01 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 67.22 3dyg h THR 167 CO -0.09 0.19 0.00 0.74 -0.25 0.00 0.00 175.52 176.11 3dyg h THR 168 N 0.48 1.23 -0.96 6.82 2.02 -0.87 0.03 112.91 121.67 3dyg h THR 168 Ca 0.12 -0.70 0.09 0.00 0.77 0.00 0.00 66.41 66.69 3dyg h THR 168 Cb 0.16 1.66 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 3dyg h THR 168 CO -0.01 0.19 0.60 0.00 0.37 0.00 0.00 175.52 176.67 3dyg h ALA 169 N 0.72 1.37 -0.47 6.16 0.00 -1.01 0.18 119.26 126.21 3dyg h ALA 169 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3dyg h ALA 169 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dyg h ALA 169 CO 0.00 0.30 -0.09 0.28 0.00 0.00 0.00 179.25 179.74 3dyg h VAL 170 N 1.03 1.26 -0.60 0.00 2.07 -1.00 -1.99 116.25 117.03 3dyg h VAL 170 Ca 0.44 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 3dyg h VAL 170 Cb 0.30 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3dyg h VAL 170 CO -0.21 0.41 -0.02 1.23 0.02 0.00 0.00 177.57 178.99 3dyg h GLY 171 N 0.97 1.15 1.40 2.17 0.00 0.70 -2.40 103.07 107.07 3dyg h GLY 171 Ca 0.13 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 3dyg h GLY 171 CO 0.04 0.79 0.30 1.46 0.00 0.00 0.00 176.54 179.12 3dyg h GLN 172 N 0.96 0.79 -0.36 4.80 1.08 -0.42 -0.24 115.11 121.71 3dyg h GLN 172 Ca 0.17 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3dyg h GLN 172 Cb 0.58 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 3dyg h GLN 172 CO 0.03 0.59 0.16 1.25 -0.95 0.00 0.00 178.83 179.92 3dyg h LEU 173 N 0.79 0.49 -1.02 1.46 5.85 -0.97 -0.95 115.31 120.96 3dyg h LEU 173 Ca 0.20 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3dyg h LEU 173 Cb 0.05 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3dyg h LEU 173 CO -0.03 0.51 0.36 1.88 -0.34 0.00 0.00 178.44 180.82 3dyg h TYR 174 N 0.44 1.05 -0.10 1.25 0.05 -0.87 -2.24 116.97 116.55 3dyg h TYR 174 Ca 0.12 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 3dyg h TYR 174 Cb 0.16 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.57 3dyg h TYR 174 CO -0.01 0.76 -0.01 0.22 -1.05 0.00 0.00 178.16 178.07 3dyg h ASP 175 N 1.05 0.19 1.10 3.88 3.58 -0.78 -2.80 116.42 122.64 3dyg h ASP 175 Ca 0.26 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.36 3dyg h ASP 175 Cb 0.10 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3dyg h ASP 175 CO -0.03 0.49 0.00 0.55 -2.88 0.00 0.00 179.24 177.36 3dyg n VAL 176 N -4.79 0.36 -0.73 2.25 3.14 -0.39 -3.23 118.33 114.95 3dyg n VAL 176 Ca -0.06 -0.06 0.07 0.00 -2.96 0.00 0.00 64.34 61.33 3dyg n VAL 176 Cb 0.22 -0.62 0.14 0.00 -1.06 0.00 0.00 33.84 32.52 3dyg n VAL 176 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3dyg n THR 177 N -1.81 1.70 0.19 1.55 -2.24 -0.85 -4.67 114.28 108.14 3dyg n THR 177 Ca 0.06 -1.77 0.08 0.00 -2.27 0.00 0.00 64.05 60.14 3dyg n THR 177 Cb 0.35 -0.01 0.16 0.00 -2.10 0.00 0.00 70.33 68.73 3dyg n THR 177 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dyg h SER 178 N 0.62 0.00 -0.24 3.42 4.64 -1.46 -3.22 113.55 117.31 3dyg h SER 178 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dyg h SER 178 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3dyg h SER 178 CO 0.05 0.25 0.00 0.23 -0.87 0.00 0.00 176.83 176.49 3dyg n MET 179 N -3.19 1.89 -4.67 4.77 0.00 -1.26 -4.82 117.12 109.84 3dyg n MET 179 Ca 0.03 -1.34 -0.33 0.00 0.00 0.00 0.00 57.70 56.05 3dyg n MET 179 Cb 0.60 -1.40 -0.15 0.00 0.00 0.00 0.00 33.22 32.27 3dyg n MET 179 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3dyg s PHE 180 N -1.69 2.76 -0.41 2.03 0.08 -1.22 0.14 117.98 119.67 3dyg s PHE 180 Ca 0.32 -0.96 -0.33 0.00 0.12 0.00 0.00 56.93 56.09 3dyg s PHE 180 Cb 0.18 -1.86 -0.11 0.00 -0.57 0.00 0.00 43.02 40.66 3dyg s PHE 180 CO 0.26 -0.41 2.27 -3.47 -0.10 0.00 0.00 175.22 173.76 3dyg n ASP 181 N 3.88 2.15 0.29 1.36 2.03 -1.26 -4.80 116.55 120.19 3dyg n ASP 181 Ca -0.19 0.23 0.16 0.00 0.52 0.00 0.00 54.79 55.51 3dyg n ASP 181 Cb 0.52 -1.32 0.92 0.00 -0.72 0.00 0.00 41.12 40.53 3dyg n ASP 181 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3dyg h SER 182 N 13.73 0.00 0.23 1.67 4.64 -1.94 -0.88 113.55 131.00 3dyg h SER 182 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 3dyg h SER 182 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3dyg h SER 182 CO 1.06 0.00 -0.07 0.78 -0.87 0.00 0.00 176.83 177.74 3dyg h ASN 183 N 0.00 0.00 -0.33 4.97 4.21 -2.01 -1.39 115.58 121.02 3dyg h ASN 183 Ca 0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.52 3dyg h ASN 183 Cb 0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 3dyg h ASN 183 CO -0.00 0.07 0.00 0.29 -1.29 0.00 0.00 177.43 176.50 3dyg n LYS 184 N -3.67 2.27 -1.68 0.81 5.02 -0.35 -4.94 118.16 115.63 3dyg n LYS 184 Ca -0.02 -2.00 -0.43 0.00 -2.02 0.00 0.00 58.31 53.84 3dyg n LYS 184 Cb 0.17 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 3dyg n LYS 184 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3dyg s LEU 185 N -1.11 3.78 -0.30 -0.35 0.20 -0.53 -4.90 118.68 115.49 3dyg s LEU 185 Ca 0.28 2.08 0.04 0.00 0.69 0.00 0.00 54.13 57.22 3dyg s LEU 185 Cb 0.16 -3.52 0.18 0.00 -0.43 0.00 0.00 46.19 42.58 3dyg s LEU 185 CO 0.22 -1.62 0.48 -0.62 -0.29 0.00 0.00 176.35 174.52 3dyg s ASP 186 N 6.71 -0.41 0.19 3.68 -1.08 -1.26 -5.05 116.67 119.46 3dyg s ASP 186 Ca 0.94 -0.22 0.07 0.00 -0.52 0.00 0.00 52.55 52.82 3dyg s ASP 186 Cb -0.35 1.47 0.60 0.00 -1.46 0.00 0.00 42.92 43.17 3dyg s ASP 186 CO 0.37 -0.33 0.88 -2.65 0.52 0.00 0.00 175.17 173.96 3dyg n PRO 187 N 5.32 -0.04 0.00 4.34 -0.02 -1.26 0.94 135.00 144.28 3dyg n PRO 187 Ca 0.03 0.80 0.14 0.00 -2.02 0.00 0.00 63.50 62.45 3dyg n PRO 187 Cb 0.51 -1.36 0.59 0.00 -0.02 0.00 0.00 33.50 33.22 3dyg n PRO 187 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3dyg n ASP 188 N -4.47 0.12 -4.04 2.55 8.00 -1.26 -4.80 116.55 112.65 3dyg n ASP 188 Ca 0.17 0.18 -0.29 0.00 0.71 0.00 0.00 54.79 55.56 3dyg n ASP 188 Cb 0.58 -0.31 -0.17 0.00 -0.02 0.00 0.00 41.12 41.20 3dyg n ASP 188 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dyg s VAL 189 N -2.88 1.50 0.70 2.53 1.01 0.27 -5.12 120.40 118.41 3dyg s VAL 189 Ca 0.17 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 3dyg s VAL 189 Cb 0.19 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3dyg s VAL 189 CO 0.54 0.44 1.14 -0.55 0.00 0.00 0.00 175.10 176.67 3dyg s SER 190 N 1.15 4.64 -0.07 3.32 0.15 -1.26 -4.53 113.70 117.10 3dyg s SER 190 Ca -0.03 2.12 -0.24 0.00 0.70 0.00 0.00 55.95 58.50 3dyg s SER 190 Cb -0.14 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.66 3dyg s SER 190 CO -0.04 -1.95 0.54 -1.10 1.20 0.00 0.00 173.24 171.88 3dyg s GLN 191 N -4.11 0.86 0.47 5.44 -1.52 -1.26 -5.07 119.66 114.47 3dyg s GLN 191 Ca 0.69 0.20 0.01 0.00 -1.95 0.00 0.00 55.36 54.31 3dyg s GLN 191 Cb -0.23 0.40 0.01 0.00 -0.22 0.00 0.00 33.01 32.97 3dyg s GLN 191 CO 0.44 -0.24 0.68 -1.25 -0.25 0.00 0.00 175.29 174.68 3dyg s PRO 192 N -0.98 2.92 0.32 2.91 0.04 -1.26 -5.03 135.00 133.92 3dyg s PRO 192 Ca -0.10 -0.63 -0.27 0.00 0.04 0.00 0.00 61.00 