#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nrr h SER 4 N 0.00 1.01 -0.72 1.20 0.02 -2.04 -2.28 113.55 110.73 3nrr h SER 4 Ca 0.00 0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.68 3nrr h SER 4 Cb 0.00 -0.20 -0.17 0.00 0.14 0.00 0.00 62.40 62.17 3nrr h SER 4 CO 0.00 0.64 0.35 -1.22 -1.14 0.00 0.00 176.83 175.47 3nrr n TYR 5 N -4.52 2.33 -1.70 3.45 4.01 -1.26 -4.90 117.16 114.56 3nrr n TYR 5 Ca 0.15 -1.27 -0.42 0.00 -0.16 0.00 0.00 57.90 56.20 3nrr n TYR 5 Cb 0.18 -0.70 -0.03 0.00 -0.31 0.00 0.00 39.34 38.48 3nrr n TYR 5 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3nrr s GLU 6 N -2.72 4.13 0.00 -0.72 8.01 -0.86 -2.54 118.70 124.00 3nrr s GLU 6 Ca 0.48 2.61 0.00 0.00 0.01 0.00 0.00 54.97 58.08 3nrr s GLU 6 Cb 0.39 -3.53 0.00 0.00 -4.31 0.00 0.00 34.13 26.69 3nrr s GLU 6 CO 0.11 -0.84 0.00 0.41 0.01 0.00 0.00 175.26 174.95 3nrr n GLY 7 N 4.21 0.76 1.26 -1.39 0.00 -1.26 -4.92 105.19 103.85 3nrr n GLY 7 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 3nrr n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nrr n GLY 9 N -0.33 1.10 3.61 0.00 0.00 -1.26 -4.65 105.19 103.65 3nrr n GLY 9 Ca 0.27 -2.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 3nrr n GLY 9 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3nrr n ASP 10 N -2.81 -2.42 -4.85 1.61 2.03 0.33 -4.96 116.55 105.47 3nrr n ASP 10 Ca 0.11 -0.71 -0.36 0.00 0.52 0.00 0.00 54.79 54.35 3nrr n ASP 10 Cb 0.39 -4.56 -0.06 0.00 -0.72 0.00 0.00 41.12 36.17 3nrr n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3nrr s LEU 11 N -6.68 4.41 -0.18 -2.67 1.43 0.84 -4.82 118.68 111.01 3nrr s LEU 11 Ca 0.13 0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 54.13 3nrr s LEU 11 Cb -0.06 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 3nrr s LEU 11 CO 0.77 0.23 -0.06 -0.89 0.23 0.00 0.00 176.35 176.64 3nrr s THR 12 N -1.26 3.55 -0.06 5.49 2.01 -1.10 -2.95 115.64 121.31 3nrr s THR 12 Ca 0.30 -0.46 -0.17 0.00 0.31 0.00 0.00 61.69 61.67 3nrr s THR 12 Cb -0.15 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 3nrr s THR 12 CO 0.16 0.47 0.45 -0.63 -0.69 0.00 0.00 174.62 174.38 3nrr s ILE 13 N 0.79 5.10 -0.07 1.82 1.01 -0.90 -0.11 121.20 128.83 3nrr s ILE 13 Ca -0.02 0.91 0.01 0.00 0.00 0.00 0.00 60.65 61.55 3nrr s ILE 13 Cb -0.15 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 3nrr s ILE 13 CO 0.02 0.44 -0.08 -0.36 0.00 0.00 0.00 174.94 174.96 3nrr s PHE 14 N -0.16 2.90 0.02 3.97 0.40 -0.93 0.22 117.98 124.41 3nrr s PHE 14 Ca 0.25 -0.02 -0.27 0.00 -0.60 0.00 0.00 56.93 56.28 3nrr s PHE 14 Cb -0.16 -1.71 0.09 0.00 0.51 0.00 0.00 43.02 41.75 3nrr s PHE 14 CO 0.12 0.30 0.75 0.54 0.70 0.00 0.00 175.22 177.62 3nrr s VAL 15 N -0.76 0.00 -0.09 -0.44 0.11 -0.73 -4.54 120.40 113.95 3nrr s VAL 15 Ca 0.12 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.20 3nrr s VAL 15 Cb -0.11 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 3nrr s VAL 15 CO 0.01 0.00 -0.20 0.00 -3.33 0.00 0.00 175.10 171.59 3nrr s ALA 16 N -2.62 1.85 -0.05 1.54 0.00 -1.26 -0.95 121.76 120.27 3nrr s ALA 16 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3nrr s ALA 16 Cb -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.39 3nrr s ALA 16 CO -0.05 0.20 -0.06 0.08 0.00 0.00 0.00 175.76 175.93 3nrr s VAL 17 N 0.50 0.67 0.79 0.00 1.01 0.11 -4.70 120.40 118.79 3nrr s VAL 17 Ca -0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 3nrr s VAL 17 Cb -0.17 -0.67 0.07 0.00 0.00 0.00 0.00 36.38 35.61 3nrr s VAL 17 CO 0.06 0.25 1.12 0.00 0.00 0.00 0.00 175.10 176.53 3nrr s ALA 18 N 0.83 2.42 0.48 5.51 0.00 -0.64 -1.97 121.76 128.38 3nrr s ALA 18 Ca -0.12 -0.38 0.16 0.00 0.00 0.00 0.00 51.96 51.61 3nrr s ALA 18 Cb -0.15 -3.04 1.16 0.00 0.00 0.00 0.00 23.12 21.09 3nrr s ALA 18 CO 0.01 -1.65 2.05 1.25 0.00 0.00 0.00 175.76 177.41 3nrr h LEU 19 N -1.03 0.19 -1.81 0.00 5.85 -0.88 -0.66 115.31 116.95 3nrr h LEU 19 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3nrr h LEU 19 Cb 1.29 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3nrr h LEU 19 CO 0.62 0.12 0.00 -0.46 -0.34 0.00 0.00 178.44 178.38 3nrr n ASN 20 N -4.47 2.68 0.00 1.25 6.94 -1.26 -4.92 115.26 115.48 3nrr n ASN 20 Ca 0.05 -2.14 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 3nrr n ASN 20 Cb 0.29 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 3nrr n ASN 20 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3nrr n LYS 21 N 0.65 -0.11 -2.36 -3.83 5.02 -0.25 -5.00 118.16 112.27 3nrr n LYS 21 Ca 0.15 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 56.05 3nrr n LYS 21 Cb 0.48 -2.98 -0.03 0.00 -0.02 0.00 0.00 35.03 32.47 3nrr n LYS 21 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3nrr s VAL 22 N -2.76 3.53 0.00 -0.18 1.01 -1.26 -0.61 120.40 120.12 3nrr s VAL 22 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3nrr s VAL 22 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3nrr s VAL 22 CO 0.00 0.21 0.00 2.30 0.00 0.00 0.00 175.10 177.61 3nrr n ILE 23 N 2.48 0.00 -3.81 2.22 -5.35 0.82 -1.62 119.36 114.10 3nrr n ILE 23 Ca 0.04 -0.11 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 3nrr n ILE 23 Cb 0.44 0.60 -0.08 0.00 -1.74 0.00 0.00 39.64 38.86 3nrr n ILE 23 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3nrr s GLY 24 N -1.74 -0.05 -0.19 3.28 0.00 -1.05 -4.36 107.32 103.21 3nrr s GLY 24 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 44.72 44.63 3nrr s GLY 24 CO 0.00 -0.21 0.40 -1.58 0.00 0.00 0.00 173.10 171.71 3nrr s HIS 25 N -2.01 -0.73 -1.46 1.90 2.46 -0.03 -1.17 115.29 114.25 3nrr s HIS 25 Ca -0.09 1.43 -0.06 0.00 0.47 0.00 0.00 55.06 56.81 3nrr s HIS 25 Cb -0.03 0.26 0.04 0.00 -0.13 0.00 0.00 32.58 32.72 3nrr s HIS 25 CO -0.00 -0.45 0.64 1.63 -2.47 0.00 0.00 174.74 174.09 3nrr n LYS 26 N 5.26 -4.02 -2.58 2.88 5.02 -1.26 -0.98 118.16 122.49 3nrr n LYS 26 Ca -0.10 0.48 -0.14 0.00 -2.02 0.00 0.00 58.31 56.53 3nrr n LYS 26 Cb 0.50 -4.94 -0.00 0.00 -0.02 0.00 0.00 35.03 30.57 3nrr n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3nrr n ASN 27 N -2.91 -4.05 -4.29 4.39 5.15 -1.26 -4.99 115.26 107.30 3nrr n ASN 27 Ca -0.18 0.10 -0.15 0.00 -0.60 0.00 0.00 54.58 53.75 3nrr n ASN 27 Cb 0.62 -3.42 -0.10 0.00 -0.53 0.00 0.00 39.78 36.35 3nrr n ASN 27 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3nrr s GLN 28 N -5.18 1.33 0.24 1.20 -0.21 -0.15 -4.54 119.66 112.35 3nrr s GLN 28 Ca 0.06 -1.70 -0.30 0.00 0.02 0.00 0.00 55.36 53.44 3nrr s GLN 28 Cb -0.03 -0.19 -0.10 0.00 1.00 0.00 0.00 33.01 33.69 3nrr s GLN 28 CO 0.08 -0.28 1.43 0.42 -2.12 0.00 0.00 175.29 174.82 3nrr s ILE 29 N -3.79 2.72 -0.41 1.08 1.01 -1.26 -0.85 121.20 119.69 3nrr s ILE 29 Ca 0.35 0.60 0.26 0.00 0.00 0.00 0.00 60.65 61.86 3nrr s ILE 29 Cb 0.07 -3.38 0.33 0.00 0.01 0.00 0.00 42.46 39.49 3nrr s ILE 29 CO 0.12 0.09 1.74 -0.65 0.00 0.00 0.00 174.94 176.24 3nrr h PRO 30 N 5.10 0.00 -6.13 2.79 0.11 -1.86 -3.44 132.00 128.57 3nrr h PRO 30 Ca -0.46 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.10 3nrr h PRO 30 Cb 1.22 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 3nrr h PRO 30 CO 0.78 0.00 -0.58 1.67 -0.21 0.00 0.00 178.00 179.66 3nrr s TRP 31 N -3.29 2.71 0.58 0.65 -2.14 -1.26 -4.83 118.94 111.36 3nrr s TRP 31 Ca 0.06 -0.32 -0.20 0.00 2.66 0.00 0.00 56.10 58.31 3nrr s TRP 31 Cb 0.08 -1.46 -0.04 0.00 -3.10 0.00 0.00 33.47 28.95 3nrr s TRP 31 CO 0.59 0.46 1.20 -2.30 -2.66 0.00 0.00 176.95 174.24 3nrr n PRO 32 N -1.04 1.26 -1.64 3.25 -0.02 -1.26 -4.87 135.00 130.67 3nrr n PRO 32 Ca -0.05 0.48 -0.52 0.00 -2.02 0.00 0.00 63.50 61.39 3nrr n PRO 32 Cb 0.60 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3nrr n PRO 32 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3nrr n HIS 33 N -1.47 1.87 -3.69 6.00 -0.00 -1.26 -4.97 115.22 111.71 3nrr n HIS 33 Ca 0.13 0.48 -0.37 0.00 0.46 0.00 0.00 57.72 58.41 3nrr n HIS 33 Cb 0.46 -2.44 -0.10 0.00 -0.12 0.00 0.00 29.99 27.80 3nrr n HIS 33 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3nrr s ILE 34 N 1.73 3.76 0.32 3.57 1.01 -1.26 -4.97 121.20 125.36 3nrr s ILE 34 Ca 0.88 -2.55 0.05 0.00 0.00 0.00 0.00 60.65 59.03 3nrr s ILE 34 Cb -0.91 -3.47 0.30 0.00 0.01 0.00 0.00 42.46 38.39 3nrr s ILE 34 CO 0.51 -0.82 1.87 0.71 0.00 0.00 0.00 174.94 177.20 3nrr h THR 35 N 5.65 0.91 -0.83 2.92 1.35 -2.00 -0.51 112.91 120.41 3nrr h THR 35 Ca -0.06 -0.29 0.11 0.00 -0.55 0.00 0.00 66.41 65.61 3nrr h THR 35 Cb 1.00 -0.02 -0.08 0.00 -1.73 0.00 0.00 68.15 67.32 3nrr h THR 35 CO 0.73 0.16 0.46 -0.74 -0.25 0.00 0.00 175.52 175.87 3nrr h HIS 36 N 0.85 0.83 -0.39 4.73 -0.00 -1.99 -1.09 115.15 118.08 3nrr h HIS 36 Ca 0.45 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.70 3nrr h HIS 36 Cb 0.54 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 3nrr h HIS 36 CO -0.00 0.31 -0.34 0.22 -0.00 0.00 0.00 177.93 178.11 3nrr h ASP 37 N 0.75 0.96 -0.25 3.26 3.58 -1.53 -1.75 116.42 121.44 3nrr h ASP 37 Ca 0.41 -0.42 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 3nrr h ASP 37 Cb 0.43 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3nrr h ASP 37 CO -0.27 1.20 -0.05 -0.26 -2.88 0.00 0.00 179.24 176.98 3nrr h PHE 38 N 0.75 0.65 -0.34 0.28 0.04 -1.11 -1.08 116.94 116.13 3nrr h PHE 38 Ca 0.07 -0.09 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 3nrr h PHE 38 Cb 0.92 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 3nrr h PHE 38 CO 0.06 0.65 -0.13 -0.09 -0.60 0.00 0.00 178.31 178.20 3nrr h ARG 39 N 0.57 0.60 -0.15 1.51 2.43 -0.90 -1.10 114.38 117.34 3nrr h ARG 39 Ca 0.11 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3nrr h ARG 39 Cb 0.44 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3nrr h ARG 39 CO 0.02 0.71 -0.04 0.35 -1.51 0.00 0.00 179.97 179.51 3nrr h PHE 40 N 0.55 0.32 -0.24 2.20 3.04 -0.78 -0.56 116.94 121.47 3nrr h PHE 40 Ca 0.10 -0.07 0.06 0.00 3.98 0.00 0.00 57.97 62.03 3nrr h PHE 40 Cb 0.54 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.92 3nrr h PHE 40 CO 0.02 0.57 -0.13 1.25 -2.02 0.00 0.00 178.31 178.00 3nrr h LEU 41 N -0.02 -0.44 -0.22 0.59 5.85 -1.10 0.02 115.31 119.99 3nrr h LEU 41 Ca 0.04 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3nrr h LEU 41 Cb 0.46 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3nrr h LEU 41 CO 0.01 -0.17 0.13 -0.09 -0.34 0.00 0.00 178.44 177.99 3nrr h ARG 42 N -0.11 0.31 -0.68 1.25 2.43 -1.10 -0.10 114.38 116.38 3nrr h ARG 42 Ca 0.13 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3nrr h ARG 42 Cb 0.31 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3nrr h ARG 42 CO -0.31 0.27 0.30 -0.91 -1.51 0.00 0.00 179.97 177.81 3nrr h ASN 43 N 0.27 0.91 -0.55 -3.80 2.35 -1.00 -2.23 115.58 111.52 3nrr h ASN 43 Ca 0.08 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3nrr h ASN 43 Cb 0.04 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3nrr h ASN 43 CO -0.01 0.80 0.06 1.23 -1.65 0.00 0.00 177.43 177.86 3nrr h GLY 44 N 0.95 1.04 0.85 2.83 0.00 -0.59 -2.97 103.07 105.18 3nrr h GLY 44 Ca 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3nrr