#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rvg s LEU 2 N 0.00 4.15 0.26 -0.89 2.96 -1.14 -0.55 118.68 123.47 1rvg s LEU 2 Ca 0.00 1.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1rvg s LEU 2 Cb 0.00 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 1rvg s LEU 2 CO 0.00 -0.38 0.17 0.68 -1.32 0.00 0.00 176.35 175.50 1rvg s VAL 3 N 2.18 0.10 0.66 1.68 -7.23 0.09 -4.94 120.40 112.95 1rvg s VAL 3 Ca 0.35 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.39 1rvg s VAL 3 Cb -0.16 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.27 1rvg s VAL 3 CO 0.11 0.00 1.07 0.42 -0.31 0.00 0.00 175.10 176.39 1rvg s THR 4 N -3.85 3.73 0.38 5.32 -4.23 -1.26 -4.13 115.64 111.60 1rvg s THR 4 Ca 0.39 0.69 0.07 0.00 -1.18 0.00 0.00 61.69 61.65 1rvg s THR 4 Cb 0.06 -3.28 0.20 0.00 1.34 0.00 0.00 72.50 70.82 1rvg s THR 4 CO 0.17 -0.61 1.95 1.23 -0.54 0.00 0.00 174.62 176.82 1rvg h GLY 5 N -0.25 0.49 1.12 3.99 0.00 -1.86 -2.86 103.07 103.69 1rvg h GLY 5 Ca -0.45 -0.25 -0.16 0.00 0.00 0.00 0.00 47.33 46.47 1rvg h GLY 5 CO 0.56 0.23 -0.39 -2.00 0.00 0.00 0.00 176.54 174.94 1rvg h LEU 6 N 0.45 0.99 -1.18 3.11 5.85 -1.92 -0.44 115.31 122.17 1rvg h LEU 6 Ca 0.11 -0.47 0.11 0.00 0.84 0.00 0.00 57.88 58.46 1rvg h LEU 6 Cb 0.19 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1rvg h LEU 6 CO -0.00 1.26 0.59 -0.08 -0.34 0.00 0.00 178.44 179.86 1rvg h GLU 7 N 0.74 0.85 0.03 1.25 4.81 -1.89 0.57 114.58 120.95 1rvg h GLU 7 Ca 0.06 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1rvg h GLU 7 Cb 0.99 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 30.19 1rvg h GLU 7 CO 0.10 0.57 -0.60 0.82 -0.73 0.00 0.00 179.01 179.16 1rvg h ILE 8 N 0.88 1.46 -0.08 2.32 2.04 -1.46 -3.30 117.51 119.38 1rvg h ILE 8 Ca 0.43 -2.17 -0.16 0.00 1.00 0.00 0.00 64.86 63.97 1rvg h ILE 8 Cb 0.47 2.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1rvg h ILE 8 CO -0.20 0.62 -0.65 -0.07 0.00 0.00 0.00 178.15 177.85 1rvg h LEU 9 N -0.22 0.36 -0.32 1.44 3.38 -0.66 -2.21 115.31 117.08 1rvg h LEU 9 Ca -0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1rvg h LEU 9 Cb 1.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1rvg h LEU 9 CO 0.12 0.91 0.04 0.50 0.09 0.00 0.00 178.44 180.10 1rvg h LYS 10 N 0.22 0.54 -0.43 1.13 3.64 -1.06 -1.32 116.57 119.29 1rvg h LYS 10 Ca -0.01 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1rvg h LYS 10 Cb 1.19 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1rvg h LYS 10 CO 0.11 0.64 0.20 -0.22 -2.27 0.00 0.00 179.45 177.90 1rvg h LYS 11 N 0.36 0.63 -0.12 1.90 3.64 -1.63 -1.15 116.57 120.21 1rvg h LYS 11 Ca 0.10 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1rvg h LYS 11 Cb 0.37 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1rvg h LYS 11 CO 0.01 0.56 0.01 0.00 -2.27 0.00 0.00 179.45 177.76 1rvg h ALA 12 N 1.04 0.11 -0.65 5.00 0.00 -1.22 0.10 119.26 123.65 1rvg h ALA 12 Ca 0.15 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1rvg h ALA 12 Cb 0.14 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1rvg h ALA 12 CO -0.02 -0.44 0.08 -0.09 0.00 0.00 0.00 179.25 178.78 1rvg h ARG 13 N 0.06 1.08 -0.72 0.00 2.43 -1.16 0.51 114.38 116.57 1rvg h ARG 13 Ca 0.05 -0.30 0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1rvg h ARG 13 Cb 0.05 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1rvg h ARG 13 CO -0.08 1.01 0.45 1.49 -1.51 0.00 0.00 179.97 181.33 1rvg h GLU 14 N 1.01 0.87 -0.01 0.20 4.22 -0.87 -2.89 114.58 117.10 1rvg h GLU 14 Ca 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.58 1rvg h GLU 14 Cb 0.47 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1rvg h GLU 14 CO 0.02 0.57 -0.18 0.39 -2.18 0.00 0.00 179.01 177.63 1rvg n GLU 15 N -4.64 1.13 -1.08 1.92 -0.58 0.32 -4.98 120.64 112.73 1rvg n GLU 15 Ca 0.08 -0.68 0.00 0.00 -0.42 0.00 0.00 57.16 56.13 1rvg n GLU 15 Cb 0.08 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1rvg n GLU 15 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rvg n GLY 16 N 1.29 0.47 3.46 0.62 0.00 0.09 -5.05 105.19 106.06 1rvg n GLY 16 Ca 0.14 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1rvg n GLY 16 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rvg s TYR 17 N -2.00 2.01 0.09 1.61 -0.85 -0.73 -4.67 117.35 112.81 1rvg s TYR 17 Ca 0.00 -0.80 0.06 0.00 -0.52 0.00 0.00 57.07 55.81 1rvg s TYR 17 Cb 0.00 -1.25 -0.04 0.00 0.38 0.00 0.00 41.96 41.05 1rvg s TYR 17 CO 0.00 0.19 -0.08 0.20 -1.52 0.00 0.00 175.55 174.34 1rvg s GLY 18 N -3.49 1.81 -0.10 5.49 0.00 0.36 -4.20 107.32 107.19 1rvg s GLY 18 Ca 0.33 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.88 1rvg s GLY 18 CO 0.14 -1.14 -0.16 0.14 0.00 0.00 0.00 173.10 172.07 1rvg s VAL 19 N -1.20 2.80 0.21 1.40 1.01 0.13 -4.12 120.40 120.63 1rvg s VAL 19 Ca 0.21 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 1rvg s VAL 19 Cb -0.11 -2.13 -0.08 0.00 0.00 0.00 0.00 36.38 34.05 1rvg s VAL 19 CO 0.14 0.55 0.78 -0.83 0.00 0.00 0.00 175.10 175.73 1rvg s GLY 20 N 0.07 2.77 -0.43 4.51 0.00 -1.26 -1.71 107.32 111.27 1rvg s GLY 20 Ca -0.07 0.30 -0.07 0.00 0.00 0.00 0.00 44.72 44.88 1rvg s GLY 20 CO 0.05 0.74 0.27 0.00 0.00 0.00 0.00 173.10 174.15 1rvg s ALA 21 N -1.37 3.28 -0.24 3.20 0.00 0.08 -1.47 121.76 125.23 1rvg s ALA 21 Ca 0.41 -2.42 -0.10 0.00 0.00 0.00 0.00 51.96 49.84 1rvg s ALA 21 Cb -0.20 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1rvg s ALA 21 CO 0.24 -1.79 0.15 -0.06 0.00 0.00 0.00 175.76 174.29 1rvg s PHE 22 N 1.30 3.29 0.18 0.00 0.40 -0.30 -1.33 117.98 121.52 1rvg s PHE 22 Ca 0.05 0.16 -0.30 0.00 -0.60 0.00 0.00 56.93 56.25 1rvg s PHE 22 Cb -0.24 -2.26 -0.08 0.00 0.51 0.00 0.00 43.02 40.95 1rvg s PHE 22 CO -0.01 0.03 1.21 -0.80 0.70 0.00 0.00 175.22 176.35 1rvg s ASN 23 N 1.08 7.06 0.05 1.36 -0.87 -0.92 -1.11 114.94 121.59 1rvg s ASN 23 Ca 0.07 2.25 0.03 0.00 -1.57 0.00 0.00 52.86 53.64 1rvg s ASN 23 Cb -0.14 -2.61 -0.03 0.00 -0.02 0.00 0.00 41.25 38.46 1rvg s ASN 23 CO 0.05 -0.40 -0.09 0.68 -2.57 0.00 0.00 177.10 174.77 1rvg s VAL 24 N -0.01 0.62 0.00 1.60 -7.23 -0.51 -4.91 120.40 109.95 1rvg s VAL 24 Ca 0.53 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1rvg s VAL 24 Cb -0.33 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 35.90 1rvg s VAL 24 CO 0.37 -0.38 0.00 0.59 -0.31 0.00 0.00 175.10 175.36 1rvg n ASN 25 N 1.37 0.00 -1.00 4.85 4.13 -1.26 -4.66 115.26 118.69 1rvg n ASN 25 Ca -0.22 -0.25 0.00 0.00 1.68 0.00 0.00 54.58 55.79 1rvg n ASN 25 Cb 0.55 0.50 0.00 0.00 -1.54 0.00 0.00 39.78 39.28 1rvg n ASN 25 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1rvg n ASN 26 N -0.50 0.00 0.20 6.41 0.23 -1.26 -4.23 115.26 116.12 1rvg n ASN 26 Ca 0.00 -1.00 -0.15 0.00 -0.53 0.00 0.00 54.58 52.90 1rvg n ASN 26 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 1rvg n ASN 26 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1rvg h MET 27 N 0.00 -0.45 -0.08 -3.83 1.85 -1.98 -2.60 114.93 107.84 1rvg h MET 27 Ca 0.00 0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.08 1rvg h MET 27 Cb 0.00 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 1rvg h MET 27 CO 0.00 -0.26 -0.13 1.05 -0.40 0.00 0.00 176.91 177.17 1rvg h GLU 28 N -0.55 0.12 -0.30 0.39 9.09 -1.98 0.77 114.58 122.12 1rvg h GLU 28 Ca -0.05 -0.02 -0.17 0.00 0.05 0.00 0.00 59.36 59.17 1rvg h GLU 28 Cb 0.41 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1rvg h GLU 28 CO 0.08 0.25 -0.47 0.74 0.05 0.00 0.00 179.01 179.66 1rvg h PHE 29 N 0.11 1.05 -0.48 2.06 -1.00 -1.94 -1.09 116.94 115.65 1rvg h PHE 29 Ca 0.02 -0.36 -0.08 0.00 2.81 0.00 0.00 57.97 60.36 1rvg h PHE 29 Cb 0.31 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1rvg h PHE 29 CO 0.00 1.18 -0.03 1.25 -1.61 0.00 0.00 178.31 179.09 1rvg h LEU 30 N 0.63 0.85 -0.56 1.54 6.46 -1.03 -2.05 115.31 121.15 1rvg h LEU 30 Ca 0.03 -0.32 -0.05 0.00 -0.12 0.00 0.00 57.88 57.41 1rvg h LEU 30 Cb 1.08 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 1rvg h LEU 30 CO 0.11 0.97 0.16 1.56 -0.62 0.00 0.00 178.44 180.62 1rvg h GLN 31 N 0.71 0.88 -0.24 1.25 4.20 -0.78 -1.96 115.11 119.18 1rvg h GLN 31 Ca 0.13 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1rvg h GLN 31 Cb 0.56 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1rvg h GLN 31 CO 0.03 0.81 0.13 0.00 -0.67 0.00 0.00 178.83 179.13 1rvg h ALA 32 N 1.03 0.30 -0.11 3.87 0.00 -1.02 -0.20 119.26 123.13 1rvg h ALA 32 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1rvg h ALA 32 Cb 0.30 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1rvg h ALA 32 CO -0.00 -0.27 0.04 0.28 0.00 0.00 0.00 179.25 179.30 1rvg h VAL 33 N 0.27 1.15 -0.42 0.00 2.07 -1.27 -1.41 116.25 116.64 1rvg h VAL 33 Ca 0.10 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 1rvg h VAL 33 Cb 0.02 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1rvg h VAL 33 CO -0.06 0.13 -0.13 -0.07 0.02 0.00 0.00 177.57 177.46 1rvg h LEU 34 N 0.02 0.75 -0.65 2.57 3.38 -1.25 -1.61 115.31 118.52 1rvg h LEU 34 Ca 0.04 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1rvg h LEU 34 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1rvg h LEU 34 CO -0.00 0.90 -0.24 -0.33 0.09 0.00 0.00 178.44 178.85 1rvg h GLU 35 N 0.69 0.80 -0.38 1.13 5.08 -0.96 -1.30 114.58 119.63 1rvg h GLU 35 Ca 0.11 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1rvg h GLU 35 Cb 0.61 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1rvg h GLU 35 CO 0.04 0.96 0.24 0.00 -1.00 0.00 0.00 179.01 179.24 1rvg h ALA 36 N 1.03 0.48 -0.63 3.43 0.00 -1.03 -0.70 119.26 121.84 1rvg h ALA 36 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rvg h ALA 36 Cb 0.77 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1rvg h ALA 36 CO 0.06 -0.03 0.38 0.00 0.00 0.00 0.00 179.25 179.66 1rvg h ALA 37 N 1.11 0.80 -0.36 0.00 0.00 -1.02 -0.59 119.26 119.21 1rvg h ALA 37 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1rvg h ALA 37 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1rvg h ALA 37 CO -0.03 0.28 0.01 0.93 0.00 0.00 0.00 179.25 180.44 1rvg h GLU 38 N 0.86 0.63 -0.08 0.00 4.39 -0.98 0.26 114.58 119.65 1rvg h GLU 38 Ca 0.23 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1rvg h GLU 38 Cb -0.03 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1rvg h GLU 38 CO -0.04 0.73 -0.30 0.93 -1.16 0.00 0.00 179.01 179.17 1rvg h GLU 39 N 0.45 0.14 -0.01 2.33 5.08 -0.91 -1.88 114.58 119.78 1rvg h GLU 39 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1rvg h GLU 39 Cb 0.44 