60.04 3dyg s PRO 192 Cb -0.02 -2.56 -0.13 0.00 0.04 0.00 0.00 34.50 31.82 3dyg s PRO 192 CO 0.07 -0.37 1.08 2.41 0.04 0.00 0.00 177.00 180.23 3dyg n THR 193 N -2.11 2.05 -1.43 1.26 -1.04 -1.26 -4.74 114.28 107.01 3dyg n THR 193 Ca 0.03 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.14 3dyg n THR 193 Cb 0.58 -1.17 0.01 0.00 -1.82 0.00 0.00 70.33 67.93 3dyg n THR 193 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3dyg n THR 194 N 0.15 1.64 -0.00 12.58 5.66 0.36 -4.92 114.28 129.75 3dyg n THR 194 Ca 0.08 -0.50 0.02 0.00 -3.05 0.00 0.00 64.05 60.60 3dyg n THR 194 Cb 0.34 -0.49 -0.04 0.00 -1.55 0.00 0.00 70.33 68.59 3dyg n THR 194 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3dyg n THR 195 N -1.08 0.04 0.22 1.09 -2.24 -1.26 -4.63 114.28 106.42 3dyg n THR 195 Ca 0.11 -0.13 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 3dyg n THR 195 Cb 0.42 0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.80 3dyg n THR 195 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dyg n ASP 196 N -1.74 0.39 -1.62 3.42 5.75 -1.26 -4.97 116.55 116.52 3dyg n ASP 196 Ca -0.02 -0.06 -0.12 0.00 -0.01 0.00 0.00 54.79 54.57 3dyg n ASP 196 Cb 0.19 1.34 -0.04 0.00 -1.03 0.00 0.00 41.12 41.58 3dyg n ASP 196 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3dyg n PHE 197 N -2.22 -0.65 0.33 2.11 3.72 -1.26 -4.78 117.46 114.71 3dyg n PHE 197 Ca -0.01 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.59 3dyg n PHE 197 Cb 0.52 -2.54 1.10 0.00 -0.94 0.00 0.00 39.48 37.61 3dyg n PHE 197 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dyg h ALA 198 N 0.87 1.14 -0.02 4.37 0.00 -1.99 -1.17 119.26 122.47 3dyg h ALA 198 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3dyg h ALA 198 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3dyg h ALA 198 CO 0.36 -0.10 -0.12 0.39 0.00 0.00 0.00 179.25 179.79 3dyg n GLU 199 N -3.09 1.61 -2.23 0.00 1.02 -1.26 -4.63 120.64 112.06 3dyg n GLU 199 Ca -0.03 -1.14 -0.43 0.00 -0.02 0.00 0.00 57.16 55.55 3dyg n GLU 199 Cb 0.16 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3dyg n GLU 199 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3dyg n PHE 200 N 0.30 3.98 -4.32 -0.32 3.01 -0.44 -4.72 117.46 114.94 3dyg n PHE 200 Ca 0.15 -2.95 -0.27 0.00 1.01 0.00 0.00 57.45 55.39 3dyg n PHE 200 Cb 0.44 -2.46 -0.10 0.00 -0.01 0.00 0.00 39.48 37.34 3dyg n PHE 200 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3dyg s THR 201 N 2.97 2.93 0.49 4.37 -4.23 -1.26 -4.53 115.64 116.38 3dyg s THR 201 Ca 0.48 -1.69 0.16 0.00 -1.18 0.00 0.00 61.69 59.46 3dyg s THR 201 Cb 0.08 -2.42 0.30 0.00 1.34 0.00 0.00 72.50 71.81 3dyg s THR 201 CO -0.01 -0.05 2.08 0.25 -0.54 0.00 0.00 174.62 176.35 3dyg h LEU 202 N 3.19 0.13 -0.10 4.79 5.85 -1.91 0.14 115.31 127.39 3dyg h LEU 202 Ca -0.47 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 3dyg h LEU 202 Cb 1.20 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 3dyg h LEU 202 CO 0.51 0.09 0.05 -1.28 -0.34 0.00 0.00 178.44 177.47 3dyg h SER 203 N 0.15 0.13 0.15 1.25 0.87 -1.95 -1.07 113.55 113.08 3dyg h SER 203 Ca 0.11 -0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 3dyg h SER 203 Cb 0.26 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3dyg h SER 203 CO -0.02 0.18 -0.52 0.78 -0.53 0.00 0.00 176.83 176.72 3dyg h ASN 204 N 0.06 0.46 -0.54 6.23 -0.26 -1.47 -3.14 115.58 116.91 3dyg h ASN 204 Ca 0.04 -0.24 -0.01 0.00 -0.56 0.00 0.00 56.30 55.53 3dyg h ASN 204 Cb 0.09 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.19 3dyg h ASN 204 CO -0.01 0.90 0.29 0.22 -1.06 0.00 0.00 177.43 177.78 3dyg h TYR 205 N 0.32 0.75 -0.66 1.19 3.20 -0.54 -2.69 116.97 118.55 3dyg h TYR 205 Ca 0.01 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3dyg h TYR 205 Cb 1.03 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 3dyg h TYR 205 CO 0.03 0.56 0.41 0.87 -1.64 0.00 0.00 178.16 178.38 3dyg h LYS 206 N 0.73 0.88 -0.13 1.82 1.57 -1.16 -2.40 116.57 117.88 3dyg h LYS 206 Ca 0.19 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3dyg h LYS 206 Cb 0.06 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3dyg h LYS 206 CO -0.03 0.61 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.36 3dyg h ARG 207 N 0.90 0.24 -0.01 3.15 2.43 -1.47 -1.26 114.38 118.36 3dyg h ARG 207 Ca 0.24 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3dyg h ARG 207 Cb -0.06 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 3dyg h ARG 207 CO -0.05 0.50 -0.40 0.82 -1.51 0.00 0.00 179.97 179.33 3dyg h ILE 208 N -0.04 0.18 -0.44 1.20 2.04 -1.18 -2.65 117.51 116.62 3dyg h ILE 208 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3dyg h ILE 208 Cb 0.40 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3dyg h ILE 208 CO 0.01 0.00 0.24 0.58 0.00 0.00 0.00 178.15 178.97 3dyg h VAL 209 N -0.55 1.16 -0.45 1.67 2.07 -1.46 -0.12 116.25 118.57 3dyg h VAL 209 Ca 0.05 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.23 3dyg h VAL 209 Cb 0.64 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3dyg h VAL 209 CO -0.31 0.17 0.00 0.50 0.02 0.00 0.00 177.57 177.95 3dyg h LYS 210 N 0.57 0.11 0.23 1.57 3.64 -1.07 -1.64 116.57 119.98 3dyg h LYS 210 Ca 0.15 -0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 59.19 3dyg h LYS 210 Cb 0.06 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3dyg h LYS 210 CO -0.02 0.07 -1.50 1.88 -2.27 0.00 0.00 179.45 177.61 3dyg h TYR 211 N 0.11 0.87 0.00 1.91 0.05 -1.34 -2.90 116.97 115.67 3dyg h TYR 211 Ca 0.23 -0.64 -0.08 0.00 0.05 0.00 0.00 58.73 58.29 3dyg h TYR 211 Cb 0.33 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 3dyg h TYR 211 CO -0.29 1.54 -0.36 1.57 -1.05 0.00 0.00 178.16 179.57 3dyg h LYS 212 N 0.13 0.00 0.00 4.88 2.10 -1.01 -3.21 116.57 119.45 3dyg h LYS 212 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3dyg h LYS 212 Cb 2.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.46 3dyg h LYS 212 CO 0.25 0.36 -0.77 2.41 -2.00 0.00 0.00 179.45 179.70 3dyg n THR 213 N -3.21 0.04 -0.10 0.07 -1.04 -0.65 -4.83 114.28 104.56 3dyg n THR 213 Ca 0.02 0.01 -0.08 0.00 -2.04 0.00 0.00 64.05 61.96 3dyg n THR 213 Cb 0.66 -1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 67.85 3dyg n THR 213 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dyg h ALA 214 N 0.00 -0.23 0.31 2.41 0.00 -1.28 -0.96 119.26 119.51 3dyg h ALA 214 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dyg h ALA 214 Cb 0.77 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 3dyg h ALA 214 CO 0.00 -0.75 -0.29 1.88 0.00 0.00 0.00 179.25 180.10 3dyg h TYR 215 N -0.28 -0.76 0.00 0.00 0.05 -1.80 -1.11 116.97 113.06 3dyg h TYR 215 Ca 0.16 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.86 3dyg h TYR 215 Cb 0.54 0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 3dyg h TYR 215 CO -0.53 -0.42 -0.41 0.10 -1.05 0.00 0.00 178.16 175.86 3dyg h TYR 216 N -0.62 0.00 0.09 4.88 -0.00 -1.84 -0.12 116.97 119.36 3dyg h TYR 216 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 58.73 58.40 3dyg h TYR 216 