h GLY 44 CO -0.03 0.64 -0.67 -1.30 0.00 0.00 0.00 176.54 175.19 3nrr n THR 45 N -4.21 0.09 0.60 4.70 -2.24 -0.09 -4.00 114.28 109.13 3nrr n THR 45 Ca 0.04 -0.09 0.07 0.00 -2.27 0.00 0.00 64.05 61.80 3nrr n THR 45 Cb 0.30 0.26 0.03 0.00 -2.10 0.00 0.00 70.33 68.81 3nrr n THR 45 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3nrr n THR 46 N -1.68 0.00 -2.22 4.28 -2.24 -0.85 -4.66 114.28 106.91 3nrr n THR 46 Ca 0.04 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 3nrr n THR 46 Cb 0.37 1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 3nrr n THR 46 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3nrr s TYR 47 N -1.45 3.28 -0.11 4.78 5.04 -1.12 -4.90 117.35 122.87 3nrr s TYR 47 Ca 0.14 1.05 0.03 0.00 -2.44 0.00 0.00 57.07 55.85 3nrr s TYR 47 Cb 0.11 -3.63 -0.00 0.00 0.35 0.00 0.00 41.96 38.80 3nrr s TYR 47 CO 0.27 -2.12 -0.22 0.42 -1.34 0.00 0.00 175.55 172.55 3nrr s ILE 48 N 0.94 2.22 0.42 3.14 -1.09 -1.26 -4.92 121.20 120.65 3nrr s ILE 48 Ca 0.62 -0.96 -0.26 0.00 -2.23 0.00 0.00 60.65 57.83 3nrr s ILE 48 Cb -0.36 -1.86 -0.10 0.00 -1.58 0.00 0.00 42.46 38.56 3nrr s ILE 48 CO 0.31 0.55 1.31 -2.65 -1.23 0.00 0.00 174.94 173.23 3nrr n PRO 49 N 3.60 2.03 -0.32 2.79 -0.02 -1.26 -4.74 135.00 137.08 3nrr n PRO 49 Ca -0.19 0.72 0.07 0.00 -2.02 0.00 0.00 63.50 62.08 3nrr n PRO 49 Cb 0.53 -2.43 0.27 0.00 -0.02 0.00 0.00 33.50 31.85 3nrr n PRO 49 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3nrr h PRO 50 N 2.19 0.91 -0.50 0.52 0.13 -1.99 -1.42 132.00 131.85 3nrr h PRO 50 Ca -0.48 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.55 3nrr h PRO 50 Cb 1.29 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 3nrr h PRO 50 CO 0.60 0.60 0.13 0.93 -0.23 0.00 0.00 178.00 180.04 3nrr h GLU 51 N 0.94 0.79 -0.30 0.86 3.07 -2.00 -1.96 114.58 115.98 3nrr h GLU 51 Ca 0.44 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 59.10 3nrr h GLU 51 Cb 0.43 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 3nrr h GLU 51 CO -0.21 0.75 0.10 0.28 -1.40 0.00 0.00 179.01 178.54 3nrr h VAL 52 N 0.68 1.19 -0.09 3.13 2.07 -1.72 -3.04 116.25 118.47 3nrr h VAL 52 Ca 0.16 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 3nrr h VAL 52 Cb 0.31 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3nrr h VAL 52 CO -0.00 0.21 -0.27 0.25 0.02 0.00 0.00 177.57 177.77 3nrr h LEU 53 N 0.33 0.15 -0.73 2.57 5.85 -1.15 -1.20 115.31 121.12 3nrr h LEU 53 Ca 0.10 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 3nrr h LEU 53 Cb 0.22 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3nrr h LEU 53 CO -0.00 0.43 -0.43 0.28 -0.34 0.00 0.00 178.44 178.37 3nrr h SER 54 N 0.14 0.48 0.06 1.25 0.02 -1.34 -2.12 113.55 112.04 3nrr h SER 54 Ca 0.02 -0.22 -0.22 0.00 -0.84 0.00 0.00 61.79 60.53 3nrr h SER 54 Cb 0.56 -0.14 0.02 0.00 0.14 0.00 0.00 62.40 62.98 3nrr h SER 54 CO 0.04 0.85 -0.91 0.11 -1.14 0.00 0.00 176.83 175.78 3nrr h LYS 55 N 0.37 0.50 -3.10 3.45 6.56 -1.36 -3.39 116.57 119.60 3nrr h LYS 55 Ca 0.03 -0.63 -0.62 0.00 -1.06 0.00 0.00 60.65 58.37 3nrr h LYS 55 Cb 0.91 0.20 -0.41 0.00 -0.57 0.00 0.00 32.23 32.36 3nrr h LYS 55 CO 0.08 1.25 -0.67 -0.80 -2.06 0.00 0.00 179.45 177.25 3nrr s ASN 56 N -7.08 4.08 0.63 0.86 0.01 -0.49 -5.01 114.94 107.95 3nrr s ASN 56 Ca -0.12 -3.20 0.41 0.00 -0.71 0.00 0.00 52.86 49.24 3nrr s ASN 56 Cb 0.04 -1.39 2.11 0.00 0.41 0.00 0.00 41.25 42.42 3nrr s ASN 56 CO 0.87 -0.19 2.26 1.55 -1.51 0.00 0.00 177.10 180.09 3nrr h PRO 57 N 6.12 0.00 -0.20 -0.60 0.13 -1.59 -1.99 132.00 133.87 3nrr h PRO 57 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3nrr h PRO 57 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3nrr h PRO 57 CO 0.62 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.15 3nrr n ASP 58 N -3.13 2.39 -4.76 1.44 8.00 -1.26 -4.98 116.55 114.25 3nrr n ASP 58 Ca -0.02 -1.81 -0.37 0.00 0.71 0.00 0.00 54.79 53.29 3nrr n ASP 58 Cb 0.14 -0.12 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 3nrr n ASP 58 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3nrr s ILE 59 N -1.76 2.76 0.09 0.53 2.07 -0.75 -5.04 121.20 119.10 3nrr s ILE 59 Ca 0.34 0.57 0.01 0.00 -1.41 0.00 0.00 60.65 60.16 3nrr s ILE 59 Cb 0.20 -3.29 -0.04 0.00 0.13 0.00 0.00 42.46 39.46 3nrr s ILE 59 CO 0.29 -0.01 -0.04 -1.10 -1.91 0.00 0.00 174.94 172.18 3nrr s GLN 60 N -2.78 0.78 0.60 3.50 -0.21 -1.26 -4.95 119.66 115.34 3nrr s GLN 60 Ca 0.66 -1.31 -0.07 0.00 0.02 0.00 0.00 55.36 54.66 3nrr s GLN 60 Cb -0.33 -0.02 0.00 0.00 1.00 0.00 0.00 33.01 33.66 3nrr s GLN 60 CO 0.39 -0.08 0.94 -0.80 -2.12 0.00 0.00 175.29 173.62 3nrr s ASN 61 N -3.01 5.68 -0.11 5.90 0.01 -1.26 -1.15 114.94 121.01 3nrr s ASN 61 Ca 0.12 0.88 -0.02 0.00 -0.71 0.00 0.00 52.86 53.12 3nrr s ASN 61 Cb 0.06 -1.87 -0.03 0.00 0.41 0.00 0.00 41.25 39.82 3nrr s ASN 61 CO -0.06 -1.05 -0.01 -0.69 -1.51 0.00 0.00 177.10 173.78 3nrr s VAL 62 N -3.05 4.22 -0.14 1.60 1.01 0.55 -1.38 120.40 123.20 3nrr s VAL 62 Ca 0.54 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3nrr s VAL 62 Cb -0.11 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.48 3nrr s VAL 62 CO 0.47 0.57 -0.18 0.68 0.00 0.00 0.00 175.10 176.64 3nrr s VAL 63 N -0.53 2.45 -0.13 2.92 -7.23 0.16 -0.03 120.40 118.02 3nrr s VAL 63 Ca 0.09 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 3nrr s VAL 63 Cb -0.12 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 3nrr s VAL 63 CO 0.02 0.53 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.57 3nrr s ILE 64 N 0.75 2.94 0.12 -0.62 1.01 -0.02 -0.64 121.20 124.74 3nrr s ILE 64 Ca -0.07 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 3nrr s ILE 64 Cb -0.16 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 3nrr s ILE 64 CO 0.01 0.53 0.14 0.72 0.00 0.00 0.00 174.94 176.33 3nrr s PHE 65 N 0.38 0.54 0.80 3.97 -0.12 -0.43 -1.13 117.98 121.99 3nrr s PHE 65 Ca -0.11 -0.95 -0.11 0.00 -0.05 0.00 0.00 56.93 55.70 3nrr s PHE 65 Cb -0.16 -0.26 0.07 0.00 -0.63 0.00 0.00 43.02 42.04 3nrr s PHE 65 CO 0.06 -0.57 1.10 0.20 -0.05 0.00 0.00 175.22 175.96 3nrr s GLY 66 N -2.97 1.62 0.29 1.99 0.00 0.36 -1.65 107.32 106.96 3nrr s GLY 66 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.65 3nrr s GLY 66 CO -0.03 0.21 1.86 -0.09 0.00 0.00 0.00 173.10 175.05 3nrr h ARG 67 N -1.08 0.85 -0.30 2.90 2.43 -1.87 -1.99 114.38 115.32 3nrr h ARG 67 Ca -0.47 -0.14 -0.17 0.00 -0.81 0.00 0.00 59.98 58.39 3nrr h ARG 67 Cb 1.27 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3nrr h ARG 67 CO 0.60 0.72 -0.48 0.87 -1.51 0.00 0.00 179.97 180.16 3nrr h LYS 68 N 0.83 0.81 -0.70 0.20 1.57 -1.93 -1.47 116.57 115.88 3nrr h LYS 68 Ca 0.19 -0.47 -0.07 0.00 -1.87 0.00 0.00 60.65 58.43 3nrr h LYS 68 Cb 0.21 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3nrr h LYS 68 CO -0.01 1.10 0.15 1.15 -0.57 0.00 0.00 179.45 181.27 3nrr h THR 69 N 0.64 1.26 -0.64 -0.16 2.02 -1.81 -1.20 112.91 113.02 3nrr h THR 69 Ca 0.03 -0.99 0.03 0.00 0.77 0.00 0.00 66.41 66.25 3nrr h THR 69 Cb 1.06 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 3nrr h THR 69 CO 0.11 0.38 0.38 0.22 0.37 0.00 0.00 175.52 176.98 3nrr h TYR 70 N 1.06 0.72 0.00 3.16 5.03 -1.13 -1.31 116.97 124.50 3nrr h TYR 70 Ca 0.22 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.54 3nrr h TYR 70 Cb 0.39 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.44 3nrr h TYR 70 CO 0.03 0.39 -0.05 0.93 -1.32 0.00 0.00 178.16 178.14 3nrr h GLU 71 N 0.75 0.00 -0.00 1.82 5.08 -0.74 -2.70 114.58 118.78 3nrr h GLU 71 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3nrr h GLU 71 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3nrr h GLU 71 CO -0.12 0.05 -0.09 -1.13 -1.00 0.00 0.00 179.01 176.72 3nrr n SER 72 N -3.33 0.13 -4.77 1.42 3.41 -0.50 -4.82 113.62 105.16 3nrr n SER 72 Ca -0.01 0.18 -0.38 0.00 -0.26 0.00 0.00 58.87 58.39 3nrr n SER 72 Cb 0.21 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 3nrr n SER 72 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3nrr s ILE 73 N -2.89 5.08 0.23 -1.33 1.01 -1.02 -4.92 121.20 117.35 3nrr s ILE 73 Ca 0.17 0.94 -0.31 0.00 0.00 0.00 0.00 60.65 61.44 3nrr s ILE 73 Cb 0.19 -3.79 -0.14 0.00 0.01 0.00 0.00 42.46 38.74 3nrr s ILE 73 CO 0.54 0.44 1.34 -2.65 0.00 0.00 0.00 174.94 174.62 3nrr n PRO 74 N 2.78 1.81 0.21 2.79 -0.02 -1.26 -4.84 135.00 136.47 3nrr n PRO 74 Ca -0.10 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.09 3nrr n PRO 74 Cb 0.52 -2.26 0.55 0.00 -0.02 0.00 0.00 33.50 32.29 3nrr n PRO 74 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3nrr h LYS 75 N 3.95 0.08 0.00 -0.52 -0.00 -1.94 -1.39 116.57 116.74 3nrr h LYS 75 Ca -0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.20 3nrr h LYS 75 Cb 1.29 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.51 3nrr h LYS 75 CO 0.74 0.13 0.00 0.00 -0.00 0.00 0.00 179.45 180.32 3nrr h ALA 76 N 1.89 1.00 -0.07 0.07 0.00 -2.02 -2.86 119.26 117.27 3nrr h ALA 76 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3nrr h ALA 76 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3nrr h ALA 76 CO 0.01 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.69 3nrr n SER 77 N -3.03 2.25 -4.59 0.00 7.64 -0.53 -4.93 113.62 110.44 3nrr n SER 77 Ca 0.01 -1.75 -0.34 0.00 1.01 0.00 0.00 58.87 57.79 3nrr n SER 77 Cb 0.30 -0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.35 3nrr n SER 77 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3nrr s LEU 78 N -1.91 3.30 0.53 -3.43 1.43 -1.08 -3.17 118.68 114.35 3nrr s LEU 78 Ca 0.34 -0.00 -0.20 0.00 -1.03 0.00 0.00 54.13 53.24 3nrr s LEU 78 Cb 0.20 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.61 3nrr s LEU 78 CO 0.31 0.32 1.10 -2.16 0.23 0.00 0.00 176.35 176.15 3nrr s PRO 79 N -0.52 3.49 0.17 1.29 0.04 -1.26 -5.02 135.00 133.19 3nrr s PRO 79 Ca 0.08 1.53 -0.34 0.00 0.04 0.00 0.00 61.00 62.31 3nrr s PRO 79 Cb -0.12 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.25 3nrr s PRO 79 CO 0.02 -0.72 1.59 1.28 0.04 0.00 0.00 177.00 179.21 3nrr n LEU 80 N -1.21 3.20 -4.77 -3.56 4.77 -1.19 -4.87 117.00 109.37 3nrr n LEU 80 Ca 0.11 1.08 -0.38 0.00 -0.03 0.00 0.00 56.01 56.79 3nrr n LEU 80 Cb 0.51 -1.