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1rvg h GLU 39 CO 0.02 0.43 -0.18 1.04 -1.00 0.00 0.00 179.01 179.31 1rvg n GLN 40 N -4.14 1.23 -4.01 2.33 1.13 -0.25 -4.94 117.38 108.73 1rvg n GLN 40 Ca -0.01 -0.78 -0.28 0.00 -1.94 0.00 0.00 57.00 53.98 1rvg n GLN 40 Cb 0.37 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.22 1rvg n GLN 40 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1rvg n ARG 41 N -0.21 -3.53 -4.83 -1.09 1.74 0.70 -0.99 116.66 108.45 1rvg n ARG 41 Ca 0.14 0.42 -0.29 0.00 -0.77 0.00 0.00 57.85 57.35 1rvg n ARG 41 Cb 0.38 -4.78 -0.14 0.00 -1.02 0.00 0.00 32.46 26.89 1rvg n ARG 41 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1rvg s SER 42 N -4.01 3.05 0.82 0.55 0.15 -0.03 -0.62 113.70 113.61 1rvg s SER 42 Ca 0.25 -0.59 -0.11 0.00 0.70 0.00 0.00 55.95 56.20 1rvg s SER 42 Cb -0.13 -0.27 0.08 0.00 -1.71 0.00 0.00 66.02 63.99 1rvg s SER 42 CO 0.89 0.24 1.09 -2.16 1.20 0.00 0.00 173.24 174.50 1rvg s PRO 43 N -1.27 1.89 0.10 5.44 0.04 -1.26 -4.67 135.00 135.28 1rvg s PRO 43 Ca 0.11 1.11 -0.23 0.00 0.04 0.00 0.00 61.00 62.03 1rvg s PRO 43 Cb -0.10 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1rvg s PRO 43 CO 0.02 -1.88 0.57 0.54 0.04 0.00 0.00 177.00 176.29 1rvg s VAL 44 N -2.89 0.01 -0.13 -0.36 0.11 -0.70 -4.69 120.40 111.75 1rvg s VAL 44 Ca 0.62 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.58 1rvg s VAL 44 Cb -0.18 -1.01 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 1rvg s VAL 44 CO 0.56 -0.06 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.44 1rvg s ILE 45 N -3.12 1.89 -0.36 7.04 1.01 -0.54 -2.55 121.20 124.57 1rvg s ILE 45 Ca -0.02 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.54 1rvg s ILE 45 Cb -0.00 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.79 1rvg s ILE 45 CO -0.07 0.52 0.70 -0.76 0.00 0.00 0.00 174.94 175.32 1rvg s LEU 46 N 0.91 4.21 -0.21 2.97 1.43 0.06 -1.15 118.68 126.89 1rvg s LEU 46 Ca -0.06 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 1rvg s LEU 46 Cb -0.15 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 1rvg s LEU 46 CO -0.03 -0.65 0.12 0.00 0.23 0.00 0.00 176.35 176.02 1rvg s ALA 47 N 2.86 3.55 -0.22 4.21 0.00 -0.27 -0.62 121.76 131.27 1rvg s ALA 47 Ca 0.27 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1rvg s ALA 47 Cb -0.14 -2.16 0.05 0.00 0.00 0.00 0.00 23.12 20.88 1rvg s ALA 47 CO 0.16 -0.01 -0.08 -0.51 0.00 0.00 0.00 175.76 175.31 1rvg s LEU 48 N 0.71 2.56 1.01 0.00 1.02 -0.00 -1.43 118.68 122.55 1rvg s LEU 48 Ca 0.06 -1.08 -0.16 0.00 0.02 0.00 0.00 54.13 52.97 1rvg s LEU 48 Cb -0.13 -1.25 0.21 0.00 0.02 0.00 0.00 46.19 45.04 1rvg s LEU 48 CO 0.01 -0.19 1.21 -0.94 0.02 0.00 0.00 176.35 176.47 1rvg s SER 49 N 1.36 2.63 0.43 2.29 1.04 -1.26 -0.86 113.70 119.32 1rvg s SER 49 Ca -0.04 0.55 0.20 0.00 0.48 0.00 0.00 55.95 57.14 1rvg s SER 49 Cb -0.18 -0.79 0.95 0.00 0.10 0.00 0.00 66.02 66.09 1rvg s SER 49 CO -0.07 -3.06 1.87 -0.33 0.98 0.00 0.00 173.24 172.63 1rvg h GLU 50 N -1.86 0.00 -0.41 4.02 5.08 -1.82 -0.91 114.58 118.68 1rvg h GLU 50 Ca -0.46 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.76 1rvg h GLU 50 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1rvg h GLU 50 CO 0.44 0.28 -0.30 0.78 -1.00 0.00 0.00 179.01 179.21 1rvg h GLY 51 N 1.46 1.01 1.57 -3.84 0.00 -1.91 -0.83 103.07 100.53 1rvg h GLY 51 Ca -0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 47.33 46.27 1rvg h GLY 51 CO 0.04 0.89 -0.16 0.00 0.00 0.00 0.00 176.54 177.30 1rvg h ALA 52 N 0.80 1.18 -0.66 3.60 0.00 -1.75 -0.48 119.26 121.96 1rvg h ALA 52 Ca 0.08 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1rvg h ALA 52 Cb 0.89 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1rvg h ALA 52 CO 0.08 0.52 0.17 1.98 0.00 0.00 0.00 179.25 182.01 1rvg h MET 53 N 0.47 1.05 -0.18 0.00 -1.53 -0.76 0.57 114.93 114.55 1rvg h MET 53 Ca 0.08 -0.25 -0.14 0.00 -3.44 0.00 0.00 59.70 55.96 1rvg h MET 53 Cb 0.55 -0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.46 1rvg h MET 53 CO 0.04 0.93 -0.42 -0.22 0.14 0.00 0.00 176.91 177.38 1rvg h LYS 54 N 0.98 0.61 -0.04 0.39 3.64 -0.69 -0.36 116.57 121.10 1rvg h LYS 54 Ca 0.21 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1rvg h LYS 54 Cb 0.35 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1rvg h LYS 54 CO -0.00 1.03 -0.18 -0.92 -2.27 0.00 0.00 179.45 177.11 1rvg h TYR 55 N 0.28 0.26 0.00 1.91 3.20 -0.96 -3.34 116.97 118.31 1rvg h TYR 55 Ca -0.00 -0.11 -0.21 0.00 3.14 0.00 0.00 58.73 61.55 1rvg h TYR 55 Cb 1.03 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 1rvg h TYR 55 CO 0.09 0.81 -1.11 0.78 -1.64 0.00 0.00 178.16 177.10 1rvg h GLY 56 N -0.37 0.00 0.00 1.82 0.00 0.03 -3.49 103.07 101.06 1rvg h GLY 56 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1rvg h GLY 56 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1rvg n GLY 57 N 1.38 1.49 0.32 4.60 0.00 -0.14 -1.99 105.19 110.84 1rvg n GLY 57 Ca -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1rvg n GLY 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1rvg h ARG 58 N 0.00 0.85 -0.38 1.61 9.65 -1.95 -2.34 114.38 121.82 1rvg h ARG 58 Ca 0.00 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1rvg h ARG 58 Cb 0.00 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.39 1rvg h ARG 58 CO 0.00 0.63 0.24 0.00 2.80 0.00 0.00 179.97 183.64 1rvg h ALA 59 N 1.51 0.48 0.18 2.80 0.00 -1.95 0.49 119.26 122.77 1rvg h ALA 59 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1rvg h ALA 59 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1rvg h ALA 59 CO -0.03 -0.08 -0.09 1.25 0.00 0.00 0.00 179.25 180.30 1rvg h LEU 60 N 0.50 -0.21 -1.28 0.00 6.46 -1.09 -2.17 115.31 117.52 1rvg h LEU 60 Ca 0.14 -0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.69 1rvg h LEU 60 Cb -0.04 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1rvg h LEU 60 CO -0.04 0.08 0.18 0.71 -0.62 0.00 0.00 178.44 178.75 1rvg h THR 61 N -0.50 1.18 0.11 1.05 1.35 -1.39 -0.29 112.91 114.42 1rvg h THR 61 Ca -0.03 -0.57 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 1rvg h THR 61 Cb 0.38 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1rvg h THR 61 CO 0.04 0.22 -0.05 0.25 -0.25 0.00 0.00 175.52 175.73 1rvg h LEU 62 N 0.67 -0.13 -0.15 3.87 5.85 -0.84 -1.98 115.31 122.61 1rvg h LEU 62 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1rvg h LEU 62 Cb 0.15 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1rvg h LEU 62 CO -0.01 -0.08 0.09 0.24 -0.34 0.00 0.00 178.44 178.34 1rvg h MET 63 N -0.17 0.19 0.02 1.25 2.86 -0.88 -1.64 114.93 116.56 1rvg h MET 63 Ca -0.02 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1rvg h MET 63 Cb 0.13 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1rvg h MET 63 CO 0.03 0.12 -0.15 0.00 1.06 0.00 0.00 176.91 177.97 1rvg h ALA 64 N 1.05 -0.19 0.27 6.32 0.00 -0.97 -0.50 119.26 125.24 1rvg h ALA 64 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1rvg h ALA 64 Cb -0.02 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rvg h ALA 64 CO -0.01 -0.65 -0.13 0.28 0.00 0.00 0.00 179.25 178.74 1rvg h VAL 65 N -0.26 0.75 -0.66 0.00 2.07 -1.36 -2.50 116.25 114.29 1rvg h VAL 65 Ca 0.05 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1rvg h VAL 65 Cb 0.32 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1rvg h VAL 65 CO -0.14 0.14 0.20 -0.33 0.02 0.00 0.00 177.57 177.46 1rvg h GLU 66 N -0.74 1.04 0.00 1.57 4.39 -1.33 -2.72 114.58 116.78 1rvg h GLU 66 Ca -0.04 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.35 1rvg h GLU 66 Cb 0.50 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1rvg h GLU 66 CO 0.06 0.91 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.33 1rvg h LEU 67 N 0.97 0.00 -0.65 1.33 3.38 -1.19 -2.77 115.31 116.39 1rvg h LEU 67 Ca 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1rvg h LEU 67 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1rvg h LEU 67 CO -0.01 0.41 0.19 0.00 0.09 0.00 0.00 178.44 179.13 1rvg h ALA 68 N 1.59 0.85 -0.38 1.53 0.00 -1.15 -1.48 119.26 120.23 1rvg h ALA 68 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1rvg h ALA 68 Cb 0.82 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1rvg h ALA 68 CO 0.05 0.53 0.20 0.87 0.00 0.00 0.00 179.25 180.90 1rvg h LYS 69 N 0.94 0.51 0.00 0.00 1.57 -1.23 -2.48 116.57 115.88 1rvg h LYS 69 Ca 0.21 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1rvg h LYS 69 Cb 0.31 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1rvg h LYS 69 CO -0.00 0.39 -0.45 0.93 -0.57 0.00 0.00 179.45 179.74 1rvg h GLU 70 N 0.52 0.00 -7.02 3.15 5.08 -1.34 -3.39 114.58 111.58 1rvg h GLU 70 Ca 0.13 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.94 1rvg h GLU 70 Cb 0.03 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.42 1rvg h GLU 70 CO -0.02 0.00 0.60 0.00 -1.00 0.00 0.00 179.01 178.59 1rvg n ALA 71 N -1.90 1.61 -0.12 3.43 0.00 -0.60 -4.79 120.51 118.15 1rvg n ALA 71 Ca 0.03 0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.68 1rvg n ALA 71 Cb 0.46 -2.35 0.26 0.00 0.00 0.00 0.00 19.45 17.82 1rvg n ALA 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rvg n ARG 72 N -0.88 3.28 -4.15 0.00 1.74 -1.26 0.69 116.66 116.08 1rvg n ARG 72 Ca 0.10 -2.07 -0.11 0.00 -0.77 0.00 0.00 57.85 54.99 1rvg n ARG 72 Cb 0.44 -1.86 -0.10 0.00 -1.02 0.00 0.00 32.46 29.92 1rvg n ARG 72 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1rvg s VAL 73 N -1.97 0.66 0.16 1.55 -7.23 -1.26 -4.76 120.40 107.54 1rvg s VAL 73 Ca 0.37 -1.76 -0.31 0.00 -1.81 0.00 0.00 61.98 58.46 1rvg s VAL 73 Cb 0.26 -1.47 -0.09 0.00 0.56 0.00 0.00 36.38 35.64 1rvg s VAL 73 CO 0.14 -0.78 1.41 -2.16 -0.31 0.00 0.00 175.10 173.40 1rvg s PRO 74 N -3.38 4.31 0.01 4.82 0.04 -1.26 0.36 135.00 139.90 1rvg s PRO 74 Ca 0.07 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.29 1rvg s PRO 74 Cb 0.02 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1rvg s PRO 74 CO -0.04 -0.42 -0.09 0.08 0.04 0.00 0.00 177.00 176.57 1rvg s VAL 75 N 0.74 0.67 0.01 -0.36 1.01 0.29 -1.72 120.40 121.05 1rvg s VAL 75 Ca 0.63 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1rvg s VAL 75 Cb -0.39 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1rvg s VAL 75 CO 0.34 0.06 -0.19 0.00 0.00 0.00 0.00 175.10 175.30 1rvg s ALA 76 N -0.47 1.63 -0.29 5.51 0.00 -1.05 -0.73 121.76 126.36 1rvg s ALA 76 Ca 0.01 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 1rvg s ALA 76 Cb -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1rvg