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.27 3dyg h TYR 216 CO -0.17 0.41 -1.71 1.15 -0.00 0.00 0.00 178.16 177.84 3dyg h THR 217 N 0.00 0.92 0.00 -0.90 2.02 -1.16 -3.41 112.91 110.37 3dyg h THR 217 Ca -0.00 -2.64 -0.13 0.00 0.77 0.00 0.00 66.41 64.41 3dyg h THR 217 Cb 1.19 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 70.17 3dyg h THR 217 CO 0.05 0.76 -1.36 -1.22 0.37 0.00 0.00 175.52 174.12 3dyg n TYR 218 N -3.35 0.00 0.11 3.16 4.02 -0.43 -4.67 117.16 116.00 3dyg n TYR 218 Ca -0.21 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.55 3dyg n TYR 218 Cb 1.05 -0.28 -0.08 0.00 -0.02 0.00 0.00 39.34 40.00 3dyg n TYR 218 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3dyg h LEU 219 N -0.29 -0.24 -0.72 7.72 6.46 -1.35 -3.20 115.31 123.69 3dyg h LEU 219 Ca -0.19 -0.19 0.12 0.00 -0.12 0.00 0.00 57.88 57.50 3dyg h LEU 219 Cb 1.11 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 41.01 3dyg h LEU 219 CO -0.12 0.06 0.31 0.25 -0.62 0.00 0.00 178.44 178.33 3dyg h LEU 220 N -0.56 0.33 0.03 2.25 5.85 -1.25 0.64 115.31 122.61 3dyg h LEU 220 Ca -0.03 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3dyg h LEU 220 Cb 0.41 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3dyg h LEU 220 CO 0.05 0.16 -0.05 -0.65 -0.34 0.00 0.00 178.44 177.61 3dyg h PRO 221 N 0.49 -0.10 -0.66 5.25 0.11 -1.79 0.10 132.00 135.40 3dyg h PRO 221 Ca 0.38 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 3dyg h PRO 221 Cb 0.50 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 3dyg h PRO 221 CO -0.34 -0.07 0.40 -0.07 -0.21 0.00 0.00 178.00 177.70 3dyg h LEU 222 N -0.11 0.79 -0.10 2.35 3.38 -1.45 -0.94 115.31 119.23 3dyg h LEU 222 Ca 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3dyg h LEU 222 Cb 0.11 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3dyg h LEU 222 CO -0.03 0.62 0.04 0.58 0.09 0.00 0.00 178.44 179.75 3dyg h VAL 223 N 0.89 1.13 -0.08 1.22 2.07 -0.60 -0.08 116.25 120.81 3dyg h VAL 223 Ca 0.24 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 3dyg h VAL 223 Cb -0.03 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3dyg h VAL 223 CO -0.04 0.11 -0.25 0.24 0.02 0.00 0.00 177.57 177.65 3dyg h MET 224 N 0.02 0.13 -0.30 1.57 2.86 -0.63 -1.09 114.93 117.48 3dyg h MET 224 Ca 0.03 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 3dyg h MET 224 Cb 0.14 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3dyg h MET 224 CO -0.00 0.37 -0.15 0.78 1.06 0.00 0.00 176.91 178.97 3dyg h GLY 225 N 0.88 0.68 1.22 8.32 0.00 -0.91 -2.12 103.07 111.13 3dyg h GLY 225 Ca 0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 3dyg h GLY 225 CO 0.04 0.55 0.26 1.41 0.00 0.00 0.00 176.54 178.80 3dyg h LEU 226 N 0.37 0.91 -0.02 3.11 3.38 -0.49 -2.93 115.31 119.65 3dyg h LEU 226 Ca 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3dyg h LEU 226 Cb 0.67 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3dyg h LEU 226 CO 0.04 0.82 -0.00 0.40 0.09 0.00 0.00 178.44 179.79 3dyg h ILE 227 N 0.97 1.29 0.00 1.22 2.04 -1.05 0.03 117.51 122.01 3dyg h ILE 227 Ca 0.23 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3dyg h ILE 227 Cb 0.20 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3dyg h ILE 227 CO -0.02 0.23 0.00 1.33 0.00 0.00 0.00 178.15 179.69 3dyg n VAL 228 N -4.89 0.88 0.09 1.67 0.24 -0.81 -0.67 118.33 114.85 3dyg n VAL 228 Ca -0.08 0.38 0.11 0.00 -2.04 0.00 0.00 64.34 62.71 3dyg n VAL 228 Cb 0.20 -1.33 0.23 0.00 -1.47 0.00 0.00 33.84 31.47 3dyg n VAL 228 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3dyg n SER 229 N -2.27 3.53 -3.76 -1.34 3.41 -1.11 -4.76 113.62 107.32 3dyg n SER 229 Ca 0.01 -1.98 -0.26 0.00 -0.26 0.00 0.00 58.87 56.39 3dyg n SER 229 Cb 0.17 -0.31 0.02 0.00 -0.26 0.00 0.00 64.21 63.84 3dyg n SER 229 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dyg n GLU 230 N 1.45 -3.09 0.00 4.33 1.02 0.16 -4.90 120.64 119.61 3dyg n GLU 230 Ca 0.20 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 3dyg n GLU 230 Cb 0.59 -4.66 0.00 0.00 -0.02 0.00 0.00 31.44 27.36 3dyg n GLU 230 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dyg n ALA 231 N -4.24 0.72 -0.28 0.62 0.00 -0.04 -4.91 120.51 112.38 3dyg n ALA 231 Ca -0.23 -0.33 0.10 0.00 0.00 0.00 0.00 53.44 52.98 3dyg n ALA 231 Cb 0.65 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.34 3dyg n ALA 231 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3dyg h LEU 232 N 0.00 -0.04 -1.60 0.00 6.46 -1.86 0.64 115.31 118.91 3dyg h LEU 232 Ca 0.00 0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 3dyg h LEU 232 Cb 0.75 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 3dyg h LEU 232 CO 0.00 -0.12 0.29 -0.65 -0.62 0.00 0.00 178.44 177.34 3dyg h PRO 233 N 0.22 0.53 0.00 5.25 0.11 -1.92 -2.80 132.00 133.39 3dyg h PRO 233 Ca 0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3dyg h PRO 233 Cb 0.95 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3dyg h PRO 233 CO -0.62 0.35 0.00 0.25 -0.21 0.00 0.00 178.00 177.77 3dyg n THR 234 N -4.47 1.22 -4.32 -1.15 -2.24 0.22 -4.77 114.28 98.77 3dyg n THR 234 Ca 0.04 0.31 -0.23 0.00 -2.27 0.00 0.00 64.05 61.89 3dyg n THR 234 Cb 0.09 -1.24 -0.08 0.00 -2.10 0.00 0.00 70.33 67.01 3dyg n THR 234 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3dyg s VAL 235 N -2.71 3.30 -0.67 2.28 -7.23 -1.06 -4.78 120.40 109.54 3dyg s VAL 235 Ca 0.03 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 57.98 3dyg s VAL 235 Cb 0.03 -2.75 0.04 0.00 0.56 0.00 0.00 36.38 34.26 3dyg s VAL 235 CO 0.07 -0.37 1.12 -0.62 -0.31 0.00 0.00 175.10 175.00 3dyg s ASP 236 N -3.61 6.23 0.35 4.85 -1.08 -1.26 -4.88 116.67 117.27 3dyg s ASP 236 Ca 0.31 -0.52 0.08 0.00 -0.52 0.00 0.00 52.55 51.90 3dyg s ASP 236 Cb -0.06 -2.50 0.65 0.00 -1.46 0.00 0.00 42.92 39.54 3dyg s ASP 236 CO 0.19 -1.58 1.82 -0.03 0.52 0.00 0.00 175.17 176.09 3dyg h MET 237 N 9.72 0.23 -0.39 4.34 1.85 -1.94 -0.89 114.93 127.85 3dyg h MET 237 Ca -0.28 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 3dyg h MET 237 Cb 1.06 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.05 3dyg h MET 237 CO 1.21 0.47 0.25 0.78 -0.40 0.00 0.00 176.91 179.23 3dyg h GLY 238 N 0.96 0.55 1.45 1.39 0.00 -2.00 0.20 103.07 105.62 3dyg h GLY 238 Ca 0.03 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 3dyg h GLY 238 CO 0.04 0.21 -0.50 -2.08 0.00 0.00 0.00 176.54 174.21 3dyg h VAL 239 N 0.52 1.31 -0.18 4.60 2.07 -1.94 -2.08 116.25 120.56 3dyg h VAL 239 Ca 0.14 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 3dyg h VAL 239 Cb -0.05 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3dyg h VAL 239 CO -0.03 0.54 0.08 0.74 0.02 0.00 0.00 177.57 178.92 3dyg h THR 240 N 0.46 1.13 -0.39 2.57 2.02 -0.59 -1.63 112.91 116.48 3dyg h THR 240 Ca 0.02 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 3dyg h THR 240 Cb 1.03 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 3dyg h THR 240 CO 0.10 0.12 -0.06 -0.33 0.37 0.00 0.00 175.52 175.72 3dyg h GLU 241 N 0.16 0.66 -0.45 6.66 5.08 -0.59 -1.69 114.58 124.40 3dyg h GLU 241 Ca 0.06 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3dyg h GLU 241 Cb 0.12 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3dyg h GLU 241 CO -0.01 0.72 0.21 0.93 -1.00 0.00 0.00 179.01 179.86 3dyg h GLU 242 N 0.61 0.40 -0.11 2.33 5.08 -1.02 -1.18 114.58 120.70 3dyg h GLU 242 Ca 0.