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.14 3nrr n LEU 80 CO 0.41 -0.24 0.85 -1.59 -1.33 0.00 0.00 177.39 175.50 3nrr s LYS 81 N 0.91 4.09 -0.59 3.23 0.00 -1.26 -3.43 119.74 122.69 3nrr s LYS 81 Ca 0.78 1.87 0.00 0.00 0.00 0.00 0.00 55.97 58.62 3nrr s LYS 81 Cb -0.66 -2.72 0.00 0.00 0.00 0.00 0.00 37.83 34.45 3nrr s LYS 81 CO 0.37 -0.30 0.00 0.09 0.00 0.00 0.00 175.35 175.52 3nrr n ASN 82 N 0.16 -4.29 -3.94 0.03 3.02 -1.26 -4.98 115.26 103.99 3nrr n ASN 82 Ca 0.04 0.14 -0.10 0.00 -0.03 0.00 0.00 54.58 54.63 3nrr n ASN 82 Cb 0.46 -2.28 -0.11 0.00 -0.61 0.00 0.00 39.78 37.24 3nrr n ASN 82 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3nrr s ARG 83 N -2.00 0.36 -0.24 3.52 0.52 -1.22 -4.41 118.95 115.47 3nrr s ARG 83 Ca 0.00 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.39 3nrr s ARG 83 Cb 0.00 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.61 3nrr s ARG 83 CO 0.00 -0.07 1.14 0.42 0.02 0.00 0.00 175.30 176.81 3nrr s ILE 84 N -1.40 4.46 -0.18 1.52 1.01 -0.48 -4.79 121.20 121.34 3nrr s ILE 84 Ca -0.15 1.73 -0.14 0.00 0.00 0.00 0.00 60.65 62.09 3nrr s ILE 84 Cb -0.09 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3nrr s ILE 84 CO -0.00 -0.28 0.32 0.20 0.00 0.00 0.00 174.94 175.17 3nrr s ASN 85 N 1.73 6.40 -0.11 3.58 0.02 -1.26 -0.67 114.94 124.63 3nrr s ASN 85 Ca 0.49 0.47 0.03 0.00 -1.02 0.00 0.00 52.86 52.82 3nrr s ASN 85 Cb -0.16 -2.19 0.01 0.00 0.02 0.00 0.00 41.25 38.92 3nrr s ASN 85 CO 0.13 0.03 -0.21 -0.69 0.02 0.00 0.00 177.10 176.38 3nrr s VAL 86 N 0.86 1.85 -0.07 1.60 1.01 0.18 -1.17 120.40 124.67 3nrr s VAL 86 Ca 0.16 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3nrr s VAL 86 Cb -0.14 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3nrr s VAL 86 CO 0.06 0.51 -0.19 -0.63 0.00 0.00 0.00 175.10 174.85 3nrr s ILE 87 N 0.58 2.58 -0.18 2.22 1.01 0.13 -1.31 121.20 126.23 3nrr s ILE 87 Ca -0.14 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 3nrr s ILE 87 Cb -0.17 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 3nrr s ILE 87 CO 0.04 0.57 0.12 -0.76 0.00 0.00 0.00 174.94 174.91 3nrr s LEU 88 N -0.21 4.16 -0.17 2.97 1.43 -0.66 -1.73 118.68 124.47 3nrr s LEU 88 Ca -0.01 0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 53.06 3nrr s LEU 88 Cb -0.13 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.12 3nrr s LEU 88 CO 0.03 0.23 0.82 -0.55 0.23 0.00 0.00 176.35 177.11 3nrr s SER 89 N 0.06 -0.59 0.00 2.29 0.15 -0.12 -2.83 113.70 112.66 3nrr s SER 89 Ca 0.09 0.87 0.16 0.00 0.70 0.00 0.00 55.95 57.76 3nrr s SER 89 Cb -0.11 0.79 0.20 0.00 -1.71 0.00 0.00 66.02 65.19 3nrr s SER 89 CO -0.00 -0.38 1.08 0.54 1.20 0.00 0.00 173.24 175.68 3nrr n ARG 90 N 1.57 1.57 -0.03 5.44 1.74 -1.26 -3.75 116.66 121.93 3nrr n ARG 90 Ca -0.15 -1.64 -0.03 0.00 -0.77 0.00 0.00 57.85 55.27 3nrr n ARG 90 Cb 0.56 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.64 3nrr n ARG 90 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3nrr n THR 91 N 0.90 0.38 -4.42 0.55 -2.24 -1.26 -5.01 114.28 103.17 3nrr n THR 91 Ca 0.11 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.32 3nrr n THR 91 Cb 0.42 -0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 67.69 3nrr n THR 91 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3nrr s VAL 92 N -2.13 4.06 -0.13 2.28 1.01 -1.26 -5.02 120.40 119.20 3nrr s VAL 92 Ca -0.03 -0.33 0.16 0.00 0.00 0.00 0.00 61.98 61.78 3nrr s VAL 92 Cb 0.02 -2.73 -0.24 0.00 0.00 0.00 0.00 36.38 33.43 3nrr s VAL 92 CO 0.22 0.56 0.33 2.29 0.00 0.00 0.00 175.10 178.50 3nrr n LYS 93 N 2.73 0.66 -3.78 2.72 0.00 -1.26 -4.72 118.16 114.52 3nrr n LYS 93 Ca -0.18 0.11 -0.13 0.00 -0.00 0.00 0.00 58.31 58.12 3nrr n LYS 93 Cb 0.53 -1.64 -0.13 0.00 -0.00 0.00 0.00 35.03 33.79 3nrr n LYS 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3nrr s GLU 94 N -2.57 0.17 -0.03 -1.58 1.03 -1.26 -4.70 118.70 109.76 3nrr s GLU 94 Ca -0.08 0.33 0.00 0.00 0.03 0.00 0.00 54.97 55.26 3nrr s GLU 94 Cb 0.07 -0.02 0.03 0.00 -0.80 0.00 0.00 34.13 33.41 3nrr s GLU 94 CO 0.83 -0.09 0.00 0.08 -1.33 0.00 0.00 175.26 174.75 3nrr s VAL 95 N 0.62 0.19 -0.01 1.83 1.01 -1.26 -5.11 120.40 117.66 3nrr s VAL 95 Ca -0.04 0.09 -0.36 0.00 0.00 0.00 0.00 61.98 61.67 3nrr s VAL 95 Cb -0.06 -0.29 -0.14 0.00 0.00 0.00 0.00 36.38 35.89 3nrr s VAL 95 CO -0.03 0.15 1.66 -2.65 0.00 0.00 0.00 175.10 174.24 3nrr n PRO 96 N 4.22 1.80 -0.96 2.72 -0.02 -1.26 -1.91 135.00 139.59 3nrr n PRO 96 Ca -0.25 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3nrr n PRO 96 Cb 0.50 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3nrr n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nrr n GLY 97 N 3.71 0.51 3.37 -1.23 0.00 -1.26 -4.64 105.19 105.65 3nrr n GLY 97 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3nrr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nrr s LEU 99 N -2.94 4.37 -0.07 0.00 1.43 -0.32 -4.57 118.68 116.58 3nrr s LEU 99 Ca 0.20 1.22 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 3nrr s LEU 99 Cb -0.05 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 42.88 3nrr s LEU 99 CO 0.08 0.11 -0.17 -0.69 0.23 0.00 0.00 176.35 175.92 3nrr s VAL 100 N -1.42 1.46 0.16 -1.59 1.01 -1.26 -0.69 120.40 118.07 3nrr s VAL 100 Ca 0.38 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.74 3nrr s VAL 100 Cb -0.16 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3nrr s VAL 100 CO 0.20 0.43 -0.13 -0.31 0.00 0.00 0.00 175.10 175.28 3nrr s TYR 101 N 0.49 1.49 -0.13 5.22 2.02 -0.70 -4.98 117.35 120.76 3nrr s TYR 101 Ca -0.15 -0.62 0.16 0.00 -0.37 0.00 0.00 57.07 56.09 3nrr s TYR 101 Cb -0.16 -0.73 -0.07 0.00 -0.40 0.00 0.00 41.96 40.60 3nrr s TYR 101 CO 0.05 0.21 1.05 0.93 -1.57 0.00 0.00 175.55 176.22 3nrr h GLU 102 N 2.92 0.00 -3.72 -0.62 5.08 -1.88 -0.30 114.58 116.06 3nrr h GLU 102 Ca -0.38 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 3nrr h GLU 102 Cb 1.20 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.34 3nrr h GLU 102 CO 0.59 0.38 -0.20 0.16 -1.00 0.00 0.00 179.01 178.94 3nrr s ASP 103 N -6.03 -0.06 0.10 1.42 1.47 -1.26 -4.55 116.67 107.77 3nrr s ASP 103 Ca -0.00 -0.83 -0.18 0.00 1.18 0.00 0.00 52.55 52.71 3nrr s ASP 103 Cb 0.08 0.51 -0.06 0.00 -0.34 0.00 0.00 42.92 43.12 3nrr s ASP 103 CO 0.79 -1.00 1.59 0.25 0.68 0.00 0.00 175.17 177.48 3nrr h LEU 104 N 2.38 0.45 -0.13 2.11 5.85 -2.00 -2.57 115.31 121.41 3nrr h LEU 104 Ca -0.29 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 3nrr h LEU 104 Cb 1.24 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3nrr h LEU 104 CO 0.42 0.57 0.07 0.77 -0.34 0.00 0.00 178.44 179.93 3nrr h SER 105 N 0.31 0.16 -0.44 1.25 4.64 -1.98 -0.08 113.55 117.41 3nrr h SER 105 Ca 0.09 -0.09 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3nrr h SER 105 Cb 0.30 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 62.26 3nrr h SER 105 CO 0.00 0.20 -0.21 0.74 -0.87 0.00 0.00 176.83 176.70 3nrr h THR 106 N 0.11 0.39 0.21 2.95 2.02 -1.91 -2.09 112.91 114.58 3nrr h THR 106 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3nrr h THR 106 Cb 0.08 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3nrr h THR 106 CO -0.01 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.78 3nrr h ALA 107 N 1.18 -0.29 -0.24 6.16 0.00 -0.96 0.27 119.26 125.39 3nrr h ALA 107 Ca 0.21 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3nrr h ALA 107 Cb 0.45 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3nrr h ALA 107 CO -0.52 -0.64 0.09 0.82 0.00 0.00 0.00 179.25 179.01 3nrr h ILE 108 N -0.34 0.96 -0.37 0.00 1.08 -1.02 0.94 117.51 118.76 3nrr h ILE 108 Ca -0.03 -0.07 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 3nrr h ILE 108 Cb 0.26 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 3nrr h ILE 108 CO 0.05 0.04 0.20 0.03 -0.69 0.00 0.00 178.15 177.78 3nrr h ARG 109 N 0.21 0.40 -0.42 2.37 3.08 -1.27 -0.89 114.38 117.86 3nrr h ARG 109 Ca 0.10 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3nrr h ARG 109 Cb 0.06 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3nrr h ARG 109 CO -0.09 0.26 0.24 0.22 -1.07 0.00 0.00 179.97 179.52 3nrr h ASP 110 N 0.41 0.53 -0.23 7.04 3.58 -0.60 -2.22 116.42 124.92 3nrr h ASP 110 Ca 0.15 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3nrr h ASP 110 Cb 0.04 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 3nrr h ASP 110 CO -0.09 0.46 0.15 -0.07 -2.88 0.00 0.00 179.24 176.81 3nrr h LEU 111 N 0.55 0.26 -0.85 2.28 3.38 -0.56 -0.63 115.31 119.74 3nrr h LEU 111 Ca 0.15 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3nrr h LEU 111 Cb 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3nrr h LEU 111 CO -0.02 0.19 -0.17 0.03 0.09 0.00 0.00 178.44 178.55 3nrr h ARG 112 N 0.31 0.00 0.08 1.13 3.08 -1.09 -1.94 114.38 115.95 3nrr h ARG 112 Ca 0.09 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.79 3nrr h ARG 112 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3nrr h ARG 112 CO -0.02 0.17 -1.95 0.00 -1.07 0.00 0.00 179.97 177.10 3nrr n ALA 113 N -2.17 1.09 0.00 0.04 0.00 -0.84 -4.79 120.51 113.84 3nrr n ALA 113 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3nrr n ALA 113 Cb 0.46 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.21 3nrr n ALA 113 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3nrr n ASN 114 N -3.33 1.55 -3.95 0.00 3.02 -0.25 -4.94 115.26 107.35 3nrr n ASN 114 Ca -0.28 -0.23 -0.30 0.00 -0.03 0.00 0.00 54.58 53.74 3nrr n ASN 114 Cb 1.05 0.77 -0.14 0.00 -0.61 0.00 0.00 39.78 40.85 3nrr n ASN 114 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3nrr s VAL 115 N -1.08 2.62 0.17 2.41 1.01 -0.73 -5.03 120.40 119.77 3nrr s VAL 115 Ca 0.00 -3.33 -0.33 0.00 0.00 0.00 0.00 61.98 58.31 3nrr s VAL 115 Cb 0.00 -2.82 -0.15 0.00 0.00 0.00 0.00 36.38 33.42 3nrr s VAL 115 CO 0.00 -0.80 1.35 -2.65 0.00 0.00 0.00 175.10 172.99 3nrr n PRO 116 N 3.10 1.59 -3.83 2.72 -0.02 -1.26 -4.68 135.00 132.61 3nrr n PRO 116 Ca 0.05 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 62.02 3nrr n PRO 116 Cb 0.32 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3nrr n PRO 116 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3nrr s HIS 117 N 0.20 -0.04 0.00 6.00 -3.43 -1.26 -4.78 115.29 111.98 3nrr s HIS 117 Ca 0.75 -0.52 0.00 0.00 -0.80 0.00 0.00 55.06 54.49 3nrr s HIS 117 Cb -0.78 0.77 0.00 0.00 -1.43 0.00 0.00 32.58 31.14 3nrr s HIS 117 CO 0.48 -1.38 0.00 -1.71 -2.00 0.00 0.00 174.74 170.13 3nrr n ASN 118 N -0.93 0.00 -4.09 7.38 5.15 -0.30 -4.92 115.26 117.55 3nrr n ASN 118 Ca -0.06 0.13 -0.15 0.00 -0.60 0.00 0.00 54.58 53.90 3nrr n ASN 118 Cb 0.59 -0.41 -0.12 0.00 -0.53 0.00 0.00 39.78 39.32 3nrr n ASN 118 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3nrr s LYS 119 N -0.82 0.61 -0.22 1.20 2.20 -1.26 -5.01 119.74 116.45 3nrr s LYS 119 Ca 0.00 -0.79 -0.08 0.00 -0.36 0.00 0.00 55.97 54.74 3nrr s LYS 119 Cb 0.00 -0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 35.83 3nrr s LYS 119 CO 0.00 0.09 0.09 0.42 -0.36 0.00 0.00 175.35 175.59 3nrr s ILE 120 N -1.30 4.80 0.01 5.43 1.01 -1.26 -0.33 121.20 129.55 3nrr s ILE 120 Ca -0.07 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.59 3nrr s ILE 120 Cb -0.10 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 3nrr s ILE 120 CO 0.01 0.39 -0.09 -0.36 0.00 0.00 0.00 174.94 174.90 3nrr s PHE 121 N 0.90 2.83 -0.28 3.97 0.08 0.96 -2.71 117.98 123.74 3nrr s PHE 121 Ca 0.05 -0.08 -0.07 0.00 0.12 0.00 0.00 56.93 56.95 3nrr s PHE 121 Cb -0.14 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 40.72 3nrr s PHE 121 CO 0.03 0.34 0.07 0.42 -0.10 0.00 0.00 175.22 175.99 3nrr s ILE 122 N -0.97 4.06 -0.24 0.64 -1.09 0.84 -0.84 121.20 123.60 3nrr s ILE 122 Ca 0.16 -0.52 0.11 0.00 -2.23 0.00 0.00 60.65 58.18 3nrr s ILE 122 Cb -0.11 -3.02 0.45 0.00 -1.58 0.00 0.00 42.46 38.20 3nrr s ILE 122 CO 0.07 0.17 1.33 0.18 -1.23 0.00 0.00 174.94 175.46 