s ALA 76 CO 0.00 0.38 0.12 0.08 0.00 0.00 0.00 175.76 176.34 1rvg s VAL 77 N -0.62 4.41 -0.11 0.00 1.01 -1.26 -0.76 120.40 123.06 1rvg s VAL 77 Ca 0.07 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1rvg s VAL 77 Cb -0.08 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1rvg s VAL 77 CO 0.00 0.13 -0.15 -2.28 0.00 0.00 0.00 175.10 172.81 1rvg s HIS 78 N 1.59 2.75 -0.31 5.22 5.04 0.21 -1.48 115.29 128.31 1rvg s HIS 78 Ca 0.05 -0.63 -0.27 0.00 -1.54 0.00 0.00 55.06 52.67 1rvg s HIS 78 Cb -0.17 -1.79 0.01 0.00 0.04 0.00 0.00 32.58 30.68 1rvg s HIS 78 CO 0.05 -0.18 0.96 -1.17 -2.34 0.00 0.00 174.74 172.05 1rvg s LEU 79 N 0.18 4.01 -0.05 8.88 0.20 -0.35 -0.82 118.68 130.73 1rvg s LEU 79 Ca -0.09 0.93 -0.18 0.00 0.69 0.00 0.00 54.13 55.48 1rvg s LEU 79 Cb -0.15 -3.36 -0.05 0.00 -0.43 0.00 0.00 46.19 42.20 1rvg s LEU 79 CO 0.05 -0.76 0.50 -0.62 -0.29 0.00 0.00 176.35 175.24 1rvg s ASP 80 N 1.60 6.82 -1.26 3.68 3.68 -0.04 -1.41 116.67 129.74 1rvg s ASP 80 Ca 0.40 0.97 -0.08 0.00 2.13 0.00 0.00 52.55 55.98 1rvg s ASP 80 Cb -0.13 -2.31 -0.01 0.00 -1.45 0.00 0.00 42.92 39.02 1rvg s ASP 80 CO 0.13 0.11 0.67 1.41 0.13 0.00 0.00 175.17 177.63 1rvg n HIS 81 N 2.89 -1.88 -2.16 -5.34 8.25 -1.26 -3.59 115.22 112.13 1rvg n HIS 81 Ca -0.09 0.68 -0.42 0.00 -0.26 0.00 0.00 57.72 57.63 1rvg n HIS 81 Cb 0.52 -3.87 -0.03 0.00 1.12 0.00 0.00 29.99 27.72 1rvg n HIS 81 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1rvg s GLY 82 N -3.99 1.90 0.00 -1.41 0.00 0.28 -4.62 107.32 99.48 1rvg s GLY 82 Ca 0.20 1.07 0.21 0.00 0.00 0.00 0.00 44.72 46.20 1rvg s GLY 82 CO 0.84 2.44 0.98 -1.14 0.00 0.00 0.00 173.10 176.22 1rvg n SER 83 N 4.44 1.67 -4.00 1.64 3.41 -1.26 -0.48 113.62 119.05 1rvg n SER 83 Ca 0.12 -1.34 -0.09 0.00 -0.26 0.00 0.00 58.87 57.31 1rvg n SER 83 Cb 0.42 0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 64.94 1rvg n SER 83 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rvg s SER 84 N -2.50 -0.10 0.14 4.04 1.04 -1.26 -4.93 113.70 110.14 1rvg s SER 84 Ca 0.15 -0.92 -0.12 0.00 0.48 0.00 0.00 55.95 55.53 1rvg s SER 84 Cb 0.16 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1rvg s SER 84 CO 0.61 -1.14 1.58 0.22 0.98 0.00 0.00 173.24 175.49 1rvg h TYR 85 N 2.25 0.96 0.00 5.02 3.20 -1.95 -2.59 116.97 123.86 1rvg h TYR 85 Ca -0.26 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.38 1rvg h TYR 85 Cb 1.25 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1rvg h TYR 85 CO 0.40 0.93 -0.21 1.05 -1.64 0.00 0.00 178.16 178.69 1rvg h GLU 86 N 0.71 0.00 -0.23 1.82 9.09 -1.98 -0.88 114.58 123.10 1rvg h GLU 86 Ca 0.13 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.35 1rvg h GLU 86 Cb 0.58 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.68 1rvg h GLU 86 CO 0.03 0.21 -0.59 1.03 0.05 0.00 0.00 179.01 179.75 1rvg h SER 87 N 0.00 0.85 -0.52 3.06 0.87 -1.91 -2.22 113.55 113.67 1rvg h SER 87 Ca -0.00 -0.47 -0.11 0.00 -1.23 0.00 0.00 61.79 59.98 1rvg h SER 87 Cb 0.80 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1rvg h SER 87 CO 0.03 1.25 -0.08 0.58 -0.53 0.00 0.00 176.83 178.08 1rvg h VAL 88 N 0.57 1.27 -0.53 2.23 2.07 -1.06 -2.29 116.25 118.51 1rvg h VAL 88 Ca 0.00 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1rvg h VAL 88 Cb 1.18 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1rvg h VAL 88 CO 0.12 0.43 0.18 -0.07 0.02 0.00 0.00 177.57 178.26 1rvg h LEU 89 N 0.90 0.70 -0.89 2.57 3.38 -1.02 0.15 115.31 121.09 1rvg h LEU 89 Ca 0.15 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1rvg h LEU 89 Cb 0.63 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1rvg h LEU 89 CO 0.04 0.66 -0.39 0.03 0.09 0.00 0.00 178.44 178.87 1rvg h ARG 90 N 0.76 0.33 -0.24 1.13 3.08 -1.12 0.34 114.38 118.66 1rvg h ARG 90 Ca 0.18 -0.15 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 1rvg h ARG 90 Cb 0.19 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1rvg h ARG 90 CO -0.01 0.67 -0.52 0.00 -1.07 0.00 0.00 179.97 179.04 1rvg h ALA 91 N 1.31 0.63 -0.48 0.04 0.00 -0.77 -0.10 119.26 119.90 1rvg h ALA 91 Ca 0.03 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1rvg h ALA 91 Cb 0.82 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1rvg h ALA 91 CO 0.06 0.68 0.00 -0.07 0.00 0.00 0.00 179.25 179.93 1rvg h LEU 92 N 0.54 0.76 -0.82 0.00 3.38 -0.66 -1.67 115.31 116.84 1rvg h LEU 92 Ca 0.02 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1rvg h LEU 92 Cb 1.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1rvg h LEU 92 CO 0.11 0.82 -0.21 -0.09 0.09 0.00 0.00 178.44 179.15 1rvg h ARG 93 N 0.74 0.65 0.00 1.13 9.65 -0.63 -2.71 114.38 123.21 1rvg h ARG 93 Ca 0.14 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1rvg h ARG 93 Cb 0.45 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1rvg h ARG 93 CO 0.02 0.82 0.00 0.00 2.80 0.00 0.00 179.97 183.61 1rvg n ALA 94 N -2.49 2.51 -1.06 2.80 0.00 -0.08 -4.89 120.51 117.31 1rvg n ALA 94 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1rvg n ALA 94 Cb 0.41 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 1rvg n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rvg n GLY 95 N 0.54 0.54 3.73 0.00 0.00 -1.02 -4.89 105.19 104.08 1rvg n GLY 95 Ca 0.02 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 1rvg n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rvg s PHE 96 N -2.04 2.13 -0.18 1.61 0.40 -0.68 -4.95 117.98 114.27 1rvg s PHE 96 Ca 0.00 1.64 0.02 0.00 -0.60 0.00 0.00 56.93 57.99 1rvg s PHE 96 Cb 0.00 -3.30 0.04 0.00 0.51 0.00 0.00 43.02 40.26 1rvg s PHE 96 CO 0.00 -2.35 0.85 0.25 0.70 0.00 0.00 175.22 174.67 1rvg n THR 97 N -3.24 0.61 -3.67 0.64 -2.24 -0.55 -4.83 114.28 101.00 1rvg n THR 97 Ca 0.12 -0.81 -0.13 0.00 -2.27 0.00 0.00 64.05 60.96 1rvg n THR 97 Cb 0.52 0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 69.37 1rvg n THR 97 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rvg s SER 98 N -0.67 -0.65 0.00 3.42 0.15 -0.80 -3.05 113.70 112.11 1rvg s SER 98 Ca 0.03 1.22 -0.01 0.00 0.70 0.00 0.00 55.95 57.89 1rvg s SER 98 Cb 0.02 1.21 -0.00 0.00 -1.71 0.00 0.00 66.02 65.54 1rvg s SER 98 CO 0.02 -0.21 0.01 0.68 1.20 0.00 0.00 173.24 174.95 1rvg s VAL 99 N 0.49 0.04 -0.20 4.45 -7.23 -0.75 -1.21 120.40 115.98 1rvg s VAL 99 Ca -0.01 -0.31 -0.04 0.00 -1.81 0.00 0.00 61.98 59.81 1rvg s VAL 99 Cb -0.04 -0.13 -0.01 0.00 0.56 0.00 0.00 36.38 36.76 1rvg s VAL 99 CO -0.02 -0.17 -0.05 -0.32 -0.31 0.00 0.00 175.10 174.24 1rvg s MET 100 N -0.50 3.43 -0.33 4.82 -2.45 -0.50 0.00 119.30 123.78 1rvg s MET 100 Ca -0.06 -0.61 -0.11 0.00 -1.25 0.00 0.00 55.69 53.67 1rvg s MET 100 Cb -0.03 -2.97 -0.01 0.00 1.25 0.00 0.00 34.83 33.07 1rvg s MET 100 CO -0.00 -0.09 0.19 -1.50 1.05 0.00 0.00 175.02 174.67 1rvg s ILE 101 N 1.20 4.84 -0.41 10.11 1.10 -0.24 -0.56 121.20 137.25 1rvg s ILE 101 Ca 0.02 -0.39 -0.12 0.00 -0.51 0.00 0.00 60.65 59.66 1rvg s ILE 101 Cb -0.14 -3.50 0.04 0.00 0.15 0.00 0.00 42.46 39.01 1rvg s ILE 101 CO -0.01 0.01 0.27 -0.62 -2.11 0.00 0.00 174.94 172.48 1rvg s ASP 102 N 1.65 5.87 -0.09 4.50 3.68 0.37 -4.04 116.67 128.61 1rvg s ASP 102 Ca 0.05 -1.14 0.24 0.00 2.13 0.00 0.00 52.55 53.83 1rvg s ASP 102 Cb -0.17 -2.07 0.45 0.00 -1.45 0.00 0.00 42.92 39.67 1rvg s ASP 102 CO 0.08 -0.48 1.16 0.29 0.13 0.00 0.00 175.17 176.35 1rvg n LYS 103 N 5.05 0.64 0.00 4.34 4.76 -1.26 -4.70 118.16 126.99 1rvg n LYS 103 Ca -0.11 -2.53 0.07 0.00 -2.87 0.00 0.00 58.31 52.87 1rvg n LYS 103 Cb 0.45 -0.58 0.32 0.00 -1.84 0.00 0.00 35.03 33.38 1rvg n LYS 103 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1rvg n SER 104 N 0.07 0.00 -0.66 4.39 3.41 -1.25 -1.42 113.62 118.17 1rvg n SER 104 Ca 0.08 0.47 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 1rvg n SER 104 Cb 1.02 -0.48 0.37 0.00 -0.26 0.00 0.00 64.21 64.87 1rvg n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rvg n HIS 105 N -1.48 0.11 -4.00 7.33 1.44 -1.26 -4.63 115.22 112.73 1rvg n HIS 105 Ca 0.04 -0.06 -0.22 0.00 -2.01 0.00 0.00 57.72 55.47 1rvg n HIS 105 Cb 0.17 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.23 1rvg n HIS 105 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1rvg s GLU 106 N -1.89 2.69 0.97 -1.40 2.56 -0.51 -5.11 118.70 116.02 1rvg s GLU 106 Ca 0.35 -1.27 -0.12 0.00 0.00 0.00 0.00 54.97 53.93 1rvg s GLU 106 Cb 0.20 -2.43 0.17 0.00 2.00 0.00 0.00 34.13 34.07 1rvg s GLU 106 CO 0.31 0.22 1.09 0.16 -0.56 0.00 0.00 175.26 176.47 1rvg s ASP 107 N -3.89 2.77 0.18 -1.70 3.84 -1.26 -4.60 116.67 112.00 1rvg s ASP 107 Ca 0.37 1.57 -0.16 0.00 -0.00 0.00 0.00 52.55 54.32 1rvg s ASP 107 Cb -0.06 -2.23 0.14 0.00 -1.38 0.00 0.00 42.92 39.39 1rvg s ASP 107 CO 0.25 -3.09 1.65 0.15 -0.00 0.00 0.00 175.17 174.13 1rvg h PHE 108 N -1.86 -0.29 -0.64 2.11 3.04 -1.97 0.23 116.94 117.56 1rvg h PHE 108 Ca -0.52 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.43 1rvg h PHE 108 Cb 1.30 0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.98 1rvg h PHE 108 CO 0.39 -0.22 0.21 0.93 -2.02 0.00 0.00 178.31 177.60 1rvg h GLU 109 N -0.02 0.98 -0.23 1.11 4.39 -1.99 -0.23 114.58 118.59 1rvg h GLU 109 Ca 0.23 -0.19 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1rvg h GLU 109 Cb 0.36 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1rvg h GLU 109 CO -0.49 0.83 -0.19 1.15 -1.16 0.00 0.00 179.01 179.15 1rvg h THR 110 N 0.95 1.32 -0.86 1.13 2.02 -1.76 0.03 112.91 115.73 1rvg h THR 110 Ca 0.21 -1.33 0.01 0.00 0.77 0.00 0.00 66.41 66.06 1rvg h THR 110 Cb 0.26 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1rvg h THR 110 CO -0.01 0.41 0.56 -1.13 0.37 0.00 0.00 175.52 175.72 1rvg h ASN 111 N 0.23 0.99 -0.09 4.18 -0.73 -0.80 -0.99 115.58 118.38 1rvg h ASN 111 Ca 0.04 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1rvg h ASN 111 Cb 0.73 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 39.07 1rvg h ASN 111 CO 0.05 0.72 0.01 0.58 -0.37 0.00 0.00 177.43 178.43 1rvg h VAL 112 N 1.16 1.22 0.09 2.57 2.07 -0.87 -0.82 116.25 121.67 1rvg h VAL 112 Ca 0.31 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1rvg h VAL 112 Cb -0.12 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1rvg h VAL 112 CO -0.07 0.19 -0.04 -0.09 0.02 0.00 0.00 177.57 177.58 1rvg h ARG 113 N -0.10 -0.12 -0.58 1.57 2.43 -0.74 0.11 114.38 116.96 1rvg h ARG 113 Ca 0.03 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 1rvg h ARG 113 Cb 0.29 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1rvg h ARG 113 CO 0.00 -0.02 -0.05 