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3dyg h GLU 242 Cb 0.48 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3dyg h GLU 242 CO 0.02 0.27 0.01 -0.07 -1.00 0.00 0.00 179.01 178.25 3dyg h LEU 243 N 0.42 0.18 -0.95 1.33 3.38 -0.96 -1.97 115.31 116.73 3dyg h LEU 243 Ca 0.20 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3dyg h LEU 243 Cb 0.13 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3dyg h LEU 243 CO -0.16 0.40 0.61 0.00 0.09 0.00 0.00 178.44 179.39 3dyg h ALA 244 N 0.78 1.29 -0.33 1.53 0.00 -1.10 0.11 119.26 121.53 3dyg h ALA 244 Ca 0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3dyg h ALA 244 Cb 0.31 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dyg h ALA 244 CO 0.00 0.43 -0.45 0.52 0.00 0.00 0.00 179.25 179.75 3dyg h MET 245 N 1.14 0.88 0.26 0.00 2.86 -1.18 0.36 114.93 119.25 3dyg h MET 245 Ca 0.40 -0.50 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3dyg h MET 245 Cb 0.09 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3dyg h MET 245 CO -0.15 1.14 -0.13 1.25 1.06 0.00 0.00 176.91 180.09 3dyg h LEU 246 N 0.70 -0.30 -1.27 1.22 5.85 -0.82 -1.85 115.31 118.85 3dyg h LEU 246 Ca 0.04 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 3dyg h LEU 246 Cb 1.05 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3dyg h LEU 246 CO 0.10 0.02 0.23 0.24 -0.34 0.00 0.00 178.44 178.69 3dyg h MET 247 N -0.64 0.74 -0.40 1.25 2.86 -0.83 -2.36 114.93 115.55 3dyg h MET 247 Ca -0.04 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3dyg h MET 247 Cb 0.45 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3dyg h MET 247 CO 0.06 0.59 0.10 0.78 1.06 0.00 0.00 176.91 179.50 3dyg h GLY 248 N 0.85 0.69 0.88 8.32 0.00 -0.85 0.56 103.07 113.54 3dyg h GLY 248 Ca 0.18 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3dyg h GLY 248 CO -0.02 0.40 0.08 -2.09 0.00 0.00 0.00 176.54 174.91 3dyg h GLU 249 N 0.51 0.38 -0.77 4.80 4.81 -1.15 -1.93 114.58 121.23 3dyg h GLU 249 Ca 0.13 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3dyg h GLU 249 Cb 0.31 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 3dyg h GLU 249 CO 0.00 0.46 0.45 -0.92 -0.73 0.00 0.00 179.01 178.28 3dyg h TYR 250 N 0.23 1.02 -0.83 0.92 3.20 -1.35 -1.04 116.97 119.11 3dyg h TYR 250 Ca 0.08 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3dyg h TYR 250 Cb 0.24 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 3dyg h TYR 250 CO 0.00 0.68 0.44 0.35 -1.64 0.00 0.00 178.16 178.00 3dyg h PHE 251 N 1.06 1.15 -0.00 -3.82 3.57 -0.50 -1.91 116.94 116.49 3dyg h PHE 251 Ca 0.28 -0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.57 3dyg h PHE 251 Cb -0.03 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.33 3dyg h PHE 251 CO 0.00 0.80 -0.81 0.37 -2.23 0.00 0.00 178.31 176.44 3dyg h GLN 252 N 1.16 0.09 -0.57 1.11 5.75 -0.88 -2.04 115.11 119.73 3dyg h GLN 252 Ca 0.29 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.67 3dyg h GLN 252 Cb 0.05 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3dyg h GLN 252 CO -0.04 0.85 0.26 0.28 -2.65 0.00 0.00 178.83 177.53 3dyg h VAL 253 N 0.05 1.21 -0.74 2.39 2.07 -0.95 0.28 116.25 120.57 3dyg h VAL 253 Ca -0.02 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3dyg h VAL 253 Cb 1.42 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3dyg h VAL 253 CO 0.11 0.25 0.39 1.56 0.02 0.00 0.00 177.57 179.90 3dyg h GLN 254 N 0.78 1.05 -0.36 1.57 4.20 -1.25 0.20 115.11 121.31 3dyg h GLN 254 Ca 0.19 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3dyg h GLN 254 Cb 0.15 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3dyg h GLN 254 CO -0.02 0.80 -0.02 0.22 -0.67 0.00 0.00 178.83 179.13 3dyg h ASP 255 N 1.03 0.54 -0.05 1.46 3.58 -0.60 0.13 116.42 122.51 3dyg h ASP 255 Ca 0.26 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 3dyg h ASP 255 Cb 0.07 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 3dyg h ASP 255 CO -0.04 0.63 -0.07 0.44 -2.88 0.00 0.00 179.24 177.32 3dyg h ASP 256 N 0.54 0.15 -0.22 2.28 3.32 0.56 -2.41 116.42 120.65 3dyg h ASP 256 Ca 0.11 -0.53 0.02 0.00 0.02 0.00 0.00 57.03 56.66 3dyg h ASP 256 Cb 0.39 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3dyg h ASP 256 CO 0.02 0.65 0.06 0.58 -1.72 0.00 0.00 179.24 178.83 3dyg h VAL 257 N -0.34 0.93 -0.43 -1.35 2.07 -0.43 -2.35 116.25 114.37 3dyg h VAL 257 Ca 0.01 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3dyg h VAL 257 Cb 0.61 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3dyg h VAL 257 CO 0.02 0.03 0.28 0.24 0.02 0.00 0.00 177.57 178.16 3dyg h MET 258 N 0.16 0.49 -0.79 1.57 2.86 -1.03 0.02 114.93 118.21 3dyg h MET 258 Ca 0.10 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3dyg h MET 258 Cb 0.07 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 3dyg h MET 258 CO -0.11 0.32 0.53 0.22 1.06 0.00 0.00 176.91 178.93 3dyg h ASP 259 N 0.50 0.90 0.28 1.22 3.58 -0.89 -0.32 116.42 121.70 3dyg h ASP 259 Ca 0.17 -0.02 -0.33 0.00 0.42 0.00 0.00 57.03 57.26 3dyg h ASP 259 Cb 0.05 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.84 3dyg h ASP 259 CO -0.04 0.65 -1.93 0.00 -2.88 0.00 0.00 179.24 175.05 3dyg n PHE 261 N -3.18 0.00 -2.94 0.00 3.72 -0.07 -5.01 117.46 109.98 3dyg n PHE 261 Ca -0.26 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.74 3dyg n PHE 261 Cb 1.06 -0.14 -0.05 0.00 -0.94 0.00 0.00 39.48 39.41 3dyg n PHE 261 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3dyg s THR 262 N -2.34 4.77 0.25 4.37 2.01 -0.14 -5.01 115.64 119.56 3dyg s THR 262 Ca -0.01 1.70 -0.31 0.00 0.31 0.00 0.00 61.69 63.37 3dyg s THR 262 Cb 0.05 -4.15 -0.12 0.00 0.01 0.00 0.00 72.50 68.30 3dyg s THR 262 CO 0.32 0.32 1.66 -2.65 -0.69 0.00 0.00 174.62 173.59 3dyg n PRO 263 N 3.07 2.76 -0.17 4.92 -0.02 -1.26 -4.79 135.00 139.51 3dyg n PRO 263 Ca -0.01 0.99 0.22 0.00 -2.02 0.00 0.00 63.50 62.68 3dyg n PRO 263 Cb 0.50 -2.81 0.62 0.00 -0.02 0.00 0.00 33.50 31.79 3dyg n PRO 263 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3dyg h PRO 264 N 5.77 0.19 -0.75 0.52 0.11 -1.94 0.17 132.00 136.06 3dyg h PRO 264 Ca -0.45 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.74 3dyg h PRO 264 Cb 1.21 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3dyg h PRO 264 CO 0.87 0.12 0.49 0.93 -0.21 0.00 0.00 178.00 180.21 3dyg h GLU 265 N 0.19 0.64 0.00 1.05 3.07 -1.89 0.13 114.58 117.77 3dyg h GLU 265 Ca 0.40 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 59.10 3dyg h GLU 265 Cb 1.29 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.04 3dyg h GLU 265 CO -0.08 0.42 -0.70 0.00 -1.40 0.00 0.00 179.01 177.26 3dyg h ARG 266 N 0.66 0.00 -0.36 2.33 3.08 -1.30 -3.39 114.38 115.40 3dyg h ARG 266 Ca 0.34 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 