3nrr n LEU 123 N 4.89 3.38 0.00 2.97 4.77 -0.28 -2.18 117.00 130.54 3nrr n LEU 123 Ca -0.15 -3.71 0.00 0.00 -0.03 0.00 0.00 56.01 52.12 3nrr n LEU 123 Cb 0.49 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3nrr n LEU 123 CO 0.31 1.22 0.00 0.61 -1.33 0.00 0.00 177.39 178.20 3nrr n GLY 124 N -1.11 -2.83 0.00 -0.72 0.00 -1.26 -4.83 105.19 94.43 3nrr n GLY 124 Ca 0.25 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3nrr n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nrr n GLY 125 N -0.68 1.49 0.24 -0.02 0.00 -1.26 -0.49 105.19 104.47 3nrr n GLY 125 Ca 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.37 3nrr n GLY 125 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3nrr h SER 126 N 0.00 0.26 0.08 1.61 0.02 -1.97 0.30 113.55 113.85 3nrr h SER 126 Ca 0.00 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3nrr h SER 126 Cb 0.00 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 3nrr h SER 126 CO 0.00 0.45 -0.26 -0.26 -1.14 0.00 0.00 176.83 175.63 3nrr h PHE 127 N 0.26 -0.69 -0.29 3.45 -1.00 -1.95 0.20 116.94 116.91 3nrr h PHE 127 Ca 0.05 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 3nrr h PHE 127 Cb 0.45 0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 3nrr h PHE 127 CO 0.01 -0.36 -0.02 1.25 -1.61 0.00 0.00 178.31 177.58 3nrr h LEU 128 N -0.45 0.52 -0.76 1.54 5.85 -1.61 -1.41 115.31 118.99 3nrr h LEU 128 Ca 0.04 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3nrr h LEU 128 Cb 0.49 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3nrr h LEU 128 CO -0.17 0.72 0.49 1.88 -0.34 0.00 0.00 178.44 181.02 3nrr h TYR 129 N 0.31 0.92 0.11 1.25 0.05 -0.37 -0.58 116.97 118.66 3nrr h TYR 129 Ca 0.08 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3nrr h TYR 129 Cb 0.47 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3nrr h TYR 129 CO 0.04 0.54 -0.06 -0.22 -1.05 0.00 0.00 178.16 177.42 3nrr h LYS 130 N 0.96 -0.15 -1.00 4.88 1.63 -0.46 -0.44 116.57 121.99 3nrr h LYS 130 Ca 0.30 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.18 3nrr h LYS 130 Cb -0.02 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.57 3nrr h LYS 130 CO -0.10 0.07 0.65 1.49 -3.45 0.00 0.00 179.45 178.11 3nrr h GLU 131 N -0.35 1.10 -0.16 1.90 4.81 -1.10 0.51 114.58 121.30 3nrr h GLU 131 Ca -0.02 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 58.99 3nrr h GLU 131 Cb 0.28 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 29.42 3nrr h GLU 131 CO 0.03 0.73 -0.52 0.28 -0.73 0.00 0.00 179.01 178.80 3nrr h VAL 132 N 1.14 1.33 -0.05 0.32 2.07 -0.74 -2.80 116.25 117.51 3nrr h VAL 132 Ca 0.44 -1.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 3nrr h VAL 132 Cb 0.23 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3nrr h VAL 132 CO -0.19 0.55 -0.19 -0.07 0.02 0.00 0.00 177.57 177.69 3nrr h LEU 133 N 0.30 0.26 -2.15 2.57 3.38 -0.79 -1.95 115.31 116.92 3nrr h LEU 133 Ca -0.02 -0.63 0.06 0.00 0.09 0.00 0.00 57.88 57.38 3nrr h LEU 133 Cb 1.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3nrr h LEU 133 CO 0.11 0.84 0.17 0.44 0.09 0.00 0.00 178.44 180.09 3nrr h ASP 134 N -0.31 0.00 -0.45 -0.43 5.19 -0.01 -2.74 116.42 117.67 3nrr h ASP 134 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3nrr h ASP 134 Cb 0.82 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.33 3nrr h ASP 134 CO 0.04 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.75 3nrr n ASN 135 N -4.10 3.51 -0.85 6.45 3.02 -1.06 -5.00 115.26 117.24 3nrr n ASN 135 Ca 0.02 -2.21 -0.09 0.00 -0.03 0.00 0.00 54.58 52.26 3nrr n ASN 135 Cb 0.30 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 3nrr n ASN 135 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nrr n GLY 136 N 0.65 0.59 0.02 7.41 0.00 -1.03 -4.92 105.19 107.92 3nrr n GLY 136 Ca 0.17 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.74 3nrr n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3nrr n LEU 137 N -1.15 0.56 -4.44 0.99 4.77 -0.75 -4.77 117.00 112.22 3nrr n LEU 137 Ca -0.10 0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.60 3nrr n LEU 137 Cb 0.42 -0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 3nrr n LEU 137 CO 0.13 0.07 -0.40 0.00 -1.33 0.00 0.00 177.39 175.86 3nrr n ASP 139 N 3.51 0.80 -3.71 0.00 8.00 -1.15 -4.90 116.55 119.10 3nrr n ASP 139 Ca -0.18 -0.90 -0.13 0.00 0.71 0.00 0.00 54.79 54.29 3nrr n ASP 139 Cb 0.53 0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 42.33 3nrr n ASP 139 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3nrr s LYS 140 N -1.78 0.54 -0.10 -1.24 2.20 -1.26 -3.31 119.74 114.79 3nrr s LYS 140 Ca 0.06 0.68 0.01 0.00 -0.36 0.00 0.00 55.97 56.36 3nrr s LYS 140 Cb 0.08 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 3nrr s LYS 140 CO 0.37 -0.08 -0.11 0.42 -0.36 0.00 0.00 175.35 175.60 3nrr s ILE 141 N 0.40 1.19 -0.36 5.43 1.01 -0.22 -2.12 121.20 126.52 3nrr s ILE 141 Ca -0.01 -0.43 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 3nrr s ILE 141 Cb -0.04 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 3nrr s ILE 141 CO -0.01 0.39 0.33 -0.31 0.00 0.00 0.00 174.94 175.33 3nrr s TYR 142 N 1.29 3.21 -0.08 3.97 1.51 0.13 -0.85 117.35 126.54 3nrr s TYR 142 Ca -0.02 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 3nrr s TYR 142 Cb -0.14 -2.63 0.02 0.00 -0.11 0.00 0.00 41.96 39.10 3nrr s TYR 142 CO -0.04 -0.46 -0.11 -1.17 -1.11 0.00 0.00 175.55 172.65 3nrr s LEU 143 N 1.91 1.56 -0.27 -1.29 0.20 -0.32 -1.78 118.68 118.68 3nrr s LEU 143 Ca 0.09 -0.31 -0.15 0.00 0.69 0.00 0.00 54.13 54.46 3nrr s LEU 143 Cb -0.17 -0.84 -0.04 0.00 -0.43 0.00 0.00 46.19 44.71 3nrr s LEU 143 CO 0.11 0.00 0.38 -0.89 -0.29 0.00 0.00 176.35 175.67 3nrr s THR 144 N 0.88 5.17 -0.26 3.68 2.01 -0.12 -0.67 115.64 126.33 3nrr s THR 144 Ca -0.10 0.59 -0.16 0.00 0.31 0.00 0.00 61.69 62.33 3nrr s THR 144 Cb -0.15 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 3nrr s THR 144 CO 0.01 0.15 0.44 -0.13 -0.69 0.00 0.00 174.62 174.40 3nrr s ARG 145 N 2.08 4.04 -0.18 4.92 0.52 0.24 -0.71 118.95 129.85 3nrr s ARG 145 Ca 0.15 0.17 -0.09 0.00 -0.52 0.00 0.00 55.73 55.45 3nrr s ARG 145 Cb -0.16 -3.65 -0.05 0.00 0.52 0.00 0.00 34.95 31.61 3nrr s ARG 145 CO 0.10 -0.31 0.11 -0.51 0.02 0.00 0.00 175.30 174.71 3nrr s LEU 146 N 2.17 4.12 -0.13 2.53 1.02 -0.83 -1.76 118.68 125.80 3nrr s LEU 146 Ca 0.18 0.22 0.02 0.00 0.02 0.00 0.00 54.13 54.57 3nrr s LEU 146 Cb -0.16 -2.05 0.23 0.00 0.02 0.00 0.00 46.19 44.24 3nrr s LEU 146 CO 0.10 0.21 1.19 0.59 0.02 0.00 0.00 176.35 178.45 3nrr n ASN 147 N 3.31 3.05 -3.97 2.29 4.13 -0.55 -2.40 115.26 121.11 3nrr n ASN 147 Ca -0.17 -2.46 -0.11 0.00 1.68 0.00 0.00 54.58 53.52 3nrr n ASN 147 Cb 0.52 -0.60 -0.12 0.00 -1.54 0.00 0.00 39.78 38.05 3nrr n ASN 147 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3nrr s LYS 148 N -1.22 0.30 0.26 3.52 2.20 -1.26 -4.64 119.74 118.90 3nrr s LYS 148 Ca 0.18 -0.48 -0.25 0.00 -0.36 0.00 0.00 55.97 55.06 3nrr s LYS 148 Cb 0.15 -0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.35 3nrr s LYS 148 CO 0.04 -0.01 0.87 -1.21 -0.36 0.00 0.00 175.35 174.68 3nrr s GLU 149 N -1.09 4.56 0.04 4.03 2.02 -1.26 -1.45 118.70 125.56 3nrr s GLU 149 Ca -0.10 1.23 0.05 0.00 0.02 0.00 0.00 54.97 56.16 3nrr s GLU 149 Cb -0.07 -2.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.16 3nrr s GLU 149 CO -0.00 0.40 -0.15 0.71 0.02 0.00 0.00 175.26 176.23 3nrr s TYR 150 N -1.44 1.29 0.35 1.61 1.51 -1.26 -4.96 117.35 114.45 3nrr s TYR 150 Ca 0.45 -0.36 -0.29 0.00 -1.01 0.00 0.00 57.07 55.86 3nrr s TYR 150 Cb -0.20 -0.76 -0.11 0.00 -0.11 0.00 0.00 41.96 40.77 3nrr s TYR 150 CO 0.25 0.04 1.52 -2.30 -1.11 0.00 0.00 175.55 173.95 3nrr n PRO 151 N 1.84 2.68 -3.69 -1.71 -0.02 -1.26 -4.82 135.00 128.02 3nrr n PRO 151 Ca -0.18 0.94 -0.04 0.00 -2.02 0.00 0.00 63.50 62.20 3nrr n PRO 151 Cb 0.54 -2.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 3nrr n PRO 151 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3nrr s GLY 152 N 0.06 -0.29 0.00 -1.23 0.00 -1.26 -4.72 107.32 99.88 3nrr s GLY 152 Ca 0.57 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.65 3nrr s GLY 152 CO 0.59 0.08 0.15 2.09 0.00 0.00 0.00 173.10 176.01 3nrr n ASP 153 N -0.42 0.30 -4.04 1.64 5.68 -0.31 -4.97 116.55 114.41 3nrr n ASP 153 Ca -0.07 -0.83 -0.25 0.00 -0.50 0.00 0.00 54.79 53.14 3nrr n ASP 153 Cb 0.61 0.08 -0.17 0.00 -1.14 0.00 0.00 41.12 40.50 3nrr n ASP 153 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3nrr s THR 154 N -0.08 1.24 0.01 2.12 2.01 -0.97 -5.01 115.64 114.96 3nrr s THR 154 Ca 0.00 -0.54 0.06 0.00 0.31 0.00 0.00 61.69 61.52 3nrr s THR 154 Cb 0.00 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 3nrr s THR 154 CO 0.00 0.38 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.82 3nrr s TYR 155 N 0.63 1.59 0.04 4.92 1.51 -1.26 -0.13 117.35 124.65 3nrr s TYR 155 Ca -0.15 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 3nrr s TYR 155 Cb -0.16 -0.99 -0.05 0.00 -0.11 0.00 0.00 41.96 40.65 3nrr s TYR 155 CO 0.04 0.01 1.10 0.12 -1.11 0.00 0.00 175.55 175.72 3nrr s PHE 156 N -0.56 3.54 0.87 2.71 5.36 0.22 -4.72 117.98 125.39 3nrr s PHE 156 Ca 0.06 1.48 -0.10 0.00 -0.96 0.00 0.00 56.93 57.41 3nrr s PHE 156 Cb -0.07 -3.29 0.12 0.00 -0.34 0.00 0.00 43.02 39.43 3nrr s PHE 156 CO 0.00 -0.73 1.13 -2.14 -1.46 0.00 0.00 175.22 172.02 3nrr s PRO 157 N 1.00 1.45 0.31 10.12 0.02 -1.26 -4.94 135.00 141.69 3nrr s PRO 157 Ca 0.56 1.41 -0.29 0.00 0.02 0.00 0.00 61.00 62.69 3nrr s PRO 157 Cb -0.26 -1.79 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 3nrr s PRO 157 CO 0.29 -2.29 1.48 -0.51 -0.33 0.00 0.00 177.00 175.63 3nrr s ASP 158 N -2.93 6.51 -0.06 2.53 1.01 -1.26 -4.97 116.67 117.51 3nrr s ASP 158 Ca 0.65 2.85 -0.28 0.00 0.71 0.00 0.00 52.55 56.47 3nrr s ASP 158 Cb -0.21 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.06 3nrr s ASP 158 CO 0.57 -0.78 0.92 -0.63 0.21 0.00 0.00 175.17 175.46 3nrr s ILE 159 N -0.45 4.88 0.71 0.77 1.01 -1.26 -5.03 121.20 121.83 3nrr s ILE 159 Ca 0.57 1.89 -0.15 0.00 0.00 0.00 0.00 60.65 62.96 3nrr s ILE 159 Cb -0.44 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 37.81 3nrr s ILE 159 CO 0.51 0.12 1.19 -2.84 0.00 0.00 0.00 174.94 173.92 3nrr s PRO 160 N 1.37 2.32 0.00 2.79 0.01 -1.26 -4.89 135.00 135.34 3nrr s PRO 160 Ca 0.47 1.69 0.16 0.00 0.01 0.00 0.00 61.00 63.33 3nrr s PRO 160 Cb -0.19 -1.86 0.96 0.00 0.01 0.00 0.00 34.50 33.42 3nrr s PRO 160 CO 0.22 -1.68 1.37 -0.40 0.01 0.00 0.00 177.00 176.52 3nrr n ASP 161 N -2.58 0.00 0.14 2.53 5.75 -1.26 -1.53 116.55 119.60 3nrr n ASP 161 Ca 0.13 -0.55 0.13 0.00 -0.01 0.00 0.00 54.79 54.49 3nrr n ASP 161 Cb 0.50 0.00 0.48 0.00 -1.03 0.00 0.00 41.12 41.07 3nrr n ASP 161 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3nrr h THR 162 N 0.00 0.00 -2.85 2.12 1.35 -1.96 -3.45 112.91 108.12 3nrr h THR 162 Ca 0.00 -0.34 -0.56 0.00 -0.55 0.00 0.00 66.41 64.96 3nrr h THR 162 Cb 0.00 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 67.56 3nrr h THR 162 CO 0.00 0.00 -0.38 -0.36 -0.25 