0.93 -1.51 0.00 0.00 179.97 179.32 1rvg h GLU 114 N -0.18 1.05 -0.59 0.20 5.08 -1.23 -1.65 114.58 117.26 1rvg h GLU 114 Ca -0.01 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1rvg h GLU 114 Cb 0.15 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1rvg h GLU 114 CO 0.02 1.06 0.22 1.15 -1.00 0.00 0.00 179.01 180.46 1rvg h THR 115 N 0.94 1.23 -0.77 1.13 2.02 -1.09 -2.36 112.91 114.01 1rvg h THR 115 Ca 0.16 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1rvg h THR 115 Cb 0.62 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1rvg h THR 115 CO 0.04 0.29 0.45 -0.09 0.37 0.00 0.00 175.52 176.58 1rvg h ARG 116 N 0.82 1.05 -0.54 6.66 9.65 -0.72 -0.24 114.38 131.05 1rvg h ARG 116 Ca 0.19 -0.10 -0.11 0.00 -1.10 0.00 0.00 59.98 58.87 1rvg h ARG 116 Cb 0.23 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 1rvg h ARG 116 CO -0.01 0.74 -0.10 -0.09 2.80 0.00 0.00 179.97 183.31 1rvg h ARG 117 N 1.06 1.02 -0.07 0.20 2.43 -0.97 -2.28 114.38 115.78 1rvg h ARG 117 Ca 0.28 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1rvg h ARG 117 Cb -0.03 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1rvg h ARG 117 CO -0.05 1.05 0.03 0.28 -1.51 0.00 0.00 179.97 179.78 1rvg h VAL 118 N 0.91 1.10 -0.61 0.20 2.07 -0.91 -2.61 116.25 116.40 1rvg h VAL 118 Ca 0.14 -0.29 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1rvg h VAL 118 Cb 0.66 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 1rvg h VAL 118 CO 0.05 0.09 0.19 0.58 0.02 0.00 0.00 177.57 178.49 1rvg h VAL 119 N -0.00 0.70 -0.55 2.57 2.07 -0.86 0.74 116.25 120.91 1rvg h VAL 119 Ca 0.02 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1rvg h VAL 119 Cb 0.11 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1rvg h VAL 119 CO -0.00 0.06 0.29 -0.33 0.02 0.00 0.00 177.57 177.61 1rvg h GLU 120 N 0.34 0.77 -0.05 1.57 5.08 -1.31 0.14 114.58 121.13 1rvg h GLU 120 Ca 0.32 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1rvg h GLU 120 Cb 0.44 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1rvg h GLU 120 CO -0.35 0.61 -0.01 0.00 -1.00 0.00 0.00 179.01 178.25 1rvg h ALA 121 N 1.13 0.06 -0.20 3.43 0.00 -0.99 -2.16 119.26 120.53 1rvg h ALA 121 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rvg h ALA 121 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1rvg h ALA 121 CO -0.03 -0.23 0.08 0.00 0.00 0.00 0.00 179.25 179.06 1rvg h ALA 122 N 0.66 0.26 0.00 0.00 0.00 -0.81 -2.60 119.26 116.77 1rvg h ALA 122 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1rvg h ALA 122 Cb 0.40 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rvg h ALA 122 CO 0.00 -0.15 -0.12 0.45 0.00 0.00 0.00 179.25 179.44 1rvg h HIS 123 N 0.16 0.00 0.00 0.00 -0.00 -0.67 0.12 115.15 114.76 1rvg h HIS 123 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1rvg h HIS 123 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1rvg h HIS 123 CO -0.01 0.12 -0.01 0.00 -0.00 0.00 0.00 177.93 178.03 1rvg h ALA 124 N 1.88 1.01 0.00 2.45 0.00 -0.98 -2.80 119.26 120.83 1rvg h ALA 124 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rvg h ALA 124 Cb 0.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rvg h ALA 124 CO 0.02 0.01 -0.35 1.33 0.00 0.00 0.00 179.25 180.26 1rvg n VAL 125 N -3.11 2.08 -1.68 0.00 0.24 -0.43 -4.98 118.33 110.45 1rvg n VAL 125 Ca -0.00 -2.90 -0.15 0.00 -2.04 0.00 0.00 64.34 59.24 1rvg n VAL 125 Cb 0.24 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.34 1rvg n VAL 125 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rvg n GLY 126 N -1.20 1.03 3.72 7.63 0.00 -0.98 -5.01 105.19 110.38 1rvg n GLY 126 Ca 0.18 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1rvg n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rvg s VAL 127 N -2.62 4.78 0.28 1.61 1.01 0.27 -4.91 120.40 120.83 1rvg s VAL 127 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1rvg s VAL 127 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1rvg s VAL 127 CO 0.00 0.57 0.46 0.42 0.00 0.00 0.00 175.10 176.54 1rvg s THR 128 N -0.55 5.17 0.06 3.92 -4.23 -1.19 -3.18 115.64 115.64 1rvg s THR 128 Ca 0.11 -0.56 0.03 0.00 -1.18 0.00 0.00 61.69 60.09 1rvg s THR 128 Cb -0.12 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 1rvg s THR 128 CO 0.02 -0.39 -0.10 0.68 -0.54 0.00 0.00 174.62 174.29 1rvg s VAL 129 N -2.10 0.79 -0.08 2.29 -7.23 -1.26 -1.81 120.40 110.99 1rvg s VAL 129 Ca 0.38 -1.26 -0.01 0.00 -1.81 0.00 0.00 61.98 59.29 1rvg s VAL 129 Cb -0.10 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 1rvg s VAL 129 CO 0.32 -0.37 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.00 1rvg s GLU 130 N -1.87 2.91 0.20 4.82 2.12 0.10 -1.02 118.70 125.96 1rvg s GLU 130 Ca -0.05 -0.49 0.03 0.00 0.36 0.00 0.00 54.97 54.83 1rvg s GLU 130 Cb -0.09 -2.70 -0.05 0.00 0.26 0.00 0.00 34.13 31.56 1rvg s GLU 130 CO 0.01 0.65 -0.03 0.00 -0.54 0.00 0.00 175.26 175.35 1rvg s ALA 131 N -0.75 1.63 -0.09 6.30 0.00 -1.03 -1.07 121.76 126.74 1rvg s ALA 131 Ca 0.11 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.43 1rvg s ALA 131 Cb -0.11 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.40 1rvg s ALA 131 CO 0.02 -0.22 -0.10 -2.00 0.00 0.00 0.00 175.76 173.46 1rvg s GLU 132 N -3.84 1.66 -0.18 0.00 2.12 -1.26 -1.03 118.70 116.18 1rvg s GLU 132 Ca 0.24 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.23 1rvg s GLU 132 Cb 0.05 -1.54 0.02 0.00 0.26 0.00 0.00 34.13 32.92 1rvg s GLU 132 CO 0.05 -0.12 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.30 1rvg s LEU 133 N 1.19 2.23 0.00 2.70 2.96 -1.16 -3.74 118.68 122.86 1rvg s LEU 133 Ca -0.04 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.25 1rvg s LEU 133 Cb -0.14 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.04 1rvg s LEU 133 CO -0.03 0.00 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 1rvg n GLY 134 N 4.60 2.85 3.22 7.98 0.00 -1.26 -4.12 105.19 118.46 1rvg n GLY 134 Ca -0.21 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 1rvg n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rvg s ARG 135 N -2.73 3.15 -0.03 1.61 1.81 -0.16 -4.80 118.95 117.79 1rvg s ARG 135 Ca 0.00 -0.78 -0.30 0.00 -1.72 0.00 0.00 55.73 52.93 1rvg s ARG 135 Cb 0.00 -2.60 -0.06 0.00 -0.45 0.00 0.00 34.95 31.84 1rvg s ARG 135 CO 0.00 -0.05 1.53 -0.51 -0.68 0.00 0.00 175.30 175.59 1rvg s LEU 136 N 0.95 4.31 0.05 2.53 1.43 -1.26 -4.63 118.68 122.06 1rvg s LEU 136 Ca -0.03 2.18 -0.27 0.00 -1.03 0.00 0.00 54.13 54.98 1rvg s LEU 136 Cb -0.15 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.60 1rvg s LEU 136 CO -0.03 -0.83 0.67 0.00 0.23 0.00 0.00 176.35 176.39 1rvg s ALA 137 N 3.21 -1.70 0.48 4.21 0.00 -1.13 -4.90 121.76 121.94 1rvg s ALA 137 Ca 0.68 0.91 -0.23 0.00 0.00 0.00 0.00 51.96 53.32 1rvg s ALA 137 Cb -0.32 0.42 -0.07 0.00 0.00 0.00 0.00 23.12 23.15 1rvg s ALA 137 CO 0.27 -0.58 1.28 0.20 0.00 0.00 0.00 175.76 176.93 1rvg s GLY 138 N -2.03 2.86 0.23 0.00 0.00 -1.26 -4.38 107.32 102.74 1rvg s GLY 138 Ca -0.04 1.17 0.09 0.00 0.00 0.00 0.00 44.72 45.95 1rvg s GLY 138 CO -0.03 1.68 -0.03 -0.42 0.00 0.00 0.00 173.10 174.30 1rvg s ILE 139 N -1.38 3.39 0.00 0.90 1.01 -1.26 -4.59 121.20 119.28 1rvg s ILE 139 Ca 0.65 -1.80 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1rvg s ILE 139 Cb -0.36 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1rvg s ILE 139 CO 0.43 -0.28 0.00 1.21 0.00 0.00 0.00 174.94 176.31 1rvg n GLU 140 N -0.56 0.00 -2.72 2.79 0.00 -1.26 -4.35 120.64 114.54 1rvg n GLU 140 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.00 1rvg n GLU 140 Cb 0.58 0.00 0.09 0.00 0.00 0.00 0.00 31.44 32.11 1rvg n GLU 140 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1rvg n GLU 141 N -0.73 0.84 0.00 5.31 0.00 -1.26 -5.17 120.64 119.63 1rvg n GLU 141 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 57.16 55.48 1rvg n GLU 141 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 31.44 30.56 1rvg n GLU 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1rvg n LYS 148 N 0.46 0.00 -3.01 5.31 3.00 -1.26 -5.07 118.16 117.59 1rvg n LYS 148 Ca 0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.02 1rvg n LYS 148 Cb 0.71 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.67 1rvg n LYS 148 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1rvg s ASP 149 N 0.00 6.89 0.47 3.14 2.15 -1.26 -4.94 116.67 123.12 1rvg s ASP 149 Ca 0.00 1.46 0.33 0.00 0.43 0.00 0.00 52.55 54.77 1rvg s ASP 149 Cb 0.00 -2.44 1.46 0.00 -0.30 0.00 0.00 42.92 41.64 1rvg s ASP 149 CO 0.00 -0.22 1.65 0.00 -0.17 0.00 0.00 175.17 176.43 1rvg h ALA 150 N 2.31 2.92 -0.12 3.66 0.00 -2.00 -3.17 119.26 122.85 1rvg h ALA 150 Ca -0.48 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 1rvg h ALA 150 Cb 1.18 0.16 -0.30 0.00 0.00 0.00 0.00 17.79 18.83 1rvg h ALA 150 CO 0.64 -1.48 -0.79 1.28 0.00 0.00 0.00 179.25 178.90 1rvg n LEU 151 N -4.50 0.36 -4.85 0.00 7.99 -1.26 -5.08 117.00 109.66 1rvg n LEU 151 Ca 0.36 -2.49 -0.30 0.00 -0.01 0.00 0.00 56.01 53.58 1rvg n LEU 151 Cb 1.45 0.15 0.08 0.00 -0.11 0.00 0.00 43.42 44.99 1rvg n LEU 151 CO 0.27 1.05 0.74 -0.76 -1.51 0.00 0.00 177.39 177.18 1rvg s LEU 152 N -1.75 2.65 -0.04 2.23 1.43 -1.20 -0.99 118.68 121.01 1rvg s LEU 152 Ca 0.21 1.13 -0.30 0.00 -1.03 0.00 0.00 54.13 54.14 1rvg s LEU 152 Cb 0.30 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1rvg s LEU 152 CO -0.09 -1.77 1.43 -0.89 0.23 0.00 0.00 176.35 175.26 1rvg s THR 153 N -3.31 3.79 -0.14 5.49 2.01 -0.97 -4.79 115.64 117.71 1rvg s THR 153 Ca 0.60 1.10 -0.24 0.00 0.31 0.00 0.00 61.69 63.46 1rvg s THR 153 Cb -0.13 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1rvg s THR 153 CO 0.52 -0.04 0.74 0.21 -0.69 0.00 0.00 174.62 175.37 1rvg s ASN 154 N 2.19 6.90 0.16 3.53 3.84 -1.26 -4.95 114.94 125.35 1rvg s ASN 154 Ca 0.64 1.10 -0.23 0.00 0.21 0.00 0.00 52.86 54.58 1rvg s ASN 154 Cb -0.30 -2.41 0.05 0.00 -0.55 0.00 0.00 41.25 38.03 1rvg s ASN 154 CO 0.25 -0.27 1.61 -0.65 -2.79 0.00 0.00 177.10 175.25 1rvg h PRO 155 N 7.18 -0.25 -0.54 0.43 0.11 -1.91 0.99 132.00 138.02 1rvg h PRO 155 Ca -0.34 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 1rvg h PRO 155 Cb 1.16 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1rvg h PRO 155 CO 0.79 -0.17 0.17 1.49 -0.21 0.00 0.00 178.00 180.07 1rvg h GLU 156 N -0.26 0.84 -0.71 1.05 4.22 -1.94 -1.78 114.58 116.00 1rvg h GLU 156 Ca 0.16 -0.18 -0.04 0.00 0.08 0.00 0.00 59.36 59.38 1rvg h GLU 156 Cb 0.51 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1rvg