3dyg h ARG 266 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3dyg h ARG 266 CO -0.12 0.97 0.18 1.25 -1.07 0.00 0.00 179.97 181.17 3dyg h LEU 267 N -1.00 0.44 0.00 3.04 5.85 -1.05 -3.47 115.31 119.13 3dyg h LEU 267 Ca -0.19 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3dyg h LEU 267 Cb 1.15 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3dyg h LEU 267 CO -0.12 0.38 0.00 0.61 -0.34 0.00 0.00 178.44 178.98 3dyg n GLY 268 N -1.30 0.72 3.28 3.75 0.00 0.44 -4.73 105.19 107.35 3dyg n GLY 268 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3dyg n GLY 268 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dyg s LYS 269 N -0.75 0.94 -0.14 1.61 -2.85 -1.25 -0.53 119.74 116.76 3dyg s LYS 269 Ca 0.00 -0.65 -0.18 0.00 -1.00 0.00 0.00 55.97 54.14 3dyg s LYS 269 Cb 0.00 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 3dyg s LYS 269 CO 0.00 -0.33 0.48 0.08 0.10 0.00 0.00 175.35 175.68 3dyg s VAL 270 N -3.29 5.17 0.34 1.79 1.01 -1.26 -4.56 120.40 119.60 3dyg s VAL 270 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 3dyg s VAL 270 Cb 0.01 -3.82 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 3dyg s VAL 270 CO -0.08 0.29 1.55 -0.83 0.00 0.00 0.00 175.10 176.03 3dyg s GLY 271 N 0.76 2.51 0.00 4.51 0.00 -1.26 -4.77 107.32 109.07 3dyg s GLY 271 Ca 0.25 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.56 3dyg s GLY 271 CO 0.10 2.43 0.24 -1.30 0.00 0.00 0.00 173.10 174.56 3dyg n THR 272 N 1.34 0.00 -0.09 0.90 -2.24 -1.26 -4.87 114.28 108.06 3dyg n THR 272 Ca 0.05 -0.39 -0.06 0.00 -2.27 0.00 0.00 64.05 61.38 3dyg n THR 272 Cb 0.38 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 3dyg n THR 272 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3dyg h ASP 273 N 0.00 -0.18 -0.04 3.42 3.32 -1.91 0.26 116.42 121.28 3dyg h ASP 273 Ca 0.00 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3dyg h ASP 273 Cb 0.07 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3dyg h ASP 273 CO 0.00 -0.06 0.01 0.40 -1.72 0.00 0.00 179.24 177.88 3dyg h ILE 274 N 0.06 1.17 -0.62 0.35 2.04 -1.91 -0.00 117.51 118.60 3dyg h ILE 274 Ca 0.16 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3dyg h ILE 274 Cb 0.22 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3dyg h ILE 274 CO -0.29 0.13 0.40 1.56 0.00 0.00 0.00 178.15 179.96 3dyg h GLN 275 N -0.13 0.82 -0.11 2.37 7.50 -1.71 -0.49 115.11 123.36 3dyg h GLN 275 Ca 0.01 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.11 3dyg h GLN 275 Cb 0.21 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.55 3dyg h GLN 275 CO -0.00 0.55 0.00 -0.25 -1.50 0.00 0.00 178.83 177.63 3dyg n ASP 276 N -4.43 1.24 -3.79 1.46 8.00 0.90 -3.99 116.55 115.94 3dyg n ASP 276 Ca 0.06 -1.60 -0.27 0.00 0.71 0.00 0.00 54.79 53.68 3dyg n ASP 276 Cb 0.05 -0.07 0.05 0.00 -0.02 0.00 0.00 41.12 41.13 3dyg n ASP 276 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dyg n ALA 277 N 0.03 -1.33 -1.77 2.24 0.00 -0.41 -4.93 120.51 114.32 3dyg n ALA 277 Ca 0.16 0.26 -0.37 0.00 0.00 0.00 0.00 53.44 53.49 3dyg n ALA 277 Cb 0.27 -4.75 -0.01 0.00 0.00 0.00 0.00 19.45 14.96 3dyg n ALA 277 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3dyg s LYS 278 N -6.47 3.76 -1.32 0.00 -0.14 -0.11 -4.60 119.74 110.87 3dyg s LYS 278 Ca 0.60 1.71 -0.17 0.00 -1.36 0.00 0.00 55.97 56.76 3dyg s LYS 278 Cb -0.29 -2.37 0.08 0.00 -1.68 0.00 0.00 37.83 33.57 3dyg s LYS 278 CO 0.79 -0.54 1.79 0.00 -0.76 0.00 0.00 175.35 176.64 3dyg s SER 280 N 3.90 5.20 0.22 0.00 1.04 -1.26 -4.89 113.70 117.90 3dyg s SER 280 Ca 0.52 0.23 -0.08 0.00 0.48 0.00 0.00 55.95 57.10 3dyg s SER 280 Cb 0.05 -1.08 0.18 0.00 0.10 0.00 0.00 66.02 65.28 3dyg s SER 280 CO 0.05 -1.25 1.85 -0.25 0.98 0.00 0.00 173.24 174.61 3dyg h TRP 281 N -0.15 1.15 0.19 5.02 7.01 -1.92 -2.27 115.95 124.99 3dyg h TRP 281 Ca -0.43 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.53 3dyg h TRP 281 Cb 1.30 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 3dyg h TRP 281 CO 0.37 0.80 -0.09 -0.07 -2.79 0.00 0.00 178.44 176.66 3dyg h LEU 282 N 1.17 -0.22 0.08 0.65 3.38 -1.93 -0.89 115.31 117.56 3dyg h LEU 282 Ca 0.30 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.22 3dyg h LEU 282 Cb 0.02 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3dyg h LEU 282 CO -0.05 -0.08 -0.50 0.00 0.09 0.00 0.00 178.44 177.90 3dyg h ALA 283 N 0.46 -0.96 -0.48 1.53 0.00 -1.81 0.35 119.26 118.34 3dyg h ALA 283 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dyg h ALA 283 Cb 0.26 0.89 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3dyg h ALA 283 CO 0.04 -1.09 0.31 -0.39 0.00 0.00 0.00 179.25 178.12 3dyg h VAL 284 N -0.68 1.14 -0.20 0.00 -1.51 -1.44 0.00 116.25 113.55 3dyg h VAL 284 Ca -0.00 -0.28 0.01 0.00 -1.23 0.00 0.00 66.70 65.21 3dyg h VAL 284 Cb 0.70 0.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.30 3dyg h VAL 284 CO -0.29 0.13 0.09 0.74 -1.23 0.00 0.00 177.57 177.01 3dyg h THR 285 N 0.65 0.98 0.28 7.19 2.02 -0.89 -0.77 112.91 122.37 3dyg h THR 285 Ca 0.17 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 3dyg h THR 285 Cb -0.05 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3dyg h THR 285 CO -0.04 0.04 -0.15 0.15 0.37 0.00 0.00 175.52 175.89 3dyg h PHE 286 N 0.20 -0.39 -0.77 3.16 3.57 -0.03 -2.99 116.94 119.69 3dyg h PHE 286 Ca 0.08 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3dyg h PHE 286 Cb 0.03 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 3dyg h PHE 286 CO -0.10 -0.24 0.50 -0.07 -2.23 0.00 0.00 178.31 176.17 3dyg h LEU 287 N -0.40 0.74 -1.55 0.59 3.38 -0.81 0.81 115.31 118.07 3dyg h LEU 287 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3dyg h LEU 287 Cb 0.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3dyg h LEU 287 CO 0.05 0.48 -0.24 0.00 0.09 0.00 0.00 178.44 178.83 3dyg h ALA 288 N 1.58 1.38 0.00 1.53 0.00 -1.00 -3.22 119.26 119.53 3dyg h ALA 288 Ca 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dyg h ALA 288 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dyg h ALA 288 CO -0.11 0.29 -0.95 0.36 0.00 0.00 0.00 179.25 178.85 3dyg n LYS 289 N -3.92 1.95 -2.06 0.00 2.85 -0.84 -5.05 118.16 111.09 3dyg n LYS 289 Ca -0.02 -0.04 -0.35 0.00 -1.05 0.00 0.00 58.31 56.85 3dyg n LYS 289 Cb 0.32 -1.18 0.02 0.00 -0.65 0.00 0.00 35.03 33.54 3dyg n LYS 289 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dyg s ALA 290 N -2.46 2.58 0.78 0.58 0.00 0.22 -5.05 121.76 118.42 3dyg s ALA 290 Ca 0.02 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 3dyg s ALA 290 Cb 0.09 -3.39 0.07 0.00 0.00 0.00 0.00 23.12 19.89 3dyg s ALA 290 CO 0.54 -1.04 1.16 -1.54 0.00 0.00 0.00 175.76 174.88 3dyg s SER 291 N -1.85 4.70 0.40 0.00 1.04 -1.26 -4.81 113.70 111.91 3dyg s SER 291 Ca 0.73 0.83 0.07 0.00 0.48 0.00 0.00 55.95 58.07 3dyg s SER 291 Cb -0.26 -1.39 0.83 0.00 0.10 0.00 0.00 66.02 65.31 3dyg s SER 291 CO 0.32 -1.79 2.02 0.28 0.98 0.00 0.00 173.24 175.05 3dyg h SER 292 N -0.96 0.53 -0.19 7.02 0.02 -1.99 -0.27 113.55 117.71 3dyg h SER 292 