0.00 0.00 175.52 174.53 3nrr s PHE 163 N -3.29 3.49 0.05 4.73 0.40 -0.58 -1.39 117.98 121.39 3nrr s PHE 163 Ca 0.06 0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.71 3nrr s PHE 163 Cb 0.10 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.77 3nrr s PHE 163 CO 0.46 0.45 -0.06 -1.83 0.70 0.00 0.00 175.22 174.94 3nrr s GLU 164 N -3.07 0.56 -0.05 0.44 -1.05 0.26 -4.89 118.70 110.90 3nrr s GLU 164 Ca 0.38 -0.93 -0.30 0.00 -0.15 0.00 0.00 54.97 53.97 3nrr s GLU 164 Cb -0.11 -0.10 -0.03 0.00 -0.44 0.00 0.00 34.13 33.44 3nrr s GLU 164 CO 0.28 -0.01 1.13 0.42 0.95 0.00 0.00 175.26 178.03 3nrr s ILE 165 N -2.30 4.41 -0.16 1.83 1.01 -1.26 -0.71 121.20 124.02 3nrr s ILE 165 Ca -0.04 1.72 0.03 0.00 0.00 0.00 0.00 60.65 62.36 3nrr s ILE 165 Cb -0.04 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 3nrr s ILE 165 CO -0.03 0.03 0.20 0.35 0.00 0.00 0.00 174.94 175.49 3nrr n THR 166 N 4.43 0.00 -3.73 2.92 -2.24 0.19 -3.97 114.28 111.88 3nrr n THR 166 Ca 0.10 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 3nrr n THR 166 Cb 0.47 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 3nrr n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nrr s ALA 167 N -1.04 -0.90 -0.03 6.98 0.00 -1.20 -0.53 121.76 125.04 3nrr s ALA 167 Ca 0.01 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 3nrr s ALA 167 Cb 0.02 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.50 3nrr s ALA 167 CO 0.09 -0.20 0.05 0.42 0.00 0.00 0.00 175.76 176.12 3nrr s ILE 168 N 0.56 -0.08 0.94 0.00 1.01 -0.57 -1.34 121.20 121.73 3nrr s ILE 168 Ca -0.03 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.76 3nrr s ILE 168 Cb -0.05 -0.11 0.15 0.00 0.01 0.00 0.00 42.46 42.47 3nrr s ILE 168 CO -0.03 0.11 1.15 -0.94 0.00 0.00 0.00 174.94 175.23 3nrr s SER 169 N 1.38 3.27 0.91 3.58 1.04 0.09 -1.50 113.70 122.47 3nrr s SER 169 Ca -0.05 0.90 -0.10 0.00 0.48 0.00 0.00 55.95 57.17 3nrr s SER 169 Cb -0.13 -1.42 0.14 0.00 0.10 0.00 0.00 66.02 64.72 3nrr s SER 169 CO -0.03 -2.70 1.14 -2.84 0.98 0.00 0.00 173.24 169.79 3nrr s PRO 170 N -5.32 1.07 0.18 4.02 0.02 -1.21 -2.84 135.00 130.93 3nrr s PRO 170 Ca 0.65 1.51 -0.29 0.00 0.02 0.00 0.00 61.00 62.89 3nrr s PRO 170 Cb -0.14 -1.74 -0.08 0.00 0.02 0.00 0.00 34.50 32.57 3nrr s PRO 170 CO 0.54 -2.58 0.93 0.99 -0.33 0.00 0.00 177.00 176.54 3nrr s THR 171 N -2.67 4.26 0.36 0.99 2.01 -1.26 -4.58 115.64 114.75 3nrr s THR 171 Ca 0.66 2.03 0.06 0.00 0.31 0.00 0.00 61.69 64.76 3nrr s THR 171 Cb -0.22 -4.30 -0.07 0.00 0.01 0.00 0.00 72.50 67.91 3nrr s THR 171 CO 0.58 0.44 0.00 -0.36 -0.69 0.00 0.00 174.62 174.59 3nrr s PHE 172 N -0.74 2.25 -0.06 4.92 0.08 0.85 -4.51 117.98 120.76 3nrr s PHE 172 Ca 0.42 -0.74 -0.22 0.00 0.12 0.00 0.00 56.93 56.51 3nrr s PHE 172 Cb -0.25 -1.49 0.05 0.00 -0.57 0.00 0.00 43.02 40.77 3nrr s PHE 172 CO 0.30 0.30 0.51 -1.54 -0.10 0.00 0.00 175.22 174.70 3nrr s SER 173 N -3.59 -0.46 0.31 1.36 1.04 -1.14 -0.97 113.70 110.25 3nrr s SER 173 Ca 0.34 0.54 0.04 0.00 0.48 0.00 0.00 55.95 57.35 3nrr s SER 173 Cb 0.08 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.79 3nrr s SER 173 CO 0.16 -0.47 0.31 0.35 0.98 0.00 0.00 173.24 174.58 3nrr n THR 174 N 1.40 0.00 1.65 2.02 -2.24 -0.34 -5.00 114.28 111.77 3nrr n THR 174 Ca -0.19 -1.16 0.14 0.00 -2.27 0.00 0.00 64.05 60.57 3nrr n THR 174 Cb 0.56 -0.43 0.80 0.00 -2.10 0.00 0.00 70.33 69.16 3nrr n THR 174 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3nrr n ASP 175 N -2.19 0.00 0.00 3.42 5.68 -1.26 -3.78 116.55 118.42 3nrr n ASP 175 Ca 0.03 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.58 3nrr n ASP 175 Cb 0.34 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 3nrr n ASP 175 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3nrr n PHE 176 N -1.05 0.00 -3.53 2.11 1.16 -1.26 -5.09 117.46 109.80 3nrr n PHE 176 Ca 0.19 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.64 3nrr n PHE 176 Cb 0.11 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.94 3nrr n PHE 176 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3nrr s VAL 177 N -0.81 0.00 0.02 1.97 0.11 -1.25 -5.04 120.40 115.40 3nrr s VAL 177 Ca 0.00 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 3nrr s VAL 177 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 3nrr s VAL 177 CO 0.00 0.00 0.29 -0.44 -3.33 0.00 0.00 175.10 171.62 3nrr s SER 178 N -1.42 6.52 0.15 3.54 0.01 -1.26 -1.20 113.70 120.04 3nrr s SER 178 Ca -0.05 0.60 -0.23 0.00 1.31 0.00 0.00 55.95 57.58 3nrr s SER 178 Cb -0.00 -2.10 0.07 0.00 0.21 0.00 0.00 66.02 64.19 3nrr s SER 178 CO 0.03 0.25 0.61 -0.72 0.41 0.00 0.00 173.24 173.82 3nrr s TYR 179 N -1.30 -0.53 0.35 2.43 1.13 -0.15 -1.48 117.35 117.80 3nrr s TYR 179 Ca 0.28 0.32 -0.02 0.00 -1.41 0.00 0.00 57.07 56.25 3nrr s TYR 179 Cb -0.13 0.56 0.01 0.00 -1.10 0.00 0.00 41.96 41.29 3nrr s TYR 179 CO 0.16 -0.84 0.49 -0.40 -2.51 0.00 0.00 175.55 172.45 3nrr n ASP 180 N -0.37 -1.36 -4.34 -0.18 5.68 -0.72 -0.10 116.55 115.15 3nrr n ASP 180 Ca -0.17 -2.93 -0.33 0.00 -0.50 0.00 0.00 54.79 50.87 3nrr n ASP 180 Cb 0.65 2.55 -0.15 0.00 -1.14 0.00 0.00 41.12 43.03 3nrr n ASP 180 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3nrr s PHE 181 N -2.90 2.72 0.23 2.11 0.08 -1.26 -0.60 117.98 118.36 3nrr s PHE 181 Ca 0.30 -0.70 0.06 0.00 0.12 0.00 0.00 56.93 56.71 3nrr s PHE 181 Cb -0.01 -1.77 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 3nrr s PHE 181 CO 0.21 -0.22 -0.07 0.14 -0.10 0.00 0.00 175.22 175.18 3nrr s VAL 182 N 0.21 1.46 -0.10 -0.44 -7.23 0.16 -0.73 120.40 113.73 3nrr s VAL 182 Ca -0.10 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 57.98 3nrr s VAL 182 Cb -0.16 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3nrr s VAL 182 CO 0.06 -0.43 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.57 3nrr s ILE 183 N -3.14 1.91 0.01 -0.62 1.01 -0.45 -1.18 121.20 118.75 3nrr s ILE 183 Ca 0.26 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3nrr s ILE 183 Cb 0.03 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3nrr s ILE 183 CO 0.08 0.53 0.06 -0.31 0.00 0.00 0.00 174.94 175.30 3nrr s TYR 184 N 0.47 3.20 0.08 3.97 1.51 -0.03 -0.64 117.35 125.91 3nrr s TYR 184 Ca -0.16 0.14 -0.05 0.00 -1.01 0.00 0.00 57.07 55.99 3nrr s TYR 184 Cb -0.17 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 3nrr s TYR 184 CO 0.06 0.52 0.09 -1.21 -1.11 0.00 0.00 175.55 173.91 3nrr s GLU 185 N -1.81 0.76 0.24 -0.62 2.02 0.11 -1.06 118.70 118.34 3nrr s GLU 185 Ca 0.23 -1.10 -0.30 0.00 0.02 0.00 0.00 54.97 53.82 3nrr s GLU 185 Cb -0.12 0.28 -0.09 0.00 0.10 0.00 0.00 34.13 34.30 3nrr s GLU 185 CO 0.14 -0.21 1.31 1.03 0.02 0.00 0.00 175.26 177.56 3nrr s ARG 186 N -3.90 4.38 0.09 1.61 0.52 -1.21 -0.57 118.95 119.87 3nrr s ARG 186 Ca 0.07 2.10 -0.25 0.00 -0.52 0.00 0.00 55.73 57.14 3nrr s ARG 186 Cb 0.06 -3.16 -0.16 0.00 0.52 0.00 0.00 34.95 32.22 3nrr s ARG 186 CO -0.09 -0.23 1.72 0.87 0.02 0.00 0.00 175.30 177.58 3nrr h LYS 187 N 4.84 -0.14 -5.56 3.54 1.57 -1.57 -3.47 116.57 115.78 3nrr h LYS 187 Ca -0.46 0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.10 3nrr h LYS 187 Cb 1.22 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 3nrr h LYS 187 CO 0.74 -0.09 0.69 0.16 -0.57 0.00 0.00 179.45 180.38 3nrr s ASP 188 N -5.06 4.43 0.14 0.86 1.47 -1.26 -5.13 116.67 112.12 3nrr s ASP 188 Ca -0.14 0.16 -0.12 0.00 1.18 0.00 0.00 52.55 53.63 3nrr s ASP 188 Cb 0.06 -2.54 0.01 0.00 -0.34 0.00 0.00 42.92 40.11 3nrr s ASP 188 CO 0.65 -3.25 0.33 -1.81 0.68 0.00 0.00 175.17 171.78 3nrr s ASP 195 N 10.27 -0.06 0.43 2.11 1.01 -1.26 -5.28 116.67 123.89 3nrr s ASP 195 Ca 0.86 -0.60 -0.24 0.00 0.71 0.00 0.00 52.55 53.29 3nrr s ASP 195 Cb -0.12 0.44 -0.08 0.00 1.01 0.00 0.00 42.92 44.17 3nrr s ASP 195 CO 0.12 -0.87 1.15 -2.16 0.21 0.00 0.00 175.17 173.62 3nrr s PRO 196 N -3.88 3.91 0.62 8.23 0.04 -1.26 -4.98 135.00 137.68 3nrr s PRO 196 Ca 0.09 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.69 3nrr s PRO 196 Cb 0.03 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 3nrr s PRO 196 CO -0.07 -0.42 0.98 -2.30 0.04 0.00 0.00 177.00 175.24 3nrr n PRO 197 N -0.26 0.86 -0.28 0.56 -0.02 -1.26 -4.90 135.00 129.70 3nrr n PRO 197 Ca 0.06 0.34 0.03 0.00 -2.02 0.00 0.00 63.50 61.91 3nrr n PRO 197 Cb 0.48 -2.20 0.24 0.00 -0.02 0.00 0.00 33.50 32.00 3nrr n PRO 197 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3nrr h PHE 198 N 0.40 1.01 -0.63 6.00 3.57 -2.01 -1.61 116.94 123.67 3nrr h PHE 198 Ca -0.49 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.15 3nrr h PHE 198 Cb 1.36 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 3nrr h PHE 198 CO 0.37 0.56 0.43 -0.44 -2.23 0.00 0.00 178.31 176.99 3nrr h ASP 199 N 1.02 0.35 -0.58 0.41 3.32 -1.98 -0.14 116.42 118.81 3nrr h ASP 199 Ca 0.36 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3nrr h ASP 199 Cb 0.12 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3nrr h ASP 199 CO -0.12 0.20 0.37 1.56 -1.72 0.00 0.00 179.24 179.53 3nrr h GLN 200 N 0.38 0.77 -0.20 3.56 4.20 -1.64 -0.26 115.11 121.93 3nrr h GLN 200 Ca 0.30 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.83 3nrr h GLN 200 Cb 0.65 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 3nrr h GLN 200 CO -0.08 0.54 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.20 3nrr h LEU 201 N 0.78 0.66 -0.34 1.46 3.38 -1.16 -3.20 115.31 116.89 3nrr h LEU 201 Ca 0.21 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3nrr h LEU 201 Cb -0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3nrr h LEU 201 CO -0.04 1.07 0.23 0.25 0.09 0.00 0.00 178.44 180.03 3nrr h LEU 202 N 0.28 0.40 -0.13 1.67 5.85 -1.01 -3.09 115.31 119.29 3nrr h LEU 202 Ca 0.01 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3nrr h LEU 202 Cb 0.94 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3nrr h LEU 202 CO 0.08 0.30 0.00 0.23 -0.34 0.00 0.00 178.44 178.71 3nrr n MET 203 N -4.84 1.08 0.16 1.25 2.81 -0.12 -2.00 117.12 115.46 3nrr n MET 203 Ca -0.01 -0.12 0.04 0.00 -1.81 0.00 0.00 57.70 55.80 3nrr n MET 203 Cb 0.03 -1.17 0.18 0.00 -0.71 0.00 0.00 33.22 31.54 3nrr n MET 203 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3nrr h THR 204 N 0.23 0.91 0.00 2.03 1.35 -1.53 -3.48 112.91 112.42 3nrr h THR 204 Ca 0.00 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.93 3nrr h THR 204 Cb 0.05 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3nrr h THR 204 CO 0.00 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 3nrr n GLY 205 N 0.73 0.47 2.22 5.82 0.00 -0.85 -5.01 105.19 108.58 3nrr n GLY 205 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 3nrr n GLY 205 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3nrr n THR 206 N -2.58 0.00 -1.68 2.61 -2.24 -1.26 -5.07 114.28 104.06 3nrr n THR 206 Ca 0.00 -1.51 -0.46 0.00 -2.27 0.00 0.00 64.05 59.81 3nrr n THR 206 Cb 0.09 0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 3nrr n THR 206 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3nrr n ASP 207 N -1.40 3.27 0.21 3.42 -0.08 -1.26 -4.84 