h GLU 156 CO -0.47 0.77 0.30 0.93 -2.18 0.00 0.00 179.01 178.36 1rvg h GLU 157 N 0.75 1.04 -0.51 1.92 5.08 -1.90 -1.34 114.58 119.62 1rvg h GLU 157 Ca 0.17 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1rvg h GLU 157 Cb 0.28 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1rvg h GLU 157 CO -0.01 0.84 0.30 0.00 -1.00 0.00 0.00 179.01 179.15 1rvg h ALA 158 N 1.30 0.65 -0.13 3.43 0.00 -0.38 0.42 119.26 124.54 1rvg h ALA 158 Ca 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1rvg h ALA 158 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rvg h ALA 158 CO -0.02 0.01 0.08 -0.09 0.00 0.00 0.00 179.25 179.23 1rvg h ARG 159 N 0.61 0.18 -0.33 0.00 2.43 -0.77 -1.63 114.38 114.87 1rvg h ARG 159 Ca 0.20 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1rvg h ARG 159 Cb 0.01 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1rvg h ARG 159 CO -0.09 0.16 0.10 0.82 -1.51 0.00 0.00 179.97 179.44 1rvg h ILE 160 N 0.14 0.88 -0.14 1.20 2.04 -0.71 -1.80 117.51 119.13 1rvg h ILE 160 Ca 0.05 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1rvg h ILE 160 Cb 0.03 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1rvg h ILE 160 CO -0.01 0.04 -0.15 0.15 0.00 0.00 0.00 178.15 178.18 1rvg h PHE 161 N 0.23 -0.37 -0.56 1.37 3.57 0.13 -0.24 116.94 121.06 1rvg h PHE 161 Ca 0.15 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 1rvg h PHE 161 Cb 0.14 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1rvg h PHE 161 CO -0.15 -0.22 0.08 0.52 -2.23 0.00 0.00 178.31 176.31 1rvg h MET 162 N -0.18 0.89 -0.36 1.11 2.86 -1.15 -0.42 114.93 117.69 1rvg h MET 162 Ca 0.10 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1rvg h MET 162 Cb 0.32 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1rvg h MET 162 CO -0.24 0.84 -0.00 0.93 1.06 0.00 0.00 176.91 179.49 1rvg h GLU 163 N 0.85 0.63 -0.02 1.72 5.08 -0.93 -0.44 114.58 121.46 1rvg h GLU 163 Ca 0.17 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1rvg h GLU 163 Cb 0.39 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1rvg h GLU 163 CO 0.01 0.75 -0.75 0.00 -1.00 0.00 0.00 179.01 178.02 1rvg h ARG 164 N 0.44 0.17 0.04 2.33 3.08 -0.90 -3.33 114.38 116.21 1rvg h ARG 164 Ca 0.10 -0.15 -0.31 0.00 0.07 0.00 0.00 59.98 59.69 1rvg h ARG 164 Cb 0.47 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1rvg h ARG 164 CO 0.02 0.84 -1.76 1.79 -1.07 0.00 0.00 179.97 179.79 1rvg h THR 165 N 0.11 0.83 -0.00 2.04 1.35 -1.09 -3.47 112.91 112.67 1rvg h THR 165 Ca -0.02 -2.63 -0.00 0.00 -0.55 0.00 0.00 66.41 63.21 1rvg h THR 165 Cb 1.31 2.48 -0.00 0.00 -1.73 0.00 0.00 68.15 70.21 1rvg h THR 165 CO 0.11 0.64 -0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1rvg n GLY 166 N 1.68 0.46 3.72 5.82 0.00 -0.18 -4.56 105.19 112.12 1rvg n GLY 166 Ca -0.21 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1rvg n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rvg s ALA 167 N -2.00 2.08 -0.04 4.61 0.00 -1.25 -4.98 121.76 120.19 1rvg s ALA 167 Ca 0.00 0.91 0.10 0.00 0.00 0.00 0.00 51.96 52.97 1rvg s ALA 167 Cb 0.00 -3.49 -0.23 0.00 0.00 0.00 0.00 23.12 19.40 1rvg s ALA 167 CO 0.00 -1.94 0.68 -0.44 0.00 0.00 0.00 175.76 174.06 1rvg h ASP 168 N -0.33 0.05 -5.07 0.00 5.19 -1.47 -3.48 116.42 111.31 1rvg h ASP 168 Ca -0.48 -0.11 -0.12 0.00 -0.62 0.00 0.00 57.03 55.71 1rvg h ASP 168 Cb 1.30 -0.02 -0.18 0.00 0.18 0.00 0.00 39.33 40.62 1rvg h ASP 168 CO 0.49 1.10 -0.46 -0.72 -3.12 0.00 0.00 179.24 176.53 1rvg s TYR 169 N -2.60 0.12 -0.07 4.55 -0.85 -1.00 -4.12 117.35 113.38 1rvg s TYR 169 Ca -0.06 -0.36 0.03 0.00 -0.52 0.00 0.00 57.07 56.16 1rvg s TYR 169 Cb 0.08 -0.08 0.01 0.00 0.38 0.00 0.00 41.96 42.35 1rvg s TYR 169 CO 0.82 -0.39 -0.15 -1.17 -1.52 0.00 0.00 175.55 173.15 1rvg s LEU 170 N -2.03 1.76 -0.04 -3.49 2.96 -0.98 -2.45 118.68 114.40 1rvg s LEU 170 Ca -0.06 -0.35 -0.28 0.00 -0.22 0.00 0.00 54.13 53.22 1rvg s LEU 170 Cb -0.02 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 1rvg s LEU 170 CO -0.04 0.07 0.92 0.00 -1.32 0.00 0.00 176.35 175.99 1rvg s ALA 171 N 0.52 3.26 0.02 5.97 0.00 -0.19 0.13 121.76 131.46 1rvg s ALA 171 Ca -0.14 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.30 1rvg s ALA 171 Cb -0.15 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1rvg s ALA 171 CO 0.04 -0.30 -0.20 0.14 0.00 0.00 0.00 175.76 175.45 1rvg s VAL 172 N 1.22 2.66 -0.51 0.00 -7.23 -0.63 -2.96 120.40 112.94 1rvg s VAL 172 Ca 0.48 -1.14 -0.18 0.00 -1.81 0.00 0.00 61.98 59.33 1rvg s VAL 172 Cb -0.20 -2.08 0.07 0.00 0.56 0.00 0.00 36.38 34.74 1rvg s VAL 172 CO 0.23 0.40 0.57 0.00 -0.31 0.00 0.00 175.10 176.00 1rvg s ALA 173 N -0.85 3.45 -0.06 1.32 0.00 -1.26 -4.71 121.76 119.66 1rvg s ALA 173 Ca 0.13 -1.97 0.10 0.00 0.00 0.00 0.00 51.96 50.22 1rvg s ALA 173 Cb -0.10 -3.30 0.17 0.00 0.00 0.00 0.00 23.12 19.88 1rvg s ALA 173 CO 0.03 -1.99 1.08 0.44 0.00 0.00 0.00 175.76 175.33 1rvg n ILE 174 N 5.47 0.90 0.00 0.00 -5.35 -1.26 -2.30 119.36 116.82 1rvg n ILE 174 Ca -0.09 -1.17 0.00 0.00 -0.27 0.00 0.00 62.75 61.22 1rvg n ILE 174 Cb 0.44 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 1rvg n ILE 174 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rvg n GLY 175 N -0.62 1.36 3.92 3.28 0.00 -1.26 -1.16 105.19 110.70 1rvg n GLY 175 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1rvg n GLY 175 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rvg s THR 176 N -0.64 2.00 0.05 2.61 -4.23 -1.26 -4.13 115.64 110.04 1rvg s THR 176 Ca 0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.24 1rvg s THR 176 Cb 0.00 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.93 1rvg s THR 176 CO 0.00 0.00 0.88 -0.94 -0.54 0.00 0.00 174.62 174.02 1rvg s SER 177 N -4.74 -0.33 0.43 3.99 1.04 -1.26 -2.83 113.70 110.00 1rvg s SER 177 Ca 0.68 -0.12 -0.19 0.00 0.48 0.00 0.00 55.95 56.81 1rvg s SER 177 Cb -0.07 0.43 -0.10 0.00 0.10 0.00 0.00 66.02 66.38 1rvg s SER 177 CO 0.51 -0.73 0.92 -1.00 0.98 0.00 0.00 173.24 173.92 1rvg s HIS 178 N -3.22 3.35 0.00 5.02 3.76 -1.26 -4.38 115.29 118.55 1rvg s HIS 178 Ca 0.07 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.48 1rvg s HIS 178 Cb -0.01 -2.78 0.00 0.00 1.11 0.00 0.00 32.58 30.90 1rvg s HIS 178 CO -0.06 -0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.12 1rvg n GLY 179 N -0.78 0.98 0.07 -2.22 0.00 -1.26 -4.73 105.19 97.25 1rvg n GLY 179 Ca 0.06 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 44.02 1rvg n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rvg n ALA 180 N 0.11 3.34 -3.34 4.61 0.00 -1.26 -4.51 120.51 119.46 1rvg n ALA 180 Ca 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 53.44 52.75 1rvg n ALA 180 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 1rvg n ALA 180 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1rvg n TYR 181 N -1.26 3.32 0.07 0.00 4.01 -1.26 0.42 117.16 122.45 1rvg n TYR 181 Ca 0.08 -3.63 -0.03 0.00 -0.16 0.00 0.00 57.90 54.15 1rvg n TYR 181 Cb 0.34 -0.92 -0.01 0.00 -0.31 0.00 0.00 39.34 38.43 1rvg n TYR 181 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1rvg h LYS 182 N 5.02 -0.18 -3.52 -0.72 6.56 -0.43 -3.47 116.57 119.84 1rvg h LYS 182 Ca 0.19 0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.74 1rvg h LYS 182 Cb 0.68 0.04 -0.11 0.00 -0.57 0.00 0.00 32.23 32.27 1rvg h LYS 182 CO 1.01 -0.12 -0.09 0.20 -2.06 0.00 0.00 179.45 178.39 1rvg s GLY 183 N -1.31 0.17 -0.40 3.86 0.00 -1.26 -4.77 107.32 103.61 1rvg s GLY 183 Ca -0.03 -0.52 -0.27 0.00 0.00 0.00 0.00 44.72 43.91 1rvg s GLY 183 CO 0.08 -0.48 2.11 0.54 0.00 0.00 0.00 173.10 175.35 1rvg s LYS 184 N -3.92 2.77 2.54 2.90 -0.14 -1.26 -4.59 119.74 118.04 1rvg s LYS 184 Ca 0.13 1.43 0.00 0.00 -1.36 0.00 0.00 55.97 56.17 1rvg s LYS 184 Cb 0.00 -4.40 0.00 0.00 -1.68 0.00 0.00 37.83 31.75 1rvg s LYS 184 CO -0.00 -2.52 0.00 0.41 -0.76 0.00 0.00 175.35 172.48 1rvg n GLY 185 N 5.74 -0.77 3.65 -3.33 0.00 -1.26 -4.72 105.19 104.50 1rvg n GLY 185 Ca 0.28 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1rvg n GLY 185 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rvg s ARG 186 N 0.00 3.96 0.17 1.61 3.52 -1.26 -4.86 118.95 122.09 1rvg s ARG 186 Ca 0.00 2.21 -0.30 0.00 -0.13 0.00 0.00 55.73 57.51 1rvg s ARG 186 Cb 0.00 -4.10 -0.08 0.00 -1.56 0.00 0.00 34.95 29.20 1rvg s ARG 186 CO 0.00 -1.13 1.33 -1.25 -0.81 0.00 0.00 175.30 173.44 1rvg s PRO 187 N 4.59 4.37 0.03 5.12 0.04 -1.26 -4.98 135.00 142.91 1rvg s PRO 187 Ca 0.81 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.60 1rvg s PRO 187 Cb -0.35 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.93 1rvg s PRO 187 CO 0.34 -0.31 1.13 0.12 0.04 0.00 0.00 177.00 178.33 1rvg s PHE 188 N 0.46 3.47 -0.20 0.56 2.19 -1.26 -4.77 117.98 118.43 1rvg s PHE 188 Ca 0.59 1.41 -0.03 0.00 0.33 0.00 0.00 56.93 59.23 1rvg s PHE 188 Cb -0.36 -3.33 -0.01 0.00 -1.31 0.00 0.00 43.02 38.01 1rvg s PHE 188 CO 0.35 -0.91 -0.07 0.42 1.83 0.00 0.00 175.22 176.85 1rvg s ILE 189 N 1.20 3.24 -1.10 3.12 -1.09 -1.26 -4.54 121.20 120.76 1rvg s ILE 189 Ca 0.56 -0.55 -0.20 0.00 -2.23 0.00 0.00 60.65 58.24 1rvg s ILE 189 Cb -0.26 -2.45 -0.06 0.00 -1.58 0.00 0.00 42.46 38.11 1rvg s ILE 189 CO 0.28 0.45 1.98 -0.67 -1.23 0.00 0.00 174.94 175.75 1rvg n ASP 190 N 4.53 3.32 0.26 3.58 -0.08 -0.31 -4.73 116.55 123.11 1rvg n ASP 190 Ca -0.18 -2.76 0.10 0.00 -1.51 0.00 0.00 54.79 50.43 1rvg n ASP 190 Cb 0.51 -1.47 0.68 0.00 2.34 0.00 0.00 41.12 43.18 1rvg n ASP 190 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1rvg h HIS 191 N 7.71 0.00 -0.16 -0.67 3.86 -1.96 -1.71 115.15 122.21 1rvg h HIS 191 Ca 0.43 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.61 1rvg h HIS 191 Cb 0.74 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 1rvg h HIS 191 CO 1.32 0.09 0.02 0.00 0.86 0.00 0.00 177.93 180.22 1rvg h ALA 192 N 1.91 0.22 -0.83 2.45 0.00 -2.00 -1.40 119.26 119.61 1rvg h ALA 192 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1rvg h ALA 192 Cb 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1rvg h ALA 192 CO 0.01 -0.11 0.41 -0.09 0.00 0.00 0.00 179.25 179.47 1rvg h ARG 193 N 0.05 1.18 -0.70 0.00 2.43 -1.81 -2.54 114.38 113.00 1rvg h ARG 193 Ca 0.05 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1rvg h ARG 193 Cb 0.32 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1rvg h ARG 193 CO 0.00 0.90 0.39 1.25 -1.51 0.00 0.00 179.97 181.00 1rvg h LEU 194 N 1.17 0.88 -0.99 3.80 5.85 -1.16 -1.61 115.31 123.25 1rvg h LEU 194 Ca 0.29 