Ca -0.46 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.43 3dyg h SER 292 Cb 1.31 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3dyg h SER 292 CO 0.65 0.37 -0.08 0.00 -1.14 0.00 0.00 176.83 176.63 3dyg h ALA 293 N 1.69 0.27 -0.70 3.77 0.00 -2.00 -1.77 119.26 120.51 3dyg h ALA 293 Ca 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3dyg h ALA 293 Cb 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3dyg h ALA 293 CO -0.06 0.08 0.35 1.96 0.00 0.00 0.00 179.25 181.58 3dyg h GLN 294 N 0.09 0.99 -0.31 0.00 4.20 -1.75 -2.31 115.11 116.02 3dyg h GLN 294 Ca 0.04 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.47 3dyg h GLN 294 Cb 0.56 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3dyg h GLN 294 CO 0.03 0.76 -0.42 0.28 -0.67 0.00 0.00 178.83 178.81 3dyg h VAL 295 N 0.99 1.29 0.31 -0.54 2.07 -0.99 -2.21 116.25 117.17 3dyg h VAL 295 Ca 0.25 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 3dyg h VAL 295 Cb 0.08 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3dyg h VAL 295 CO -0.03 0.52 -0.15 0.00 0.02 0.00 0.00 177.57 177.92 3dyg h ALA 296 N 0.91 -0.42 -0.39 1.67 0.00 -0.94 -0.64 119.26 119.45 3dyg h ALA 296 Ca 0.05 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3dyg h ALA 296 Cb 0.97 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 3dyg h ALA 296 CO 0.09 -0.71 0.05 1.49 0.00 0.00 0.00 179.25 180.17 3dyg h GLU 297 N -0.47 0.17 -0.51 0.00 4.81 -1.44 -0.89 114.58 116.25 3dyg h GLU 297 Ca -0.04 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3dyg h GLU 297 Cb 0.35 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.63 3dyg h GLU 297 CO 0.07 0.11 0.10 0.35 -0.73 0.00 0.00 179.01 178.91 3dyg h PHE 298 N 0.17 0.16 0.00 0.92 3.57 -1.20 -1.22 116.94 119.33 3dyg h PHE 298 Ca 0.19 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3dyg h PHE 298 Cb 0.24 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 3dyg h PHE 298 CO -0.22 -0.01 -0.06 0.87 -2.23 0.00 0.00 178.31 176.66 3dyg h LYS 299 N 0.23 0.00 -0.02 1.11 1.57 0.21 0.15 116.57 119.83 3dyg h LYS 299 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3dyg h LYS 299 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3dyg h LYS 299 CO -0.33 0.06 -0.12 0.00 -0.57 0.00 0.00 179.45 178.49 3dyg n ALA 300 N -2.37 2.79 0.00 3.86 0.00 -0.51 -4.30 120.51 119.98 3dyg n ALA 300 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3dyg n ALA 300 Cb 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3dyg n ALA 300 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dyg n ASN 301 N 0.25 2.93 -4.74 0.00 3.02 -0.83 -5.07 115.26 110.83 3dyg n ASN 301 Ca 0.15 -0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 3dyg n ASN 301 Cb 0.43 0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 40.26 3dyg n ASN 301 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3dyg s TYR 302 N -1.30 3.83 -0.06 3.10 5.04 0.48 -3.92 117.35 124.52 3dyg s TYR 302 Ca 0.00 1.81 -0.00 0.00 -2.44 0.00 0.00 57.07 56.43 3dyg s TYR 302 Cb 0.00 -3.07 0.00 0.00 0.35 0.00 0.00 41.96 39.24 3dyg s TYR 302 CO 0.00 0.15 0.03 0.41 -1.34 0.00 0.00 175.55 174.80 3dyg n GLY 303 N 1.99 0.70 3.11 8.97 0.00 -0.33 -4.93 105.19 114.70 3dyg n GLY 303 Ca 0.01 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 3dyg n GLY 303 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dyg s SER 304 N -2.99 1.78 0.45 1.61 0.15 -1.25 -4.80 113.70 108.64 3dyg s SER 304 Ca 0.01 -0.28 0.25 0.00 0.70 0.00 0.00 55.95 56.63 3dyg s SER 304 Cb -0.01 -0.30 0.91 0.00 -1.71 0.00 0.00 66.02 64.91 3dyg s SER 304 CO 0.02 0.16 1.82 1.23 1.20 0.00 0.00 173.24 177.67 3dyg h GLY 305 N 5.96 0.00 -7.02 9.45 0.00 -1.93 -3.40 103.07 106.14 3dyg h GLY 305 Ca -0.34 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.35 3dyg h GLY 305 CO 0.48 0.00 1.46 1.34 0.00 0.00 0.00 176.54 179.82 3dyg n ASP 306 N -3.33 2.41 0.10 0.19 -0.08 -1.26 -4.83 116.55 109.75 3dyg n ASP 306 Ca 0.00 0.30 0.20 0.00 -1.51 0.00 0.00 54.79 53.78 3dyg n ASP 306 Cb 0.43 -1.35 0.66 0.00 2.34 0.00 0.00 41.12 43.20 3dyg n ASP 306 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3dyg h SER 307 N 13.51 0.00 0.01 1.67 4.64 -1.98 0.18 113.55 131.58 3dyg h SER 307 Ca -0.30 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3dyg h SER 307 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3dyg h SER 307 CO 1.02 0.00 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.64 3dyg h GLU 308 N 0.00 -0.01 -0.93 4.77 5.08 -1.96 -0.37 114.58 121.16 3dyg h GLU 308 Ca 0.20 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3dyg h GLU 308 Cb 1.39 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.60 3dyg h GLU 308 CO -0.00 0.80 0.61 0.87 -1.00 0.00 0.00 179.01 180.29 3dyg h LYS 309 N -0.91 1.21 -0.64 2.33 1.57 -1.53 0.49 116.57 119.09 3dyg h LYS 309 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3dyg h LYS 309 Cb 0.82 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3dyg h LYS 309 CO 0.00 0.80 0.40 0.28 -0.57 0.00 0.00 179.45 180.37 3dyg h VAL 310 N 1.25 1.18 0.00 0.50 2.07 -1.08 -0.70 116.25 119.47 3dyg h VAL 310 Ca 0.34 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3dyg h VAL 310 Cb -0.13 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3dyg h VAL 310 CO -0.08 0.18 -0.14 0.00 0.02 0.00 0.00 177.57 177.55 3dyg h ALA 311 N 1.21 1.74 -0.10 1.67 0.00 0.34 -2.10 119.26 122.03 3dyg h ALA 311 Ca 0.23 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3dyg h ALA 311 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dyg h ALA 311 CO -0.05 0.17 -0.19 1.15 0.00 0.00 0.00 179.25 180.33 3dyg h THR 312 N 0.00 1.39 -0.60 0.00 2.02 0.47 -1.94 112.91 114.26 3dyg h THR 312 Ca -0.00 -1.48 0.07 0.00 0.77 0.00 0.00 66.41 65.77 3dyg h THR 312 Cb 0.25 2.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.72 3dyg h THR 312 CO 0.02 0.42 0.29 0.58 0.37 0.00 0.00 175.52 177.20 3dyg h VAL 313 N -0.15 0.89 -0.88 3.16 2.07 -0.91 0.17 116.25 120.61 3dyg h VAL 313 Ca 0.00 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3dyg h VAL 313 Cb 0.78 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3dyg h VAL 313 CO 0.04 0.10 0.53 -0.09 0.02 0.00 0.00 177.57 178.17 3dyg h ARG 314 N 0.53 1.19 -0.29 1.57 2.43 -1.34 -1.84 114.38 116.62 3dyg h ARG 314 Ca 0.28 -0.11 -0.18 0.00 -0.81 0.00 0.00 59.98 59.17 3dyg h ARG 314 Cb 0.25 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3dyg h ARG 314 CO -0.22 0.83 -0.51 -0.09 -1.51 0.00 0.00 179.97 178.47 3dyg h ARG 315 N 1.21 0.83 -0.72 0.20 1.12 -0.44 -2.61 114.38 113.97 3dyg h ARG 315 Ca 0.31 -0.50 0.08 0.00 -1.11 0.00 0.00 59.98 58.76 3dyg h ARG 315 Cb -0.05 0.05 -0.07 0.00 -0.01 0.00 0.00 29.97 29.89 3dyg h ARG 315 CO -0.06 1.14 0.38 -0.07 -3.11 0.00 0.00 179.97 178.25 3dyg h LEU 316 N 0.65 0.53 0.11 3.80 3.38 -0.15 -1.07 115.31 122.56 3dyg h LEU 316 Ca 0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3dyg h LEU 316 Cb 1.