116.55 115.86 3nrr n ASP 207 Ca -0.10 1.06 0.14 0.00 -1.51 0.00 0.00 54.79 54.39 3nrr n ASP 207 Cb 0.40 -1.44 0.50 0.00 2.34 0.00 0.00 41.12 42.92 3nrr n ASP 207 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 3nrr h ILE 208 N 3.91 0.00 -3.53 5.18 3.07 -1.98 -3.36 117.51 120.80 3nrr h ILE 208 Ca -0.45 -0.55 -0.67 0.00 1.55 0.00 0.00 64.86 64.75 3nrr h ILE 208 Cb 1.25 1.48 -0.39 0.00 -0.27 0.00 0.00 36.82 38.90 3nrr h ILE 208 CO 0.90 0.00 -0.60 -0.94 -1.05 0.00 0.00 178.15 176.46 3nrr s SER 209 N -5.32 4.79 -0.15 2.16 1.04 -1.26 -5.01 113.70 109.95 3nrr s SER 209 Ca 0.04 -2.51 -0.13 0.00 0.48 0.00 0.00 55.95 53.83 3nrr s SER 209 Cb 0.09 -1.71 -0.05 0.00 0.10 0.00 0.00 66.02 64.45 3nrr s SER 209 CO 0.54 -0.36 0.26 0.68 0.98 0.00 0.00 173.24 175.34 3nrr s VAL 210 N 0.42 5.32 0.11 5.02 -7.23 -1.26 -5.04 120.40 117.73 3nrr s VAL 210 Ca 0.13 0.48 -0.33 0.00 -1.81 0.00 0.00 61.98 60.46 3nrr s VAL 210 Cb -0.22 -3.60 -0.12 0.00 0.56 0.00 0.00 36.38 33.00 3nrr s VAL 210 CO -0.04 0.42 1.73 -2.65 -0.31 0.00 0.00 175.10 174.25 3nrr n PRO 211 N 3.36 2.41 -1.71 4.82 -0.02 -1.26 -4.92 135.00 137.67 3nrr n PRO 211 Ca -0.13 0.87 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 3nrr n PRO 211 Cb 0.52 -2.70 0.05 0.00 -0.02 0.00 0.00 33.50 31.35 3nrr n PRO 211 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3nrr s LYS 212 N 2.08 2.77 0.33 -0.52 0.00 -1.26 -4.93 119.74 118.21 3nrr s LYS 212 Ca 0.82 1.35 -0.29 0.00 0.00 0.00 0.00 55.97 57.85 3nrr s LYS 212 Cb -0.61 -1.95 -0.11 0.00 0.00 0.00 0.00 37.83 35.16 3nrr s LYS 212 CO 0.40 -1.27 1.51 -0.35 0.00 0.00 0.00 175.35 175.64 3nrr n PRO 213 N -2.54 2.61 0.09 1.78 -0.04 -1.26 -4.91 135.00 130.73 3nrr n PRO 213 Ca 0.10 0.92 0.04 0.00 -0.04 0.00 0.00 63.50 64.52 3nrr n PRO 213 Cb 0.52 -2.66 0.44 0.00 -0.04 0.00 0.00 33.50 31.76 3nrr n PRO 213 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3nrr h LYS 214 N 3.71 0.33 -5.54 0.54 3.64 -1.92 -3.42 116.57 113.92 3nrr h LYS 214 Ca -0.49 -0.04 -0.64 0.00 -1.27 0.00 0.00 60.65 58.21 3nrr h LYS 214 Cb 1.24 -0.06 -0.32 0.00 -0.41 0.00 0.00 32.23 32.68 3nrr h LYS 214 CO 0.70 0.32 -0.87 0.71 -2.27 0.00 0.00 179.45 178.05 3nrr s TYR 215 N -5.08 2.22 -0.05 1.91 1.51 -1.26 -5.05 117.35 111.55 3nrr s TYR 215 Ca -0.07 -0.75 -0.01 0.00 -1.01 0.00 0.00 57.07 55.24 3nrr s TYR 215 Cb 0.16 -1.48 0.03 0.00 -0.11 0.00 0.00 41.96 40.56 3nrr s TYR 215 CO 0.72 -0.27 0.01 0.08 -1.11 0.00 0.00 175.55 174.98 3nrr s VAL 216 N 0.10 0.25 0.24 0.71 1.01 -1.26 -4.69 120.40 116.74 3nrr s VAL 216 Ca -0.09 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 3nrr s VAL 216 Cb -0.15 -0.39 -0.10 0.00 0.00 0.00 0.00 36.38 35.74 3nrr s VAL 216 CO 0.05 0.21 1.45 0.00 0.00 0.00 0.00 175.10 176.81 3nrr s ALA 217 N 1.61 3.64 -0.93 5.51 0.00 -1.26 -4.20 121.76 126.13 3nrr s ALA 217 Ca -0.01 1.33 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 3nrr s ALA 217 Cb -0.13 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.45 3nrr s ALA 217 CO -0.03 -0.74 0.57 0.00 0.00 0.00 0.00 175.76 175.55 3nrr h PRO 219 N -1.23 0.00 0.00 0.00 0.13 -1.88 -0.97 132.00 128.05 3nrr h PRO 219 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 3nrr h PRO 219 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3nrr h PRO 219 CO 0.40 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 3nrr n GLY 220 N -0.53 -1.57 3.56 1.56 0.00 -1.26 -4.73 105.19 102.21 3nrr n GLY 220 Ca -0.01 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3nrr n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nrr s VAL 221 N -3.11 4.62 -0.11 1.61 1.01 -0.37 -4.26 120.40 119.80 3nrr s VAL 221 Ca 0.10 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 3nrr s VAL 221 Cb 0.13 -4.32 -0.27 0.00 0.00 0.00 0.00 36.38 31.92 3nrr s VAL 221 CO 0.54 -0.66 0.46 0.08 0.00 0.00 0.00 175.10 175.51 3nrr h ARG 222 N 8.85 0.26 -4.57 2.72 -0.00 -1.10 -3.44 114.38 117.10 3nrr h ARG 222 Ca -0.24 -0.44 -0.71 0.00 -0.00 0.00 0.00 59.98 58.59 3nrr h ARG 222 Cb 1.08 0.16 -0.20 0.00 -0.00 0.00 0.00 29.97 31.01 3nrr h ARG 222 CO 0.96 1.21 -0.43 0.42 -0.00 0.00 0.00 179.97 182.13 3nrr s ILE 223 N -2.52 5.26 -0.63 0.08 1.01 -0.80 -5.00 121.20 118.60 3nrr s ILE 223 Ca -0.21 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 59.95 3nrr s ILE 223 Cb 0.06 -3.89 0.29 0.00 0.01 0.00 0.00 42.46 38.93 3nrr s ILE 223 CO 0.76 -0.25 0.87 0.54 0.00 0.00 0.00 174.94 176.87 3nrr n ARG 224 N 5.17 2.95 0.00 2.79 1.74 -1.26 -1.51 116.66 126.54 3nrr n ARG 224 Ca -0.11 -4.77 0.11 0.00 -0.77 0.00 0.00 57.85 52.31 3nrr n ARG 224 Cb 0.48 -2.26 0.01 0.00 -1.02 0.00 0.00 32.46 29.67 3nrr n ARG 224 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3nrr n ASN 225 N 0.33 0.80 -4.70 0.55 3.02 -0.56 -4.88 115.26 109.82 3nrr n ASN 225 Ca 0.31 -0.70 -0.44 0.00 -0.03 0.00 0.00 54.58 53.72 3nrr n ASN 225 Cb 0.40 0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 40.28 3nrr n ASN 225 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3nrr n HIS 226 N -1.53 2.49 0.32 3.10 -0.00 -1.13 -3.31 115.22 115.17 3nrr n HIS 226 Ca 0.04 0.22 0.20 0.00 0.46 0.00 0.00 57.72 58.64 3nrr n HIS 226 Cb 0.34 -2.58 1.07 0.00 -0.12 0.00 0.00 29.99 28.70 3nrr n HIS 226 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 3nrr h GLU 227 N 5.78 0.00 0.00 1.57 5.08 -1.90 -2.29 114.58 122.83 3nrr h GLU 227 Ca -0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3nrr h GLU 227 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 3nrr h GLU 227 CO 0.88 0.01 -0.11 1.49 -1.00 0.00 0.00 179.01 180.27 3nrr h GLU 228 N 0.00 0.00 0.00 2.33 4.81 -1.96 -2.14 114.58 117.62 3nrr h GLU 228 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3nrr h GLU 228 Cb 0.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3nrr h GLU 228 CO 0.00 0.11 -0.03 0.74 -0.73 0.00 0.00 179.01 179.10 3nrr h PHE 229 N 0.00 0.00 -0.47 0.92 0.04 -1.75 -1.80 116.94 113.88 3nrr h PHE 229 Ca -0.00 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.82 3nrr h PHE 229 Cb 0.51 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.61 3nrr h PHE 229 CO 0.00 0.03 0.19 1.96 -0.60 0.00 0.00 178.31 179.89 3nrr h GLN 230 N 0.00 0.37 -0.16 1.51 4.20 -1.58 0.16 115.11 119.61 3nrr h GLN 230 Ca -0.00 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3nrr h GLN 230 Cb 0.07 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3nrr h GLN 230 CO 0.00 0.25 -0.12 -0.92 -0.67 0.00 0.00 178.83 177.37 3nrr h TYR 231 N 0.38 0.42 -0.43 2.96 3.20 -1.51 -2.53 116.97 119.46 3nrr h TYR 231 Ca 0.22 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 3nrr h TYR 231 Cb 0.19 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3nrr h TYR 231 CO -0.14 0.71 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.99 3nrr h LEU 232 N 0.00 0.69 -0.88 2.82 3.38 -1.17 -0.81 115.31 119.35 3nrr h LEU 232 Ca 0.03 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3nrr h LEU 232 Cb 0.62 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3nrr h LEU 232 CO 0.03 0.78 -0.03 0.44 0.09 0.00 0.00 178.44 179.76 3nrr h ASP 233 N 0.67 0.77 -0.15 -0.43 3.32 -0.70 -0.41 116.42 119.48 3nrr h ASP 233 Ca 0.13 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3nrr h ASP 233 Cb 0.46 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3nrr h ASP 233 CO 0.02 0.86 0.04 0.40 -1.72 0.00 0.00 179.24 178.84 3nrr h ILE 234 N 0.74 1.19 -0.35 0.35 2.04 -0.95 0.18 117.51 120.71 3nrr h ILE 234 Ca 0.14 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.45 3nrr h ILE 234 Cb 0.49 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 3nrr h ILE 234 CO 0.02 0.18 0.02 -0.07 0.00 0.00 0.00 178.15 178.30 3nrr h LEU 235 N 0.06 -0.10 -1.23 1.44 3.38 -0.89 -0.75 115.31 117.21 3nrr h LEU 235 Ca 0.05 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3nrr h LEU 235 Cb 0.25 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3nrr h LEU 235 CO -0.00 -0.02 0.03 0.00 0.09 0.00 0.00 178.44 178.54 3nrr h ALA 236 N 1.29 1.38 -0.39 1.53 0.00 -0.81 -2.05 119.26 120.21 3nrr h ALA 236 Ca 0.17 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3nrr h ALA 236 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3nrr h ALA 236 CO -0.27 0.44 -0.11 0.22 0.00 0.00 0.00 179.25 179.53 3nrr h ASP 237 N 0.54 0.77 -0.26 0.00 3.58 0.01 -0.17 116.42 120.88 3nrr h ASP 237 Ca 0.12 -0.37 -0.05 0.00 0.42 0.00 0.00 57.03 57.15 3nrr h ASP 237 Cb 0.30 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3nrr h ASP 237 CO 0.01 0.96 -0.04 0.58 -2.88 0.00 0.00 179.24 177.86 3nrr h VAL 238 N 0.57 1.28 -0.97 2.25 2.07 -1.07 0.34 116.25 120.72 3nrr h VAL 238 Ca 0.10 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.61 3nrr h VAL 238 Cb 0.63 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 3nrr h VAL 238 CO 0.04 0.32 0.64 -0.07 0.02 0.00 0.00 177.57 178.52 3nrr h LEU 239 N 0.24 1.09 -0.17 2.57 3.38 -1.37 0.90 115.31 121.95 3nrr h LEU 239 Ca 0.07 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 3nrr h LEU 239 Cb 0.50 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.99 3nrr h LEU 239 CO 0.02 0.77 -0.89 0.28 0.09 0.00 0.00 178.44 178.71 3nrr h SER 240 N 1.27 0.71 0.00 -0.43 0.02 -0.77 -3.42 113.55 110.94 3nrr h SER 240 Ca 0.37 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3nrr h SER 240 Cb -0.08 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.24 3nrr h SER 240 CO -0.10 1.31 0.00 1.41 -1.14 0.00 0.00 176.83 178.32 3nrr n HIS 241 N -3.83 0.00 -1.95 3.45 8.25 0.09 -4.76 115.22 116.46 3nrr n HIS 241 Ca -0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.05 3nrr n HIS 241 Cb 0.80 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.94 3nrr n HIS 241 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3nrr s GLY 242 N -0.14 2.23 -0.12 -1.41 0.00 0.31 -4.96 107.32 103.22 3nrr s GLY 242 Ca 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 44.72 45.12 3nrr s GLY 242 CO 0.00 0.88 0.32 0.14 0.00 0.00 0.00 173.10 174.44 3nrr s VAL 243 N -2.28 5.26 -0.10 1.40 1.01 -0.09 -4.66 120.40 120.94 3nrr s VAL 243 Ca 0.67 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 3nrr s VAL 243 Cb -0.19 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3nrr s VAL 243 CO 0.37 0.44 1.25 -0.22 0.00 0.00 0.00 175.10 176.94 3nrr s LEU 244 N 0.06 4.24 0.00 3.92 2.96 -1.26 -1.39 118.68 127.21 3nrr s LEU 244 Ca 0.19 1.79 0.01 0.00 -0.22 0.00 0.00 54.13 55.91 3nrr s LEU 244 Cb -0.14 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 3nrr s LEU 244 CO 0.06 -0.67 -0.05 -0.54 -1.32 0.00 0.00 176.35 173.83 3nrr s LYS 245 N 2.79 0.38 0.95 1.98 1.02 -0.25 -4.98 119.74 121.63 3nrr s LYS 245 Ca 0.56 -0.25 -0.11 0.00 0.02 0.00 0.00 55.97 56.19 3nrr s LYS 245 Cb -0.24 -0.33 0.16 0.00 -0.52 0.00 0.00 37.83 36.90 3nrr s LYS 245 CO 0.19 0.09 1.10 -2.14 -0.92 0.00 0.00 175.35 173.67 3nrr s PRO 246 N -0.34 0.77 0.37 -1.68 0.02 -1.26 -1.67 135.00 131.21 3nrr s PRO 246 Ca -0.00 1.20 -0.14 0.00 0.02 0.00 0.00 61.00 62.08 3nrr s PRO 246 Cb -0.03 -1.72 0.04 0.00 0.02 0.00 0.00 34.50 32.81 3nrr s PRO 