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1rvg h LEU 194 Cb 0.09 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1rvg h LEU 194 CO -0.04 0.72 0.32 -0.08 -0.34 0.00 0.00 178.44 179.02 1rvg h GLU 195 N 0.96 1.05 -0.41 1.25 4.81 -0.96 -0.39 114.58 120.90 1rvg h GLU 195 Ca 0.25 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1rvg h GLU 195 Cb 0.04 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1rvg h GLU 195 CO -0.04 0.82 0.07 0.00 -0.73 0.00 0.00 179.01 179.13 1rvg h ARG 196 N 1.03 0.67 0.13 1.92 3.08 -1.04 -1.65 114.38 118.53 1rvg h ARG 196 Ca 0.25 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1rvg h ARG 196 Cb 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1rvg h ARG 196 CO -0.03 0.72 -0.06 0.82 -1.07 0.00 0.00 179.97 180.34 1rvg h ILE 197 N 0.53 0.90 -0.28 2.04 2.04 -0.93 -2.55 117.51 119.25 1rvg h ILE 197 Ca 0.12 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.95 1rvg h ILE 197 Cb 0.37 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1rvg h ILE 197 CO 0.01 0.03 0.23 0.00 0.00 0.00 0.00 178.15 178.42 1rvg h ALA 198 N 0.63 2.10 -0.00 1.87 0.00 -0.98 0.47 119.26 123.34 1rvg h ALA 198 Ca -0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1rvg h ALA 198 Cb 0.18 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1rvg h ALA 198 CO 0.03 -0.37 -0.70 -0.09 0.00 0.00 0.00 179.25 178.11 1rvg h ARG 199 N 0.00 0.01 0.00 0.00 2.43 -0.88 -3.31 114.38 112.62 1rvg h ARG 199 Ca 0.13 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1rvg h ARG 199 Cb 0.59 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1rvg h ARG 199 CO -0.00 0.71 -1.98 1.28 -1.51 0.00 0.00 179.97 178.47 1rvg n LEU 200 N -3.71 0.00 -4.10 3.80 4.77 -0.33 -4.83 117.00 112.61 1rvg n LEU 200 Ca -0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.62 1rvg n LEU 200 Cb 0.69 0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.74 1rvg n LEU 200 CO 0.43 0.09 -0.22 -0.69 -1.33 0.00 0.00 177.39 175.67 1rvg s VAL 201 N -3.20 3.03 -0.52 4.08 1.01 0.15 -4.73 120.40 120.22 1rvg s VAL 201 Ca -0.08 -2.07 0.26 0.00 0.00 0.00 0.00 61.98 60.09 1rvg s VAL 201 Cb 0.11 -3.08 0.29 0.00 0.00 0.00 0.00 36.38 33.71 1rvg s VAL 201 CO 0.81 -0.62 1.76 1.55 0.00 0.00 0.00 175.10 178.60 1rvg h PRO 202 N 7.94 0.00 -7.15 2.72 0.13 -1.86 -3.40 132.00 130.39 1rvg h PRO 202 Ca -0.12 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.50 1rvg h PRO 202 Cb 1.04 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.28 1rvg h PRO 202 CO 0.64 0.00 0.41 0.00 -0.23 0.00 0.00 178.00 178.83 1rvg s ALA 203 N -3.25 2.48 0.51 -0.56 0.00 -1.26 -4.93 121.76 114.75 1rvg s ALA 203 Ca 0.07 0.77 -0.23 0.00 0.00 0.00 0.00 51.96 52.57 1rvg s ALA 203 Cb 0.10 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 1rvg s ALA 203 CO 0.53 -1.23 1.40 -0.35 0.00 0.00 0.00 175.76 176.10 1rvg n PRO 204 N -2.02 1.92 -3.93 0.00 -0.04 -1.26 -4.80 135.00 124.88 1rvg n PRO 204 Ca 0.12 0.70 -0.31 0.00 -0.04 0.00 0.00 63.50 63.97 1rvg n PRO 204 Cb 0.51 -2.61 -0.04 0.00 -0.04 0.00 0.00 33.50 31.32 1rvg n PRO 204 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rvg s LEU 205 N -3.21 4.33 -0.07 1.53 1.43 -1.13 -2.32 118.68 119.23 1rvg s LEU 205 Ca 0.68 0.25 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 1rvg s LEU 205 Cb -0.43 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 1rvg s LEU 205 CO 0.52 0.17 -0.17 -0.69 0.23 0.00 0.00 176.35 176.41 1rvg s VAL 206 N -1.51 2.80 -0.24 -1.59 1.01 0.12 -0.68 120.40 120.31 1rvg s VAL 206 Ca 0.35 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1rvg s VAL 206 Cb -0.13 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.20 1rvg s VAL 206 CO 0.28 0.57 -0.12 -0.22 0.00 0.00 0.00 175.10 175.61 1rvg s LEU 207 N -0.36 3.06 0.52 3.92 0.20 0.32 -1.61 118.68 124.74 1rvg s LEU 207 Ca 0.03 -1.06 -0.00 0.00 0.69 0.00 0.00 54.13 53.79 1rvg s LEU 207 Cb -0.12 -1.57 0.02 0.00 -0.43 0.00 0.00 46.19 44.09 1rvg s LEU 207 CO 0.02 -0.13 0.76 -1.00 -0.29 0.00 0.00 176.35 175.71 1rvg s HIS 208 N 1.21 3.04 -1.54 5.38 3.76 -1.26 -1.70 115.29 124.18 1rvg s HIS 208 Ca -0.03 0.16 -0.10 0.00 -0.15 0.00 0.00 55.06 54.94 1rvg s HIS 208 Cb -0.17 -2.60 0.08 0.00 1.11 0.00 0.00 32.58 30.99 1rvg s HIS 208 CO -0.07 -0.70 0.69 0.41 -0.85 0.00 0.00 174.74 174.23 1rvg n GLY 209 N -2.29 -0.37 1.55 -2.22 0.00 -1.26 -4.44 105.19 96.16 1rvg n GLY 209 Ca 0.05 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.31 1rvg n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rvg n ALA 210 N -4.45 3.17 -1.59 4.61 0.00 -1.19 -4.01 120.51 117.06 1rvg n ALA 210 Ca -0.09 -1.69 -0.34 0.00 0.00 0.00 0.00 53.44 51.32 1rvg n ALA 210 Cb 0.58 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 19.08 1rvg n ALA 210 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1rvg s SER 211 N -0.97 5.18 0.11 0.00 1.04 -1.25 -4.65 113.70 113.15 1rvg s SER 211 Ca 0.50 2.12 0.04 0.00 0.48 0.00 0.00 55.95 59.10 1rvg s SER 211 Cb 0.34 -2.57 -0.23 0.00 0.10 0.00 0.00 66.02 63.66 1rvg s SER 211 CO 0.22 -1.58 1.23 0.00 0.98 0.00 0.00 173.24 174.09 1rvg h ALA 212 N 0.39 0.29 -6.30 5.32 0.00 -1.92 -2.37 119.26 114.67 1rvg h ALA 212 Ca -0.48 -0.91 -0.46 0.00 0.00 0.00 0.00 54.91 53.06 1rvg h ALA 212 Cb 1.26 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.97 1rvg h ALA 212 CO 0.54 1.18 -0.90 0.28 0.00 0.00 0.00 179.25 180.36 1rvg n VAL 213 N -3.39 -4.48 -1.71 0.00 0.31 -1.26 -2.79 118.33 105.00 1rvg n VAL 213 Ca -0.03 -0.69 -0.41 0.00 -0.01 0.00 0.00 64.34 63.21 1rvg n VAL 213 Cb 0.96 -3.57 0.01 0.00 -0.91 0.00 0.00 33.84 30.34 1rvg n VAL 213 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1rvg n PRO 214 N -4.28 1.99 -0.30 5.55 -0.04 -1.26 -4.27 135.00 132.39 1rvg n PRO 214 Ca -0.22 0.71 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1rvg n PRO 214 Cb 0.65 -2.43 0.31 0.00 -0.04 0.00 0.00 33.50 31.99 1rvg n PRO 214 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1rvg h PRO 215 N 2.13 0.83 -0.13 0.54 0.11 -1.93 -1.36 132.00 132.18 1rvg h PRO 215 Ca -0.48 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 1rvg h PRO 215 Cb 1.29 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1rvg h PRO 215 CO 0.60 0.55 -0.37 1.05 -0.21 0.00 0.00 178.00 179.62 1rvg h GLU 216 N 0.85 0.28 -0.24 1.05 9.09 -1.98 0.17 114.58 123.81 1rvg h GLU 216 Ca 0.45 -0.13 -0.14 0.00 0.05 0.00 0.00 59.36 59.59 1rvg h GLU 216 Cb 0.55 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 1rvg h GLU 216 CO -0.22 0.62 -0.42 1.25 0.05 0.00 0.00 179.01 180.30 1rvg h LEU 217 N 0.24 0.77 -0.56 3.06 5.85 -1.65 0.03 115.31 123.06 1rvg h LEU 217 Ca 0.03 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 1rvg h LEU 217 Cb 0.77 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1rvg h LEU 217 CO 0.06 1.16 0.34 0.58 -0.34 0.00 0.00 178.44 180.25 1rvg h VAL 218 N 0.42 1.16 -0.62 1.05 2.07 -1.08 -0.84 116.25 118.40 1rvg h VAL 218 Ca 0.01 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1rvg h VAL 218 Cb 1.02 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1rvg h VAL 218 CO 0.09 0.16 0.37 -0.08 0.02 0.00 0.00 177.57 178.14 1rvg h GLU 219 N 0.75 0.71 -0.03 1.57 4.22 -0.48 -0.59 114.58 120.73 1rvg h GLU 219 Ca 0.20 -0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.51 1rvg h GLU 219 Cb -0.03 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1rvg h GLU 219 CO -0.04 0.47 -0.38 -0.09 -2.18 0.00 0.00 179.01 176.78 1rvg h ARG 220 N 0.73 0.07 0.04 1.92 2.43 -0.50 -0.95 114.38 118.11 1rvg h ARG 220 Ca 0.26 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1rvg h ARG 220 Cb 0.05 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1rvg h ARG 220 CO -0.12 0.45 -0.02 0.35 -1.51 0.00 0.00 179.97 179.12 1rvg h PHE 221 N 0.06 -0.05 -0.78 2.20 3.57 -0.39 -3.03 116.94 118.52 1rvg h PHE 221 Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1rvg h PHE 221 Cb 0.71 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 1rvg h PHE 221 CO 0.00 0.45 0.48 0.00 -2.23 0.00 0.00 178.31 177.01 1rvg h ARG 222 N -0.58 0.87 0.00 1.11 3.08 -1.01 -1.36 114.38 116.49 1rvg h ARG 222 Ca -0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1rvg h ARG 222 Cb 0.52 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1rvg h ARG 222 CO 0.01 0.58 -0.00 0.00 -1.07 0.00 0.00 179.97 179.49 1rvg h ALA 223 N 1.36 1.01 -0.29 0.04 0.00 -1.17 0.01 119.26 120.21 1rvg h ALA 223 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1rvg h ALA 223 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rvg h ALA 223 CO -0.15 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.97 1rvg n SER 224 N -3.10 2.64 0.00 0.00 3.41 -0.61 -4.90 113.62 111.07 1rvg n SER 224 Ca -0.02 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 1rvg n SER 224 Cb 0.10 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1rvg n SER 224 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rvg n GLY 225 N 1.33 0.49 3.72 5.00 0.00 -0.01 -4.71 105.19 111.01 1rvg n GLY 225 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1rvg n GLY 225 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rvg s GLY 226 N -2.05 2.31 -0.12 -0.02 0.00 -0.65 -4.96 107.32 101.83 1rvg s GLY 226 Ca 0.00 0.85 0.02 0.00 0.00 0.00 0.00 44.72 45.59 1rvg s GLY 226 CO 0.00 1.26 -0.16 -0.54 0.00 0.00 0.00 173.10 173.65 1rvg s GLU 227 N -3.95 2.40 -0.04 2.90 2.02 -1.26 -4.11 118.70 116.65 1rvg s GLU 227 Ca 0.74 -0.62 -0.12 0.00 0.02 0.00 0.00 54.97 54.99 1rvg s GLU 227 Cb -0.28 -2.05 0.02 0.00 0.10 0.00 0.00 34.13 31.92 1rvg s GLU 227 CO 0.46 -0.09 0.26 -1.50 0.02 0.00 0.00 175.26 174.40 1rvg s ILE 228 N 1.07 0.05 0.00 -1.63 1.10 -1.26 -5.08 121.20 115.45 1rvg s ILE 228 Ca -0.04 -0.39 0.00 0.00 -0.51 0.00 0.00 60.65 59.72 1rvg s ILE 228 Cb -0.15 -0.51 0.00 0.00 0.15 0.00 0.00 42.46 41.96 1rvg s ILE 228 CO -0.04 -0.21 0.00 0.61 -2.11 0.00 0.00 174.94 173.19 1rvg n GLY 229 N 1.81 0.72 3.57 1.50 0.00 -1.26 -4.89 105.19 106.64 1rvg n GLY 229 Ca -0.19 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 1rvg n GLY 229 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rvg s GLU 230 N 1.19 2.45 0.23 1.61 8.01 -1.26 -4.93 118.70 126.00 1rvg s GLU 230 Ca 0.00 -0.89 -0.20 0.00 0.01 0.00 0.00 54.97 53.89 1rvg s GLU 230 Cb 0.00 -5.18 -0.08 0.00 -4.31 0.00 0.00 34.13 24.56 1rvg s GLU 230 CO 0.00 -3.89 0.74 0.00 0.01 0.00 0.00 175.26 172.12 1rvg s ALA 231 N 11.05 3.40 -0.24 5.21 0.00 -1.26 -4.77 121.76 135.14 1rvg s ALA 231 Ca 0.70 0.