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3dyg h LEU 316 CO 0.11 0.31 -0.05 1.88 0.09 0.00 0.00 178.44 180.78 3dyg h TYR 317 N 0.66 -0.14 -0.82 1.13 0.05 -1.14 -2.15 116.97 114.56 3dyg h TYR 317 Ca 0.35 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.10 3dyg h TYR 317 Cb 0.32 0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 3dyg h TYR 317 CO -0.09 -0.03 0.41 0.93 -1.05 0.00 0.00 178.16 178.32 3dyg h GLU 318 N -0.21 1.18 0.00 4.88 5.08 -1.18 -2.25 114.58 122.08 3dyg h GLU 318 Ca -0.02 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 3dyg h GLU 318 Cb 0.17 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3dyg h GLU 318 CO 0.03 0.90 -0.28 0.93 -1.00 0.00 0.00 179.01 179.59 3dyg h GLU 319 N 1.17 0.00 -0.08 2.33 5.08 -1.12 -1.12 114.58 120.84 3dyg h GLU 319 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3dyg h GLU 319 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3dyg h GLU 319 CO -0.04 0.28 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 3dyg n ALA 320 N -2.41 2.57 -3.56 3.43 0.00 -0.82 -4.94 120.51 114.79 3dyg n ALA 320 Ca -0.02 -0.32 -0.25 0.00 0.00 0.00 0.00 53.44 52.85 3dyg n ALA 320 Cb 0.35 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 18.65 3dyg n ALA 320 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dyg n ASP 321 N -0.24 -4.97 0.19 0.00 2.03 -0.43 -4.87 116.55 108.26 3dyg n ASP 321 Ca 0.15 -0.89 0.08 0.00 0.52 0.00 0.00 54.79 54.66 3dyg n ASP 321 Cb 0.20 -4.04 0.22 0.00 -0.72 0.00 0.00 41.12 36.78 3dyg n ASP 321 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3dyg h LEU 322 N -1.65 0.00 -1.04 -2.67 3.38 -1.73 -2.67 115.31 108.93 3dyg h LEU 322 Ca -0.64 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.41 3dyg h LEU 322 Cb 1.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.03 3dyg h LEU 322 CO 0.48 0.24 0.63 1.56 0.09 0.00 0.00 178.44 181.45 3dyg h GLN 323 N 0.00 1.08 -0.09 1.13 1.08 -1.89 0.68 115.11 117.11 3dyg h GLN 323 Ca -0.00 -0.06 -0.19 0.00 -1.45 0.00 0.00 58.65 56.94 3dyg h GLN 323 Cb 1.05 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 28.24 3dyg h GLN 323 CO 0.03 0.71 -0.74 0.78 -0.95 0.00 0.00 178.83 178.66 3dyg h GLY 324 N 1.11 0.52 1.13 3.46 0.00 -1.85 -2.86 103.07 104.58 3dyg h GLY 324 Ca 0.44 -0.75 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 3dyg h GLY 324 CO -0.18 0.66 -0.35 -0.55 0.00 0.00 0.00 176.54 176.12 3dyg h ASP 325 N 0.32 1.02 -0.35 0.19 3.32 -1.25 -2.62 116.42 117.06 3dyg h ASP 325 Ca -0.04 -0.45 0.05 0.00 0.02 0.00 0.00 57.03 56.62 3dyg h ASP 325 Cb 1.33 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 3dyg h ASP 325 CO 0.13 1.25 0.04 0.22 -1.72 0.00 0.00 179.24 179.17 3dyg h TYR 326 N 0.79 0.07 -0.99 4.55 3.20 -0.89 0.27 116.97 123.97 3dyg h TYR 326 Ca 0.07 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.00 3dyg h TYR 326 Cb 0.94 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 3dyg h TYR 326 CO 0.06 -0.01 0.65 0.28 -1.64 0.00 0.00 178.16 177.50 3dyg h VAL 327 N 0.15 1.19 -0.42 1.81 2.07 -1.39 0.28 116.25 119.95 3dyg h VAL 327 Ca 0.17 -0.44 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 3dyg h VAL 327 Cb 0.20 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3dyg h VAL 327 CO -0.24 0.23 -0.26 0.00 0.02 0.00 0.00 177.57 177.32 3dyg h ALA 328 N 1.39 0.75 0.11 1.67 0.00 -0.94 -2.03 119.26 120.22 3dyg h ALA 328 Ca 0.39 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3dyg h ALA 328 Cb -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3dyg h ALA 328 CO -0.11 0.66 -0.05 -0.92 0.00 0.00 0.00 179.25 178.82 3dyg h TYR 329 N 0.75 -0.13 -0.80 0.00 3.20 0.26 -2.40 116.97 117.84 3dyg h TYR 329 Ca 0.09 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.09 3dyg h TYR 329 Cb 0.81 0.04 -0.09 0.00 1.54 0.00 0.00 36.73 39.04 3dyg h TYR 329 CO 0.05 0.09 0.39 1.49 -1.64 0.00 0.00 178.16 178.55 3dyg h GLU 330 N -0.35 0.57 -0.28 1.82 4.81 -0.38 -0.41 114.58 120.36 3dyg h GLU 330 Ca -0.01 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 3dyg h GLU 330 Cb 0.29 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3dyg h GLU 330 CO 0.02 0.38 -0.28 0.00 -0.73 0.00 0.00 179.01 178.40 3dyg h ALA 331 N 1.53 1.00 -0.24 2.92 0.00 -1.30 0.55 119.26 123.71 3dyg h ALA 331 Ca 0.43 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3dyg h ALA 331 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3dyg h ALA 331 CO -0.35 0.59 -0.50 0.00 0.00 0.00 0.00 179.25 178.99 3dyg h ALA 332 N 1.21 0.66 -0.03 0.00 0.00 -0.75 -2.03 119.26 118.33 3dyg h ALA 332 Ca 0.06 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3dyg h ALA 332 Cb 0.73 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3dyg h ALA 332 CO 0.06 0.68 -0.01 0.28 0.00 0.00 0.00 179.25 180.26 3dyg h VAL 333 N 0.52 1.30 -0.86 0.00 2.07 -0.89 -2.53 116.25 115.86 3dyg h VAL 333 Ca 0.02 -0.89 0.15 0.00 0.82 0.00 0.00 66.70 66.80 3dyg h VAL 333 Cb 1.06 1.85 -0.10 0.00 -1.52 0.00 0.00 31.29 32.58 3dyg h VAL 333 CO 0.10 0.24 0.45 0.00 0.02 0.00 0.00 177.57 178.38 3dyg h ALA 334 N 0.64 1.31 0.73 1.67 0.00 -0.84 -0.61 119.26 122.16 3dyg h ALA 334 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3dyg h ALA 334 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dyg h ALA 334 CO 0.00 -0.09 -0.39 1.49 0.00 0.00 0.00 179.25 180.26 3dyg h GLU 335 N 0.64 -1.00 -0.12 0.00 4.81 -1.27 -2.15 114.58 115.49 3dyg h GLU 335 Ca 0.47 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.81 3dyg h GLU 335 Cb 0.67 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 3dyg h GLU 335 CO -0.37 -0.67 -0.11 1.96 -0.73 0.00 0.00 179.01 179.10 3dyg h GLN 336 N -1.04 -0.12 -0.57 1.92 4.20 -0.94 -2.12 115.11 116.44 3dyg h GLN 336 Ca -0.10 0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.74 3dyg h GLN 336 Cb 0.82 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.53 3dyg h GLN 336 CO 0.13 -0.08 -0.02 0.28 -0.67 0.00 0.00 178.83 178.47 3dyg h VAL 337 N -0.13 0.52 -0.14 -0.54 2.07 -1.14 -0.22 116.25 116.67 3dyg h VAL 337 Ca 0.08 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.61 3dyg h VAL 337 Cb 0.25 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 3dyg h VAL 337 CO -0.20 0.02 -0.44 0.50 0.02 0.00 0.00 177.57 177.47 3dyg h LYS 338 N 0.10 -0.48 -0.77 1.57 1.63 -0.75 0.15 116.57 118.02 3dyg h LYS 338 Ca 0.29 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.15 3dyg h LYS 338 Cb 0.46 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.16 3dyg h LYS 338 CO -0.50 -0.32 0.49 0.93 -3.45 0.00 0.00 179.45 176.60 3dyg h GLU 339 N -0.50 0.94 -0.20 1.90 5.08 -0.80 -2.15 114.58 118.85 3dyg h GLU 339 Ca 0.07 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3dyg h GLU 339 Cb 0.63 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3dyg h GLU 339 CO -0.41 0.62 -0.37 -0.07 -1.00 0.00 0.00 179.01 177.79 3dyg h LEU 340 N 0.97 0.44 -1.31 1.33 3.38 -0.62 -2.28 115.31 117.22 3dyg h LEU 340 Ca 0.30 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3dyg h LEU 340 Cb -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3dyg h LEU 340 CO -0.10 0.78 -0.16 0.40 0.09 0.00 0.00 178.44 179.44 3dyg h ILE 341 N 0.36 1.20 -0.04 1.22 2.04 -0.13 -1.15 117.51 121.01 3dyg h ILE 341 Ca 0.04 -0.89 -0.24 0.00 1.00 0.00 0.00 64.86 64.77 3dyg h ILE 341 Cb 0.81 1.26 0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3dyg h ILE 341 CO 0.07 0.28 -0.93 -0.33 0.00 0.00 0.00 178.15 177.24 3dyg h GLU 342 N 0.25 0.60 -0.10 2.37 4.39 -1.12 -1.13 114.58 119.84 3dyg h GLU 342 Ca 0.05 -0.59 -0.03 0.00 0.34 0.00 0.00 59.36 59.13 3dyg h GLU 342 Cb 0.44 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3dyg h GLU 342 CO 0.03 1.21 -0.06 -0.22 -1.16 0.00 0.00 179.01 178.80 3dyg h LYS 343 N 0.36 0.15 0.08 2.33 3.64 -1.04 -1.39 116.57 120.70 3dyg h LYS 343 Ca -0.09 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 58.99 3dyg h LYS 343 Cb 1.56 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 33.37 3dyg h LYS 343 CO 0.18 0.23 -1.16 1.25 -2.27 0.00 0.00 179.45 177.68 3dyg h LEU 344 N 0.15 0.72 -1.22 5.20 5.85 -1.08 -3.31 115.31 121.61 3dyg h LEU 344 Ca 0.03 -0.65 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 3dyg h LEU 344 Cb 0.21 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3dyg h LEU 344 CO 0.01 1.46 0.44 -0.09 -0.34 0.00 0.00 178.44 179.92 3dyg h ARG 345 N 0.24 0.97 -0.71 1.25 2.43 -0.11 -1.17 114.38 117.27 3dyg h ARG 345 Ca -0.15 -0.08 0.11 0.00 -0.81 0.00 0.00 59.98 59.05 3dyg h ARG 345 Cb 1.83 -0.21 -0.12 0.00 -0.42 0.00 0.00 29.97 31.05 3dyg h ARG 345 CO 0.21 0.67 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.85 3dyg h LEU 346 N 0.99 -1.49 -1.29 3.80 -0.00 -1.51 -2.83 115.31 112.98 3dyg h LEU 346 Ca 0.26 0.27 0.00 0.00 -0.00 0.00 0.00 57.88 58.40 3dyg h LEU 346 Cb -0.05 0.71 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 3dyg h LEU 346 CO -0.05 -0.31 -0.07 0.00 -0.00 0.00 0.00 178.44 178.01 3dyg n SER 348 N 0.45 -0.72 -0.20 0.00 7.64 -0.44 -4.97 113.62 115.37 3dyg n SER 348 Ca 0.07 -2.81 -0.08 0.00 1.01 0.00 0.00 58.87 57.05 3dyg n SER 348 Cb 0.30 0.02 0.02 0.00 -1.01 0.00 0.00 64.21 63.54 3dyg n SER 348 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3dyg h PRO 349 N 4.17 0.90 -0.55 1.43 0.13 -1.69 -1.54 132.00 134.86 3dyg h PRO 349 Ca 0.04 -0.20 -0.07 0.00 -0.87 0.00 0.00 66.00 64.89 3dyg h PRO 349 Cb 0.92 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 3dyg h PRO 349 CO 0.41 0.82 0.06 0.78 -0.23 0.00 0.00 178.00 179.84 3dyg h GLY 350 N 0.80 1.00 1.40 1.56 0.00 -1.90 -1.48 103.07 104.45 3dyg h GLY 350 Ca 0.18 -0.70 -0.16 0.00 0.00 0.00 0.00 47.33 46.65 3dyg h GLY 350 CO -0.00 0.64 -0.53 -2.75 0.00 0.00 0.00 176.54 173.90 3dyg h PHE 351 N 0.82 0.79 -0.13 5.60 3.57 -1.76 -2.86 116.94 122.96 3dyg h PHE 351 Ca 0.16 -0.27 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 3dyg h PHE 351 Cb 0.46 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3dyg h PHE 351 CO 0.03 1.03 -0.18 0.00 -2.23 0.00 0.00 178.31 176.96 3dyg h ALA 352 N 0.92 1.46 -0.32 2.41 0.00 -1.11 -1.42 119.26 121.20 3dyg h ALA 352 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3dyg h ALA 352 Cb 1.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3dyg h ALA 352 CO 0.10 0.38 -0.04 0.00 0.00 0.00 0.00 179.25 179.70 3dyg h ALA 353 N 1.62 0.43 -0.13 0.00 0.00 -1.07 -1.20 119.26 118.90 3dyg h ALA 353 Ca 0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3dyg h ALA 353 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dyg h ALA 353 CO 0.03 0.22 -0.24 0.66 0.00 0.00 0.00 179.25 179.93 3dyg h SER 354 N 0.37 0.22 0.33 0.00 4.64 -1.22 -0.82 113.55 117.07 3dyg h SER 354 Ca 0.08 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 3dyg h SER 354 Cb 0.51 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3dyg h SER 354 CO 0.02 0.47 -0.55 0.58 -0.87 0.00 0.00 176.83 176.48 3dyg h VAL 355 N 0.21 1.37 -0.36 0.95 2.07 -1.09 -1.46 116.25 117.93 3dyg h VAL 355 Ca 0.03 -1.86 -0.06 0.00 0.82 0.00 0.00 66.70 65.64 3dyg h VAL 355 Cb 0.54 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3dyg h VAL 355 CO 0.04 0.55 0.00 -0.08 0.02 0.00 0.00 177.57 178.10 3dyg h GLU 356 N 0.18 0.64 -0.82 1.57 4.81 -0.22 -0.64 114.58 120.10 3dyg h GLU 356 Ca 0.00 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 3dyg h GLU 356 Cb 1.03 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 3dyg h GLU 356 CO 0.08 0.75 0.42 1.15 -0.73 0.00 0.00 179.01 180.69 3dyg h THR 357 N 0.45 1.25 -0.61 0.32 2.02 -0.98 -0.85 112.91 114.52 3dyg h THR 357 Ca 0.10 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3dyg h THR 357 Cb 0.46 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3dyg h THR 357 CO 0.02 0.29 0.30 0.25 0.37 0.00 0.00 175.52 176.74 3dyg h LEU 358 N 1.16 0.79 -0.91 2.58 5.85 -0.94 -2.29 115.31 121.56 3dyg h LEU 358 Ca 0.29 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 3dyg h LEU 358 Cb 0.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3dyg h LEU 358 CO -0.04 0.69 -0.18 -0.25 -0.34 0.00 0.00 178.44 178.32 3dyg h TRP 359 N 0.83 0.66 0.00 1.25 2.91 -0.76 -2.31 115.95 118.53 3dyg h TRP 359 Ca 0.21 -0.13 -0.00 0.00 1.13 0.00 0.00 58.89 60.10 3dyg h TRP 359 Cb 0.11 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 28.59 3dyg h TRP 359 CO -0.00 0.74 -0.01 0.78 -1.03 0.00 0.00 178.44 178.92 3dyg h GLY 360 N 0.98 0.00 -0.14 2.65 0.00 -0.60 0.29 103.07 106.25 3dyg h GLY 360 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3dyg h GLY 360 CO 0.04 0.00 -0.31 0.28 0.00 0.00 0.00 176.54 176.55 3dyg n LYS 361 N -3.17 0.98 -0.09 4.80 5.02 -0.88 -4.42 118.16 120.39 3dyg n LYS 361 Ca -0.02 -0.66 -0.18 0.00 -2.02 0.00 0.00 58.31 55.43 3dyg n LYS 361 Cb 0.13 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 3dyg n LYS 361 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3dyg n THR 362 N -0.44 0.95 -1.67 -0.18 -1.04 0.40 -4.73 114.28 107.58 3dyg n THR 362 Ca 0.12 -0.23 -0.50 0.00 -2.04 0.00 0.00 64.05 61.39 3dyg n THR 362 Cb 0.38 -1.74 -0.05 0.00 -1.82 0.00 0.00 70.33 67.10 3dyg n THR 362 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dyg n TYR 363 N -3.77 2.22 -3.10 -1.42 9.36 0.73 -2.02 117.16 119.17 3dyg n TYR 363 Ca -0.34 0.10 -0.22 0.00 3.32 0.00 0.00 57.90 60.76 3dyg n TYR 363 Cb 0.74 -2.62 0.01 0.00 -0.63 0.00 0.00 39.34 36.83 3dyg n TYR 363 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3dyg n LYS 364 N 6.65 -3.91 -0.91 2.98 5.02 -1.26 -4.96 118.16 121.78 3dyg n LYS 364 Ca 0.25 0.70 -0.30 0.00 -2.02 0.00 0.00 58.31 56.93 3dyg n LYS 364 Cb 0.27 -5.46 0.16 0.00 -0.02 0.00 0.00 35.03 29.97 3dyg n LYS 364 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3dyg s ARG 365 N -5.75 1.06 -0.10 1.97 1.70 -0.85 -5.00 118.95 111.97 3dyg s ARG 365 Ca 0.31 1.21 -0.04 0.00 -0.47 0.00 0.00 55.73 56.74 3dyg s ARG 365 Cb -0.15 -1.76 -0.05 0.00 -0.57 0.00 0.00 34.95 32.43 3dyg s ARG 365 CO 0.38 -2.49 -0.13 1.04 -1.08 0.00 0.00 175.30 173.02 3dyg n GLN 366 N -4.10 0.22 0.00 3.89 1.13 -1.26 -5.13 117.38 112.13 3dyg n GLN 366 Ca 0.09 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 3dyg n GLN 366 Cb 0.53 -0.91 0.00 0.00 0.11 0.00 0.00 30.24 29.97 3dyg n GLN 366 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98