246 CO -0.00 -2.69 0.73 0.54 -0.33 0.00 0.00 177.00 175.25 3nrr s ASN 247 N -2.87 0.15 0.41 2.53 2.20 -1.26 -4.84 114.94 111.25 3nrr s ASN 247 Ca 0.66 -1.17 0.17 0.00 -0.94 0.00 0.00 52.86 51.57 3nrr s ASN 247 Cb -0.22 0.81 1.05 0.00 -2.00 0.00 0.00 41.25 40.89 3nrr s ASN 247 CO 0.59 -1.60 1.84 -0.09 -2.94 0.00 0.00 177.10 174.90 3nrr h ARG 248 N 2.02 0.43 0.00 3.55 2.43 -1.97 -2.75 114.38 118.09 3nrr h ARG 248 Ca -0.31 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 3nrr h ARG 248 Cb 1.25 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3nrr h ARG 248 CO 0.39 0.28 -0.06 1.79 -1.51 0.00 0.00 179.97 180.86 3nrr h THR 249 N 0.44 0.14 0.00 0.20 1.35 -1.96 -3.47 112.91 109.61 3nrr h THR 249 Ca 0.49 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3nrr h THR 249 Cb 1.18 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3nrr h THR 249 CO -0.21 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.74 3nrr n GLY 250 N 0.41 1.79 3.53 5.82 0.00 -1.04 -4.85 105.19 110.84 3nrr n GLY 250 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3nrr n GLY 250 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nrr s THR 251 N -2.69 4.42 0.77 2.61 2.01 -1.26 -5.01 115.64 116.49 3nrr s THR 251 Ca 0.00 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 3nrr s THR 251 Cb 0.00 -3.02 0.06 0.00 0.01 0.00 0.00 72.50 69.55 3nrr s THR 251 CO 0.00 0.41 1.10 -1.81 -0.69 0.00 0.00 174.62 173.63 3nrr s ASP 252 N 0.92 4.46 0.00 3.53 1.01 -1.26 -4.62 116.67 120.72 3nrr s ASP 252 Ca 0.03 1.86 -0.02 0.00 0.71 0.00 0.00 52.55 55.13 3nrr s ASP 252 Cb -0.14 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.26 3nrr s ASP 252 CO 0.02 -2.07 0.03 0.00 0.21 0.00 0.00 175.17 173.37 3nrr s ALA 253 N -2.83 -0.05 0.05 5.23 0.00 -0.67 -1.37 121.76 122.11 3nrr s ALA 253 Ca 0.62 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 3nrr s ALA 253 Cb -0.18 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3nrr s ALA 253 CO 0.55 -0.12 1.13 0.71 0.00 0.00 0.00 175.76 178.03 3nrr s TYR 254 N -0.87 3.51 0.01 0.00 2.02 -0.33 -1.09 117.35 120.59 3nrr s TYR 254 Ca -0.10 1.43 0.02 0.00 -0.37 0.00 0.00 57.07 58.05 3nrr s TYR 254 Cb -0.06 -3.32 -0.01 0.00 -0.40 0.00 0.00 41.96 38.17 3nrr s TYR 254 CO -0.00 -0.87 -0.06 0.45 -1.57 0.00 0.00 175.55 173.50 3nrr s SER 255 N 1.01 0.66 0.05 2.29 0.15 -0.49 -0.77 113.70 116.60 3nrr s SER 255 Ca 0.56 -0.20 -0.08 0.00 0.70 0.00 0.00 55.95 56.93 3nrr s SER 255 Cb -0.27 -0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.00 3nrr s SER 255 CO 0.29 0.00 0.17 -0.75 1.20 0.00 0.00 173.24 174.15 3nrr s LYS 256 N -0.46 0.71 -0.11 5.44 2.20 -0.56 -0.92 119.74 126.04 3nrr s LYS 256 Ca -0.01 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 3nrr s LYS 256 Cb -0.04 0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 3nrr s LYS 256 CO -0.00 -0.20 -0.18 0.12 -0.36 0.00 0.00 175.35 174.73 3nrr s PHE 257 N -2.93 2.68 0.00 4.03 5.36 -1.26 -1.40 117.98 124.47 3nrr s PHE 257 Ca -0.02 -0.75 0.00 0.00 -0.96 0.00 0.00 56.93 55.20 3nrr s PHE 257 Cb 0.01 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.93 3nrr s PHE 257 CO -0.06 -0.25 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 3nrr n GLY 258 N 3.37 -1.49 3.22 13.12 0.00 -0.76 -5.03 105.19 117.63 3nrr n GLY 258 Ca -0.18 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 3nrr n GLY 258 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3nrr s TYR 259 N 0.00 1.15 -0.14 1.61 2.02 -0.33 -4.99 117.35 116.67 3nrr s TYR 259 Ca 0.00 -1.14 -0.05 0.00 -0.37 0.00 0.00 57.07 55.51 3nrr s TYR 259 Cb 0.00 -0.65 0.07 0.00 -0.40 0.00 0.00 41.96 40.98 3nrr s TYR 259 CO 0.00 -0.36 0.27 -1.14 -1.57 0.00 0.00 175.55 172.75 3nrr s GLN 260 N -3.99 0.16 0.09 -0.62 0.74 -1.26 -1.52 119.66 113.26 3nrr s GLN 260 Ca 0.27 0.70 0.06 0.00 0.05 0.00 0.00 55.36 56.44 3nrr s GLN 260 Cb 0.07 -0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.00 3nrr s GLN 260 CO 0.05 -0.33 -0.04 -1.64 -0.55 0.00 0.00 175.29 172.78 3nrr s MET 261 N 2.42 2.39 0.04 1.67 -1.94 -0.48 -4.97 119.30 118.43 3nrr s MET 261 Ca 0.02 -0.91 0.03 0.00 -1.71 0.00 0.00 55.69 53.13 3nrr s MET 261 Cb -0.12 -2.45 -0.02 0.00 2.01 0.00 0.00 34.83 34.24 3nrr s MET 261 CO -0.09 0.53 -0.10 -0.98 -0.01 0.00 0.00 175.02 174.37 3nrr s ARG 262 N -2.26 0.64 -0.06 2.03 1.70 -1.26 -0.90 118.95 118.84 3nrr s ARG 262 Ca 0.24 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 54.80 3nrr s ARG 262 Cb -0.11 -0.52 0.02 0.00 -0.57 0.00 0.00 34.95 33.77 3nrr s ARG 262 CO 0.16 0.12 -0.05 -0.06 -1.08 0.00 0.00 175.30 174.39 3nrr s PHE 263 N -1.07 0.91 -0.77 5.89 0.08 0.23 -4.97 117.98 118.28 3nrr s PHE 263 Ca -0.05 -0.31 -0.26 0.00 0.12 0.00 0.00 56.93 56.43 3nrr s PHE 263 Cb -0.08 -0.82 0.03 0.00 -0.57 0.00 0.00 43.02 41.58 3nrr s PHE 263 CO 0.01 -0.28 1.28 0.34 -0.10 0.00 0.00 175.22 176.47 3nrr s ASP 264 N 1.26 6.20 0.01 1.36 -1.08 -1.26 -0.88 116.67 122.28 3nrr s ASP 264 Ca -0.05 -0.60 0.19 0.00 -0.52 0.00 0.00 52.55 51.57 3nrr s ASP 264 Cb -0.14 -2.55 0.80 0.00 -1.46 0.00 0.00 42.92 39.57 3nrr s ASP 264 CO -0.02 -1.78 1.60 0.18 0.52 0.00 0.00 175.17 175.67 3nrr n LEU 265 N 9.23 0.04 0.24 -1.34 4.77 -0.29 -2.12 117.00 127.53 3nrr n LEU 265 Ca 0.06 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.68 3nrr n LEU 265 Cb 0.49 -0.50 0.33 0.00 -2.33 0.00 0.00 43.42 41.41 3nrr n LEU 265 CO 0.70 -0.20 0.86 0.77 -1.33 0.00 0.00 177.39 178.20 3nrr h SER 266 N 0.00 0.00 0.00 -1.43 4.64 -1.71 -3.37 113.55 111.69 3nrr h SER 266 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3nrr h SER 266 Cb 0.33 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.35 3nrr h SER 266 CO 0.00 0.01 -2.40 0.54 -0.87 0.00 0.00 176.83 174.11 3nrr n ARG 267 N -3.10 0.63 -3.88 4.77 1.74 -0.90 -4.86 116.66 111.06 3nrr n ARG 267 Ca 0.03 0.13 -0.08 0.00 -0.77 0.00 0.00 57.85 57.16 3nrr n ARG 267 Cb 0.46 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 3nrr n ARG 267 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3nrr s SER 268 N -6.33 -0.17 -0.25 0.55 1.04 -1.16 -2.90 113.70 104.49 3nrr s SER 268 Ca -0.32 -0.76 -0.06 0.00 0.48 0.00 0.00 55.95 55.29 3nrr s SER 268 Cb 0.08 0.73 -0.01 0.00 0.10 0.00 0.00 66.02 66.92 3nrr s SER 268 CO 0.58 -1.37 0.03 0.12 0.98 0.00 0.00 173.24 173.58 3nrr s PHE 269 N -3.65 3.06 -1.46 5.02 5.36 0.73 -4.36 117.98 122.67 3nrr s PHE 269 Ca 0.14 -0.70 -0.12 0.00 -0.96 0.00 0.00 56.93 55.29 3nrr s PHE 269 Cb -0.05 -2.20 0.04 0.00 -0.34 0.00 0.00 43.02 40.47 3nrr s PHE 269 CO 0.08 -0.46 2.34 -0.35 -1.46 0.00 0.00 175.22 175.37 3nrr n PRO 270 N 4.87 3.30 -3.34 10.12 -0.04 -1.26 -3.71 135.00 144.94 3nrr n PRO 270 Ca -0.16 -2.74 -0.40 0.00 -0.04 0.00 0.00 63.50 60.16 3nrr n PRO 270 Cb 0.51 -3.07 -0.09 0.00 -0.04 0.00 0.00 33.50 30.81 3nrr n PRO 270 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3nrr s LEU 271 N 1.04 4.09 0.39 1.53 2.96 -1.26 -4.29 118.68 123.13 3nrr s LEU 271 Ca 0.51 0.30 -0.26 0.00 -0.22 0.00 0.00 54.13 54.46 3nrr s LEU 271 Cb 0.14 -2.50 -0.11 0.00 0.50 0.00 0.00 46.19 44.23 3nrr s LEU 271 CO -0.07 -0.24 1.24 0.18 -1.32 0.00 0.00 176.35 176.14 3nrr n LEU 272 N 5.43 3.66 -0.00 -0.68 4.77 -1.26 -4.70 117.00 124.21 3nrr n LEU 272 Ca -0.07 1.13 0.09 0.00 -0.03 0.00 0.00 56.01 57.13 3nrr n LEU 272 Cb 0.50 -1.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.00 3nrr n LEU 272 CO 0.39 -0.72 -0.38 0.35 -1.33 0.00 0.00 177.39 175.70 3nrr n THR 273 N -0.07 0.00 1.33 -5.08 -2.24 -1.26 -4.44 114.28 102.52 3nrr n THR 273 Ca 0.06 -0.25 0.14 0.00 -2.27 0.00 0.00 64.05 61.73 3nrr n THR 273 Cb 0.38 0.54 0.71 0.00 -2.10 0.00 0.00 70.33 69.86 3nrr n THR 273 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3nrr n THR 274 N -1.78 0.07 -3.77 4.28 -2.24 -1.26 -0.90 114.28 108.68 3nrr n THR 274 Ca -0.00 0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 3nrr n THR 274 Cb 0.38 -0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 68.00 3nrr n THR 274 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3nrr s LYS 275 N -2.59 0.97 -0.17 -0.78 -2.85 -1.26 -4.70 119.74 108.36 3nrr s LYS 275 Ca 0.26 -0.86 -0.29 0.00 -1.00 0.00 0.00 55.97 54.08 3nrr s LYS 275 Cb 0.19 0.40 -0.00 0.00 -2.06 0.00 0.00 37.83 36.36 3nrr s LYS 275 CO 0.44 -0.35 1.10 0.21 0.10 0.00 0.00 175.35 176.85 3nrr s LYS 276 N -3.84 4.29 -0.07 1.78 2.20 -0.90 -4.65 119.74 118.55 3nrr s LYS 276 Ca 0.05 1.47 -0.03 0.00 -0.36 0.00 0.00 55.97 57.10 3nrr s LYS 276 Cb 0.03 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3nrr s LYS 276 CO -0.11 -0.57 0.07 0.08 -0.36 0.00 0.00 175.35 174.47 3nrr s VAL 277 N 2.94 4.81 -1.34 4.02 1.01 -1.26 -4.58 120.40 126.00 3nrr s VAL 277 Ca 0.49 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 3nrr s VAL 277 Cb -0.18 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.17 3nrr s VAL 277 CO 0.12 0.52 1.85 0.00 0.00 0.00 0.00 175.10 177.60 3nrr n ALA 278 N 1.77 4.19 -0.25 5.51 0.00 -1.26 -4.82 120.51 125.64 3nrr n ALA 278 Ca -0.17 -3.91 0.05 0.00 0.00 0.00 0.00 53.44 49.41 3nrr n ALA 278 Cb 0.54 -3.52 0.18 0.00 0.00 0.00 0.00 19.45 16.64 3nrr n ALA 278 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3nrr h LEU 279 N 11.47 0.26 -0.62 0.00 5.85 -2.00 -2.27 115.31 128.00 3nrr h LEU 279 Ca 0.47 0.11 0.08 0.00 0.84 0.00 0.00 57.88 59.38 3nrr h LEU 279 Cb 0.80 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 3nrr h LEU 279 CO 1.57 0.10 0.29 -0.09 -0.34 0.00 0.00 178.44 179.97 3nrr h ARG 280 N 0.43 0.50 -0.75 1.25 2.43 -2.00 -0.23 114.38 116.01 3nrr h ARG 280 Ca 0.41 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.52 3nrr h ARG 280 Cb 0.61 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 3nrr h ARG 280 CO -0.40 0.33 0.37 0.77 -1.51 0.00 0.00 179.97 179.53 3nrr h SER 281 N 0.52 0.97 -0.28 -3.80 0.02 -1.80 -1.42 113.55 107.75 3nrr h SER 281 Ca 0.30 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3nrr h SER 281 Cb 0.30 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3nrr h SER 281 CO -0.25 0.82 0.18 0.40 -1.14 0.00 0.00 176.83 176.84 3nrr h ILE 282 N 1.07 1.08 -0.31 3.27 2.04 -1.11 -1.20 117.51 122.35 3nrr h ILE 282 Ca 0.26 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 3nrr h ILE 282 Cb 0.10 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3nrr h ILE 282 CO -0.03 0.08 0.00 0.40 0.00 0.00 0.00 178.15 178.59 3nrr h ILE 283 N 0.38 1.26 -0.90 -0.67 2.04 -0.85 -1.62 117.51 117.15 3nrr h ILE 283 Ca 0.10 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3nrr h ILE 283 Cb -0.03 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3nrr h ILE 283 CO -0.02 0.31 0.53 -0.33 0.00 0.00 0.00 178.15 178.63 3nrr h GLU 284 N 0.34 1.23 -0.47 2.37 4.39 -1.19 -0.22 114.58 121.03 3nrr h GLU 284 Ca 0.09 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3nrr h GLU 284 Cb 0.44 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3nrr h GLU 284 CO 0.02 0.87 0.23 1.49 -1.16 0.00 0.00 179.01 180.46 3nrr h GLU 285 N 1.24 0.67 -0.59 2.33 4.81 -1.04 -1.87 114.58 120.14 3nrr h GLU 285 Ca 0.32 