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.65 1rvg s ALA 231 Cb -0.03 -2.84 0.07 0.00 0.00 0.00 0.00 23.12 20.32 1rvg s ALA 231 CO 0.10 0.32 0.61 0.00 0.00 0.00 0.00 175.76 176.79 1rvg s ALA 232 N -1.55 -1.58 0.07 0.00 0.00 0.17 -4.96 121.76 113.92 1rvg s ALA 232 Ca 0.44 1.93 0.00 0.00 0.00 0.00 0.00 51.96 54.33 1rvg s ALA 232 Cb -0.16 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1rvg s ALA 232 CO 0.21 -0.32 0.02 0.41 0.00 0.00 0.00 175.76 176.08 1rvg n GLY 233 N 3.42 3.72 3.73 0.00 0.00 -1.12 0.26 105.19 115.19 1rvg n GLY 233 Ca -0.17 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.22 1rvg n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rvg s ILE 234 N -0.92 3.92 0.21 -0.61 1.09 -0.89 -4.44 121.20 119.56 1rvg s ILE 234 Ca 0.01 1.60 -0.30 0.00 -1.10 0.00 0.00 60.65 60.86 1rvg s ILE 234 Cb -0.00 -4.02 -0.09 0.00 -1.06 0.00 0.00 42.46 37.29 1rvg s ILE 234 CO 0.01 0.25 1.35 -2.28 -0.10 0.00 0.00 174.94 174.17 1rvg s HIS 235 N 0.02 3.18 0.32 3.97 2.46 -1.26 -4.39 115.29 119.59 1rvg s HIS 235 Ca 0.51 1.15 0.10 0.00 0.47 0.00 0.00 55.06 57.29 1rvg s HIS 235 Cb -0.29 -3.68 0.94 0.00 -0.13 0.00 0.00 32.58 29.42 1rvg s HIS 235 CO 0.34 -2.15 1.68 -1.35 -2.47 0.00 0.00 174.74 170.79 1rvg h PRO 236 N 5.31 0.38 -0.56 2.88 0.11 -1.95 0.19 132.00 138.36 1rvg h PRO 236 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1rvg h PRO 236 Cb 1.22 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1rvg h PRO 236 CO 0.78 0.25 0.16 1.49 -0.21 0.00 0.00 178.00 180.47 1rvg h GLU 237 N 0.39 0.84 -0.14 1.05 4.57 -2.00 -1.44 114.58 117.85 1rvg h GLU 237 Ca 0.66 -0.16 -0.12 0.00 -1.18 0.00 0.00 59.36 58.57 1rvg h GLU 237 Cb 1.40 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1rvg h GLU 237 CO -0.57 0.73 -0.43 -0.44 -1.18 0.00 0.00 179.01 177.13 1rvg h ASP 238 N 0.81 0.33 -0.26 1.04 3.32 -1.01 -2.39 116.42 118.27 1rvg h ASP 238 Ca 0.18 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 1rvg h ASP 238 Cb 0.25 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1rvg h ASP 238 CO -0.01 0.72 -0.41 0.40 -1.72 0.00 0.00 179.24 178.22 1rvg h ILE 239 N 0.26 1.30 -0.25 0.35 2.04 -1.00 0.52 117.51 120.73 1rvg h ILE 239 Ca 0.02 -1.61 0.01 0.00 1.00 0.00 0.00 64.86 64.28 1rvg h ILE 239 Cb 0.86 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1rvg h ILE 239 CO 0.07 0.51 0.14 0.11 0.00 0.00 0.00 178.15 178.99 1rvg h LYS 240 N 0.47 0.29 -0.33 2.37 1.57 -1.19 -0.51 116.57 119.24 1rvg h LYS 240 Ca 0.02 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1rvg h LYS 240 Cb 1.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1rvg h LYS 240 CO 0.09 0.19 -0.19 -0.22 -0.57 0.00 0.00 179.45 178.76 1rvg h LYS 241 N 0.30 0.71 -0.68 3.15 3.64 -1.42 -2.27 116.57 119.99 1rvg h LYS 241 Ca 0.10 -0.32 0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1rvg h LYS 241 Cb 0.00 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1rvg h LYS 241 CO -0.05 0.93 0.37 0.00 -2.27 0.00 0.00 179.45 178.42 1rvg h ALA 242 N 0.76 0.92 -0.28 5.00 0.00 -0.64 -1.47 119.26 123.55 1rvg h ALA 242 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rvg h ALA 242 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1rvg h ALA 242 CO 0.05 0.02 0.18 0.82 0.00 0.00 0.00 179.25 180.32 1rvg h ILE 243 N 0.66 1.08 -0.03 0.00 2.04 -0.93 -1.94 117.51 118.40 1rvg h ILE 243 Ca 0.31 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1rvg h ILE 243 Cb 0.24 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1rvg h ILE 243 CO -0.21 0.08 0.02 0.77 0.00 0.00 0.00 178.15 178.82 1rvg h SER 244 N 0.36 0.00 0.36 1.72 4.64 -0.78 -1.44 113.55 118.41 1rvg h SER 244 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1rvg h SER 244 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1rvg h SER 244 CO -0.02 0.00 -0.19 0.18 -0.87 0.00 0.00 176.83 175.93 1rvg n LEU 245 N -4.10 0.64 0.00 5.97 4.77 -0.62 -4.92 117.00 118.75 1rvg n LEU 245 Ca -0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1rvg n LEU 245 Cb 0.11 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1rvg n LEU 245 CO 0.30 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1rvg n GLY 246 N 1.33 0.97 3.67 -0.72 0.00 -0.55 -4.73 105.19 105.15 1rvg n GLY 246 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1rvg n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rvg s ILE 247 N -0.17 3.61 -0.01 -0.61 -1.09 -0.94 -2.85 121.20 119.14 1rvg s ILE 247 Ca 0.00 0.81 0.07 0.00 -2.23 0.00 0.00 60.65 59.30 1rvg s ILE 247 Cb 0.00 -3.52 -0.11 0.00 -1.58 0.00 0.00 42.46 37.25 1rvg s ILE 247 CO 0.00 -0.06 0.15 0.00 -1.23 0.00 0.00 174.94 173.80 1rvg n ALA 248 N 6.71 2.23 -4.04 9.38 0.00 0.15 -4.32 120.51 130.61 1rvg n ALA 248 Ca 0.16 -0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 1rvg n ALA 248 Cb 0.43 -0.22 -0.16 0.00 0.00 0.00 0.00 19.45 19.50 1rvg n ALA 248 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1rvg s LYS 249 N -2.47 2.38 -0.22 0.00 2.20 -1.01 0.19 119.74 120.80 1rvg s LYS 249 Ca -0.03 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 54.76 1rvg s LYS 249 Cb 0.04 -2.41 0.01 0.00 -1.51 0.00 0.00 37.83 33.96 1rvg s LYS 249 CO 0.30 -0.33 -0.08 0.42 -0.36 0.00 0.00 175.35 175.30 1rvg s ILE 250 N 1.37 2.95 0.09 5.43 1.09 -0.69 -0.52 121.20 130.92 1rvg s ILE 250 Ca 0.01 -0.78 -0.25 0.00 -1.10 0.00 0.00 60.65 58.54 1rvg s ILE 250 Cb -0.15 -2.39 -0.06 0.00 -1.06 0.00 0.00 42.46 38.80 1rvg s ILE 250 CO -0.10 0.36 0.78 0.20 -0.10 0.00 0.00 174.94 176.08 1rvg s ASN 251 N 1.39 7.29 -0.04 3.58 0.01 -0.69 -0.74 114.94 125.73 1rvg s ASN 251 Ca 0.04 1.53 -0.00 0.00 -0.71 0.00 0.00 52.86 53.72 1rvg s ASN 251 Cb -0.15 -2.49 0.03 0.00 0.41 0.00 0.00 41.25 39.05 1rvg s ASN 251 CO -0.05 0.08 0.00 -0.89 -1.51 0.00 0.00 177.10 174.72 1rvg s THR 252 N -0.42 0.24 0.25 1.60 2.01 -0.44 -3.20 115.64 115.69 1rvg s THR 252 Ca 0.38 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1rvg s THR 252 Cb -0.22 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 71.93 1rvg s THR 252 CO 0.24 0.19 0.00 -0.67 -0.69 0.00 0.00 174.62 173.70 1rvg n ASP 253 N 4.57 -0.15 -0.25 3.53 2.03 -1.26 -2.16 116.55 122.86 1rvg n ASP 253 Ca -0.18 0.43 0.05 0.00 0.52 0.00 0.00 54.79 55.61 1rvg n ASP 253 Cb 0.50 0.36 0.16 0.00 -0.72 0.00 0.00 41.12 41.43 1rvg n ASP 253 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1rvg h THR 254 N 0.00 0.43 -0.93 5.18 2.02 -1.95 -0.81 112.91 116.85 1rvg h THR 254 Ca 0.00 -0.06 0.12 0.00 0.77 0.00 0.00 66.41 67.24 1rvg h THR 254 Cb 0.00 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 66.57 1rvg h THR 254 CO 0.00 0.03 0.56 0.44 0.37 0.00 0.00 175.52 176.92 1rvg h ASP 255 N 0.17 0.80 -0.32 4.18 3.45 -1.95 -1.09 116.42 121.66 1rvg h ASP 255 Ca 0.41 0.05 -0.13 0.00 0.43 0.00 0.00 57.03 57.79 1rvg h ASP 255 Cb 0.71 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.37 1rvg h ASP 255 CO -0.58 0.42 -0.30 -0.07 -1.57 0.00 0.00 179.24 177.14 1rvg h LEU 256 N 0.88 0.83 -0.54 1.55 3.38 -1.51 -2.68 115.31 117.22 1rvg h LEU 256 Ca 0.47 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1rvg h LEU 256 Cb 0.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1rvg h LEU 256 CO -0.28 1.12 0.20 0.03 0.09 0.00 0.00 178.44 179.60 1rvg h ARG 257 N 0.55 0.82 -0.29 1.13 3.08 -0.88 -1.60 114.38 117.18 1rvg h ARG 257 Ca 0.05 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1rvg h ARG 257 Cb 0.88 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1rvg h ARG 257 CO 0.08 0.73 0.14 -0.07 -1.07 0.00 0.00 179.97 179.77 1rvg h LEU 258 N 0.74 0.38 0.11 3.04 3.38 -1.24 -1.39 115.31 120.32 1rvg h LEU 258 Ca 0.18 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1rvg h LEU 258 Cb 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1rvg h LEU 258 CO -0.01 0.40 -0.15 0.00 0.09 0.00 0.00 178.44 178.76 1rvg h ALA 259 N 0.99 -0.27 -0.04 1.53 0.00 -1.35 -0.44 119.26 119.68 1rvg h ALA 259 Ca 0.10 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1rvg h ALA 259 Cb 0.12 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1rvg h ALA 259 CO -0.01 -0.68 -0.19 0.35 0.00 0.00 0.00 179.25 178.72 1rvg h PHE 260 N -0.31 -0.51 -0.78 0.00 3.57 -1.20 -1.83 116.94 115.89 1rvg h PHE 260 Ca 0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1rvg h PHE 260 Cb 0.32 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1rvg h PHE 260 CO -0.15 -0.27 0.33 1.15 -2.23 0.00 0.00 178.31 177.14 1rvg h THR 261 N -0.29 1.25 -0.11 4.41 2.02 -1.16 -1.94 112.91 117.08 1rvg h THR 261 Ca 0.07 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1rvg h THR 261 Cb 0.39 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1rvg h THR 261 CO -0.21 0.32 0.07 0.00 0.37 0.00 0.00 175.52 176.07 1rvg h ALA 262 N 1.24 0.14 -0.86 6.16 0.00 -0.77 -1.00 119.26 124.16 1rvg h ALA 262 Ca 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1rvg h ALA 262 Cb 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1rvg h ALA 262 CO -0.03 -0.35 0.48 -0.07 0.00 0.00 0.00 179.25 179.29 1rvg h LEU 263 N 0.13 1.07 -0.40 0.00 -0.00 -1.16 -1.46 115.31 113.49 1rvg h LEU 263 Ca 0.04 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.80 1rvg h LEU 263 Cb 0.01 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.38 1rvg h LEU 263 CO -0.01 0.86 0.16 0.40 -0.00 0.00 0.00 178.44 179.85 1rvg h ILE 264 N 1.20 1.19 0.24 1.22 2.04 -1.06 -2.04 117.51 120.30 1rvg h ILE 264 Ca 0.31 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1rvg h ILE 264 Cb 0.01 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1rvg h ILE 264 CO -0.05 0.22 -0.17 0.03 0.00 0.00 0.00 178.15 178.17 1rvg h ARG 265 N 0.51 -0.40 -0.62 2.37 3.08 -0.83 -0.98 114.38 117.50 1rvg h ARG 265 Ca 0.13 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.32 1rvg h ARG 265 Cb 0.19 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.25 1rvg h ARG 265 CO -0.01 -0.26 0.20 0.93 -1.07 0.00 0.00 179.97 179.75 1rvg h GLU 266 N -0.41 0.34 0.10 0.04 5.08 -1.23 0.24 114.58 118.74 1rvg h GLU 266 Ca -0.02 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1rvg h GLU 266 Cb 0.36 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1rvg h GLU 266 CO -0.00 0.23 -0.18 0.00 -1.00 0.00 0.00 179.01 178.06 1rvg h ALA 267 N 1.46 -0.30 0.00 3.43 0.00 -0.98 0.77 119.26 123.63 1rvg h ALA 267 Ca 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1rvg h ALA 267 Cb 0.44 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1rvg h ALA 267 CO -0.35 -0.70 -0.21 -0.07 0.00 0.00 0.00 179.25 177.92 1rvg h LEU 268 N -0.35 0.00 0.00 0.00 3.38 -0.73 -0.86 115.31 116.75 1rvg h LEU 268 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rvg h LEU 268 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1rvg h LEU 268 CO -0.10 0.21 -0.00 0.78 0.09 0.00 0.00 178.44 179.41 1rvg h ASN 269 N 0.00 -0.00 0.66 -0.43 2.35 -0.03 -3.33 115.58 114.80 1rvg h ASN 269 Ca -0.00 -0.56 -0.13 0.00 -0.55 0.00 0.00 56.30 55.05 1rvg h ASN 269 Cb 0.72 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 1rvg h ASN 269 CO 0.03 0.56 -0.63 0.50 -1.65 0.00 0.00 177.43 176.23 1rvg h LYS 270 N -0.57 0.00 -2.49 0.81 3.64 -0.77 -3.39 116.57 113.80 1rvg h LYS 270 Ca -0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 1rvg h LYS 270 Cb 0.56 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.98 1rvg h LYS 270 CO 0.00 0.63 -0.76 0.09 -2.27 0.00 0.00 179.45 177.15 1rvg n ASN 271 N -3.75 1.98 0.12 4.20 3.02 -0.34 -4.94 115.26 115.54 1rvg n ASN 271 Ca -0.01 -3.01 0.08 0.00 -0.03 0.00 0.00 54.58 51.61 1rvg n ASN 271 Cb 0.64 -0.67 0.41 0.00 -0.61 0.00 0.00 39.78 39.55 1rvg n ASN 271 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1rvg n PRO 272 N 1.73 0.10 0.00 3.52 -0.04 -1.25 -1.11 135.00 137.95 1rvg n PRO 272 Ca 0.25 0.59 0.12 0.00 -0.04 0.00 0.00 63.50 64.43 1rvg n PRO 272 Cb 0.43 -1.83 0.24 0.00 -0.04 0.00 0.00 33.50 32.29 1rvg n PRO 272 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1rvg n LYS 273 N -2.03 1.65 -2.97 0.54 5.02 -1.26 -4.88 118.16 114.23 1rvg n LYS 273 Ca -0.01 -1.22 -0.41 0.00 -2.02 0.00 0.00 58.31 54.64 1rvg n LYS 273 Cb 0.03 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 1rvg n LYS 273 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1rvg s GLU 274 N -2.19 4.16 -0.00 1.97 2.56 -0.27 -4.88 118.70 120.05 1rvg s GLU 274 Ca 0.28 0.80 0.01 0.00 0.00 0.00 0.00 54.97 56.06 1rvg s GLU 274 Cb 0.20 -3.64 0.01 0.00 2.00 0.00 0.00 34.13 32.69 1rvg s GLU 274 CO 0.41 -0.47 0.74 1.97 -0.56 0.00 0.00 175.26 177.34 1rvg n PHE 275 N 5.88 0.00 -2.87 5.30 1.16 -1.26 -4.97 117.46 120.70 1rvg n PHE 275 Ca 0.03 -0.23 -0.43 0.00 -1.87 0.00 0.00 57.45 54.96 1rvg n PHE 275 Cb 0.48 -0.03 -0.04 0.00 -1.61 0.00 0.00 39.48 38.28 1rvg n PHE 275 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1rvg s ASP 276 N -0.53 6.30 0.48 5.98 -1.08 -1.26 -4.93 116.67 121.63 1rvg s ASP 276 Ca 0.01 -0.52 0.28 0.00 -0.52 0.00 0.00 52.55 51.80 1rvg s ASP 276 Cb 0.01 -2.42 1.34 0.00 -1.46 0.00 0.00 42.92 40.39 1rvg s ASP 276 CO 0.00 -1.23 1.81 1.55 0.52 0.00 0.00 175.17 177.82 1rvg h PRO 277 N 9.33 0.17 0.00 4.34 0.13 -2.01 -0.37 132.00 143.58 1rvg h PRO 277 Ca -0.27 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1rvg h PRO 277 Cb 1.07 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1rvg h PRO 277 CO 1.09 0.11 -0.04 0.00 -0.23 0.00 0.00 178.00 178.93 1rvg h ARG 278 N 0.17 0.00 0.00 0.86 3.08 -1.97 0.10 114.38 116.63 1rvg h ARG 278 Ca 0.54 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.49 1rvg h ARG 278 Cb 1.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.83 1rvg h ARG 278 CO -0.13 0.04 -0.45 0.87 -1.07 0.00 0.00 179.97 179.23 1rvg h LYS 279 N 0.00 0.00 0.00 0.04 1.79 -1.47 -1.68 116.57 115.24 1rvg h LYS 279 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1rvg h LYS 279 Cb 0.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1rvg h LYS 279 CO 0.01 0.45 -1.49 2.48 -1.08 0.00 0.00 179.45 179.82 1rvg n TYR 280 N -3.40 0.00 0.08 -1.35 0.18 -0.98 -4.53 117.16 107.16 1rvg n TYR 280 Ca 0.01 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.61 1rvg n TYR 280 Cb 0.62 -0.27 -0.14 0.00 -0.38 0.00 0.00 39.34 39.16 1rvg n TYR 280 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1rvg h LEU 281 N 0.00 0.44 -0.15 -3.48 4.07 -0.91 -3.29 115.31 112.00 1rvg h LEU 281 Ca -0.05 -0.55 0.02 0.00 0.08 0.00 0.00 57.88 57.39 1rvg h LEU 281 Cb 0.66 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 1rvg h LEU 281 CO 0.00 1.45 0.02 1.23 -1.08 0.00 0.00 178.44 180.06 1rvg h GLY 282 N 1.51 0.16 2.00 0.83 0.00 -1.47 0.42 103.07 106.53 1rvg h GLY 282 Ca -0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1rvg h GLY 282 CO 0.19 -0.00 -0.37 -2.55 0.00 0.00 0.00 176.54 173.80 1rvg h PRO 283 N 0.08 0.00 -0.23 4.80 0.11 -1.79 -1.51 132.00 133.46 1rvg h PRO 283 Ca 0.07 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.03 1rvg h PRO 283 Cb 0.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1rvg h PRO 283 CO -0.09 0.37 -0.47 0.00 -0.21 0.00 0.00 178.00 177.60 1rvg h ALA 284 N 1.63 0.76 -0.31 -0.75 0.00 -1.53 -1.17 119.26 117.90 1rvg h ALA 284 Ca -0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1rvg h ALA 284 Cb 0.78 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1rvg h ALA 284 CO 0.05 0.67 -0.27 -0.09 0.00 0.00 0.00 179.25 179.60 1rvg h ARG 285 N 0.47 0.62 -0.69 0.00 2.43 -0.48 -2.35 114.38 114.39 1rvg h ARG 285 Ca 0.03 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.87 1rvg h ARG 285 Cb 0.99 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1rvg h ARG 285 CO 0.09 0.83 0.16 0.93 -1.51 0.00 0.00 179.97 180.47 1rvg h GLU 286 N 0.54 1.11 -0.61 0.20 4.39 -0.84 -1.83 114.58 117.54 1rvg h GLU 286 Ca 0.07 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.41 1rvg h GLU 286 Cb 0.75 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1rvg h GLU 286 CO 0.06 0.99 0.03 0.00 -1.16 0.00 0.00 179.01 178.93 1rvg h ALA 287 N 1.07 0.90 -0.43 3.43 0.00 -1.03 -1.79 119.26 121.41 1rvg h ALA 287 Ca 0.21 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1rvg h ALA 287 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1rvg h ALA 287 CO 0.00 0.66 0.20 0.28 0.00 0.00 0.00 179.25 180.39 1rvg h VAL 288 N 0.97 1.18 -0.63 0.00 2.07 -1.18 -1.85 116.25 116.80 1rvg h VAL 288 Ca 0.18 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1rvg h VAL 288 Cb 0.51 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1rvg h VAL 288 CO 0.02 0.20 0.37 0.50 0.02 0.00 0.00 177.57 178.68 1rvg h LYS 289 N 0.55 0.68 -0.82 1.57 3.64 -1.09 -1.06 116.57 120.04 1rvg h LYS 289 Ca 0.15 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1rvg h LYS 289 Cb 0.13 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1rvg h LYS 289 CO -0.02 0.45 0.44 0.93 -2.27 0.00 0.00 179.45 178.98 1rvg h GLU 290 N 0.70 1.16 -0.26 1.90 4.39 -0.98 -0.80 114.58 120.68 1rvg h GLU 290 Ca 0.27 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1rvg h GLU 290 Cb 0.11 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1rvg h GLU 290 CO -0.14 0.86 0.12 0.28 -1.16 0.00 0.00 179.01 178.96 1rvg h VAL 291 N 1.15 1.16 -0.51 3.13 2.07 -0.66 -1.63 116.25 120.96 1rvg h VAL 291 Ca 0.29 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1rvg h VAL 291 Cb 0.05 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1rvg h VAL 291 CO -0.04 0.16 0.30 0.58 0.02 0.00 0.00 177.57 178.58 1rvg h VAL 292 N 0.28 1.03 -0.58 2.57 2.07 -0.88 -0.43 116.25 120.31 1rvg h VAL 292 Ca 0.09 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1rvg h VAL 292 Cb 0.14 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1rvg h VAL 292 CO -0.01 0.11 0.35 0.11 0.02 0.00 0.00 177.57 178.14 1rvg h LYS 293 N 0.59 0.80 -0.34 1.57 1.57 -0.96 -0.76 116.57 119.05 1rvg h LYS 293 Ca 0.21 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 1rvg h LYS 293 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1rvg h LYS 293 CO -0.10 0.58 -0.24 0.66 -0.57 0.00 0.00 179.45 179.78 1rvg h SER 294 N 0.79 0.67 -0.59 0.86 4.64 -0.96 -1.90 113.55 117.07 1rvg h SER 294 Ca 0.21 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 1rvg h SER 294 Cb -0.01 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 1rvg h SER 294 CO -0.04 0.89 0.18 0.03 -0.87 0.00 0.00 176.83 177.02 1rvg h ARG 295 N 0.58 0.96 -0.19 4.77 2.47 -0.67 -1.03 114.38 121.27 1rvg h ARG 295 Ca 0.08 -0.20 -0.08 0.00 -1.26 0.00 0.00 59.98 58.52 1rvg h ARG 295 Cb 0.71 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 1rvg h ARG 295 CO 0.05 0.84 -0.25 0.52 0.56 0.00 0.00 179.97 181.69 1rvg h MET 296 N 0.93 0.35 0.10 0.04 2.86 -0.79 -0.32 114.93 118.09 1rvg h MET 296 Ca 0.20 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1rvg h MET 296 Cb 0.29 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1rvg h MET 296 CO -0.01 0.58 -0.05 1.49 1.06 0.00 0.00 176.91 179.98 1rvg h GLU 297 N 0.31 -0.13 -0.51 1.72 4.22 -0.54 -2.06 114.58 117.60 1rvg h GLU 297 Ca 0.05 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.53 1rvg h GLU 297 Cb 0.61 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1rvg h GLU 297 CO 0.04 0.02 0.28 1.25 -2.18 0.00 0.00 179.01 178.43 1rvg h LEU 298 N -0.26 0.43 -0.21 1.64 5.85 -0.88 -2.17 115.31 119.72 1rvg h LEU 298 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1rvg h LEU 298 Cb 0.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1rvg h LEU 298 CO 0.02 0.30 0.00 0.49 -0.34 0.00 0.00 178.44 178.91 1rvg n PHE 299 N -4.84 0.25 -1.08 1.25 3.72 -0.16 -4.81 117.46 111.79 1rvg n PHE 299 Ca 0.04 0.10 -0.03 0.00 -0.05 0.00 0.00 57.45 57.51 1rvg n PHE 299 Cb 0.10 -0.66 -0.01 0.00 -0.94 0.00 0.00 39.48 37.98 1rvg n PHE 299 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rvg n GLY 300 N 0.06 0.60 0.51 1.37 0.00 -0.82 -0.49 105.19 106.42 1rvg n GLY 300 Ca 0.03 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.31 1rvg n GLY 300 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rvg n SER 301 N 1.39 1.58 -4.73 1.61 3.41 -0.87 -4.77 113.62 111.23 1rvg n SER 301 Ca -0.03 -1.57 -0.42 0.00 -0.26 0.00 0.00 58.87 56.59 1rvg n SER 301 Cb 0.10 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1rvg n SER 301 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1rvg s VAL 302 N -1.93 2.43 -0.39 -3.33 1.01 -1.25 -2.11 120.40 114.82 1rvg s VAL 302 Ca 0.36 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1rvg s VAL 302 Cb 0.20 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1rvg s VAL 302 CO 0.31 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1rvg n GLY 303 N 2.96 0.59 0.13 4.51 0.00 -0.16 -4.88 105.19 108.33 1rvg n GLY 303 Ca 0.11 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1rvg n GLY 303 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rvg h ARG 304 N 0.33 0.00 0.00 1.61 -0.00 -0.93 -3.48 114.38 111.90 1rvg h ARG 304 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 1rvg h ARG 304 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.52 1rvg h ARG 304 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 179.97 180.08