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 3nrr h GLU 285 Cb -0.03 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3nrr h GLU 285 CO -0.06 0.56 0.20 1.25 -0.73 0.00 0.00 179.01 180.24 3nrr h LEU 286 N 0.61 0.84 -1.19 1.64 5.85 -0.88 -0.70 115.31 121.49 3nrr h LEU 286 Ca 0.16 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3nrr h LEU 286 Cb 0.11 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3nrr h LEU 286 CO -0.02 0.81 0.09 -0.07 -0.34 0.00 0.00 178.44 178.91 3nrr h LEU 287 N 0.82 0.61 -0.37 2.25 3.38 -0.87 -1.13 115.31 120.00 3nrr h LEU 287 Ca 0.19 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3nrr h LEU 287 Cb 0.25 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3nrr h LEU 287 CO -0.01 0.62 0.07 -0.25 0.09 0.00 0.00 178.44 178.96 3nrr h TRP 288 N 0.64 0.65 -0.20 1.13 7.01 -0.82 -1.34 115.95 123.02 3nrr h TRP 288 Ca 0.14 -0.09 0.04 0.00 2.11 0.00 0.00 58.89 61.09 3nrr h TRP 288 Cb 0.26 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.11 3nrr h TRP 288 CO 0.01 0.65 -0.02 0.74 -2.79 0.00 0.00 178.44 177.03 3nrr h PHE 289 N 0.46 -0.04 -0.88 2.65 0.04 -0.61 -2.41 116.94 116.15 3nrr h PHE 289 Ca 0.11 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 3nrr h PHE 289 Cb 0.34 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 3nrr h PHE 289 CO 0.02 -0.05 0.48 0.82 -0.60 0.00 0.00 178.31 178.98 3nrr h ILE 290 N 0.04 1.26 0.00 -0.55 2.04 -1.03 -1.60 117.51 117.67 3nrr h ILE 290 Ca 0.09 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3nrr h ILE 290 Cb 0.13 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3nrr h ILE 290 CO -0.18 0.29 0.00 2.29 0.00 0.00 0.00 178.15 180.56 3nrr n LYS 291 N -4.34 0.52 -0.75 2.37 2.85 -0.52 -4.89 118.16 113.40 3nrr n LYS 291 Ca 0.09 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 3nrr n LYS 291 Cb 0.10 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 3nrr n LYS 291 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3nrr n GLY 292 N 0.71 0.56 3.79 2.58 0.00 -0.60 -5.04 105.19 107.20 3nrr n GLY 292 Ca 0.14 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 3nrr n GLY 292 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3nrr s SER 293 N -2.49 7.24 -0.04 1.61 0.15 -0.93 -3.66 113.70 115.59 3nrr s SER 293 Ca 0.00 1.79 0.06 0.00 0.70 0.00 0.00 55.95 58.50 3nrr s SER 293 Cb 0.00 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.84 3nrr s SER 293 CO 0.00 -0.13 1.01 0.35 1.20 0.00 0.00 173.24 175.68 3nrr n THR 294 N 0.31 1.17 -3.48 6.45 -2.24 -1.26 -4.46 114.28 110.77 3nrr n THR 294 Ca 0.03 -1.29 -0.43 0.00 -2.27 0.00 0.00 64.05 60.09 3nrr n THR 294 Cb 0.51 0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 68.95 3nrr n THR 294 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3nrr s ASN 295 N -1.52 5.99 0.59 3.42 3.84 -1.26 -2.06 114.94 123.93 3nrr s ASN 295 Ca 0.10 -1.15 0.37 0.00 0.21 0.00 0.00 52.86 52.39 3nrr s ASN 295 Cb 0.09 -2.12 1.80 0.00 -0.55 0.00 0.00 41.25 40.47 3nrr s ASN 295 CO 0.01 -0.52 2.15 1.23 -2.79 0.00 0.00 177.10 177.18 3nrr h GLY 296 N 8.61 0.00 2.00 1.21 0.00 -1.28 -1.83 103.07 111.78 3nrr h GLY 296 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3nrr h GLY 296 CO 0.78 0.00 -0.05 3.43 0.00 0.00 0.00 176.54 180.69 3nrr h ASN 297 N 0.00 0.00 0.24 0.19 2.35 -1.92 -1.80 115.58 114.65 3nrr h ASN 297 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3nrr h ASN 297 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3nrr h ASN 297 CO 0.00 0.05 -0.22 0.44 -1.65 0.00 0.00 177.43 176.06 3nrr h ASP 298 N 0.00 0.00 0.15 5.81 3.32 -1.73 0.30 116.42 124.27 3nrr h ASP 298 Ca -0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 3nrr h ASP 298 Cb 0.11 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.67 3nrr h ASP 298 CO 0.01 0.22 -1.37 -0.07 -1.72 0.00 0.00 179.24 176.30 3nrr h LEU 299 N 0.00 0.51 -0.92 1.55 3.38 -1.58 -3.32 115.31 114.93 3nrr h LEU 299 Ca -0.00 -0.90 0.05 0.00 0.09 0.00 0.00 57.88 57.12 3nrr h LEU 299 Cb 0.40 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3nrr h LEU 299 CO 0.03 1.62 0.59 -0.07 0.09 0.00 0.00 178.44 180.70 3nrr h LEU 300 N -0.18 0.95 -2.84 1.67 3.38 -1.00 -0.16 115.31 117.14 3nrr h LEU 300 Ca -0.28 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3nrr h LEU 300 Cb 1.86 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 3nrr h LEU 300 CO 0.13 0.62 0.01 0.00 0.09 0.00 0.00 178.44 179.29 3nrr h ALA 301 N 1.41 1.14 -0.46 1.53 0.00 -1.07 0.16 119.26 121.98 3nrr h ALA 301 Ca 0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 3nrr h ALA 301 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3nrr h ALA 301 CO -0.16 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.72 3nrr n LYS 302 N -3.27 4.16 -3.11 0.00 5.02 -0.16 -4.94 118.16 115.86 3nrr n LYS 302 Ca -0.03 -3.05 -0.23 0.00 -2.02 0.00 0.00 58.31 52.98 3nrr n LYS 302 Cb 0.08 -2.11 0.04 0.00 -0.02 0.00 0.00 35.03 33.02 3nrr n LYS 302 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3nrr n ASN 303 N 0.18 -6.18 -4.10 4.39 4.13 0.04 -4.99 115.26 108.74 3nrr n ASN 303 Ca 0.26 -0.33 -0.32 0.00 1.68 0.00 0.00 54.58 55.86 3nrr n ASN 303 Cb 1.09 -4.96 -0.16 0.00 -1.54 0.00 0.00 39.78 34.21 3nrr n ASN 303 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3nrr s VAL 304 N -3.20 1.96 -0.17 2.41 1.01 -0.68 -5.00 120.40 116.72 3nrr s VAL 304 Ca 0.35 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.55 3nrr s VAL 304 Cb -0.15 -1.78 0.18 0.00 0.00 0.00 0.00 36.38 34.63 3nrr s VAL 304 CO 0.43 0.52 1.12 0.54 0.00 0.00 0.00 175.10 177.72 3nrr n ARG 305 N 4.64 2.38 0.24 2.72 1.74 -1.26 -2.97 116.66 124.16 3nrr n ARG 305 Ca -0.20 -2.06 0.10 0.00 -0.77 0.00 0.00 57.85 54.92 3nrr n ARG 305 Cb 0.50 -1.28 0.62 0.00 -1.02 0.00 0.00 32.46 31.28 3nrr n ARG 305 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 3nrr h ILE 306 N 0.40 0.75 -0.34 0.55 3.07 -1.96 -2.28 117.51 117.69 3nrr h ILE 306 Ca 0.00 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.72 3nrr h ILE 306 Cb 0.79 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 3nrr h ILE 306 CO 0.02 0.17 0.00 0.79 -1.05 0.00 0.00 178.15 178.08 3nrr n TRP 307 N -3.79 0.44 -0.17 0.16 7.02 -1.26 -4.68 117.44 115.16 3nrr n TRP 307 Ca -0.02 -0.29 -0.08 0.00 -1.02 0.00 0.00 57.50 56.09 3nrr n TRP 307 Cb 0.27 -0.01 0.01 0.00 -2.42 0.00 0.00 31.31 29.17 3nrr n TRP 307 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3nrr h GLU 308 N 3.45 0.72 0.00 -0.99 4.81 -1.75 -2.85 114.58 117.97 3nrr h GLU 308 Ca 0.00 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 3nrr h GLU 308 Cb 0.83 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3nrr h GLU 308 CO 0.00 0.60 -0.44 -0.07 -0.73 0.00 0.00 179.01 178.37 3nrr h LEU 309 N 0.66 0.00 -0.05 1.64 3.38 -1.83 -2.15 115.31 116.95 3nrr h LEU 309 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3nrr h LEU 309 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3nrr h LEU 309 CO -0.02 0.44 -0.06 0.59 0.09 0.00 0.00 178.44 179.48 3nrr n ASN 310 N -3.65 0.14 -0.45 -0.43 4.13 -1.09 -3.15 115.26 110.76 3nrr n ASN 310 Ca -0.01 -0.09 0.07 0.00 1.68 0.00 0.00 54.58 56.23 3nrr n ASN 310 Cb 0.53 -0.25 0.03 0.00 -1.54 0.00 0.00 39.78 38.55 3nrr n ASN 310 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3nrr n GLY 311 N 1.35 -0.08 3.78 7.41 0.00 -0.84 -4.74 105.19 112.06 3nrr n GLY 311 Ca 0.12 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3nrr n GLY 311 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nrr s ARG 312 N -1.33 3.54 0.23 1.61 0.52 -0.99 -0.08 118.95 122.44 3nrr s ARG 312 Ca 0.14 1.58 -0.10 0.00 -0.52 0.00 0.00 55.73 56.83 3nrr s ARG 312 Cb 0.11 -2.10 0.36 0.00 0.52 0.00 0.00 34.95 33.84 3nrr s ARG 312 CO 0.23 -0.69 1.63 -0.09 0.02 0.00 0.00 175.30 176.40 3nrr h ARG 313 N 1.44 0.06 -0.13 3.54 9.65 -1.93 0.00 114.38 127.01 3nrr h ARG 313 Ca -0.50 -0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.23 3nrr h ARG 313 Cb 1.25 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 3nrr h ARG 313 CO 0.58 0.04 -0.56 0.38 2.80 0.00 0.00 179.97 183.21 3nrr h ASP 314 N 0.06 0.44 -0.37 -3.80 2.03 -1.93 0.20 116.42 113.05 3nrr h ASP 314 Ca 0.37 -0.24 -0.08 0.00 -0.73 0.00 0.00 57.03 56.35 3nrr h ASP 314 Cb 0.62 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.99 3nrr h ASP 314 CO -0.68 0.91 -0.09 0.15 -1.03 0.00 0.00 179.24 178.50 3nrr h PHE 315 N 0.30 0.80 -0.10 4.15 3.57 -1.71 -1.70 116.94 122.25 3nrr h PHE 315 Ca 0.00 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 3nrr h PHE 315 Cb 1.07 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 3nrr h PHE 315 CO 0.03 0.86 0.04 -0.07 -2.23 0.00 0.00 178.31 176.94 3nrr h LEU 316 N 0.51 0.14 -1.27 0.59 3.38 -0.62 -2.04 115.31 115.99 3nrr h LEU 316 Ca 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3nrr h LEU 316 Cb 0.60 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3nrr h LEU 316 CO 0.04 0.28 0.21 0.44 0.09 0.00 0.00 178.44 179.49 3nrr h ASP 317 N -0.01 0.65 0.18 -0.43 3.32 -0.70 0.24 116.42 119.67 3nrr h ASP 317 Ca 0.03 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3nrr h ASP 317 Cb 0.18 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3nrr h ASP 317 CO -0.00 0.58 -0.22 0.50 -1.72 0.00 0.00 179.24 178.38 3nrr h LYS 318 N 0.71 0.07 -0.36 3.56 3.11 -1.10 -3.25 116.57 119.32 3nrr h LYS 318 Ca 0.17 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.89 3nrr h LYS 318 Cb 0.13 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.29 3nrr h LYS 318 CO -0.02 0.29 0.02 0.09 -2.81 0.00 0.00 179.45 177.03 3nrr n ASN 319 N -4.25 3.46 0.00 4.20 4.13 -0.78 -4.95 115.26 117.07 3nrr n ASN 319 Ca -0.02 -3.32 0.00 0.00 1.68 0.00 0.00 54.58 52.92 3nrr n ASN 319 Cb 0.29 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 3nrr n ASN 319 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3nrr n GLY 320 N -0.73 0.67 2.90 7.41 0.00 -0.98 -4.95 105.19 109.51 3nrr n GLY 320 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 3nrr n GLY 320 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3nrr n PHE 321 N -2.62 2.96 0.23 1.61 3.72 0.77 -4.70 117.46 119.42 3nrr n PHE 321 Ca 0.00 -2.34 0.09 0.00 -0.05 0.00 0.00 57.45 55.15 3nrr n PHE 321 Cb 0.00 -1.19 0.53 0.00 -0.94 0.00 0.00 39.48 37.88 3nrr n PHE 321 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3nrr h THR 322 N 2.01 0.74 -0.25 4.37 1.35 -1.87 -2.21 112.91 117.04 3nrr h THR 322 Ca 0.57 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3nrr h THR 322 Cb 0.04 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3nrr h THR 322 CO 1.42 0.23 0.00 0.47 -0.25 0.00 0.00 175.52 177.39 3nrr n ASP 323 N -3.64 2.39 -4.75 5.36 9.92 -1.26 -4.93 116.55 119.64 3nrr n ASP 323 Ca -0.01 -1.83 -0.39 0.00 -0.53 0.00 0.00 54.79 52.02 3nrr n ASP 323 Cb 0.36 -0.16 -0.05 0.00 -0.64 0.00 0.00 41.12 40.63 3nrr n ASP 323 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3nrr s ARG 324 N -1.68 4.39 0.55 -1.24 1.81 -0.83 -5.05 118.95 116.91 3nrr s ARG 324 Ca 0.34 0.86 -0.21 0.00 -1.72 0.00 0.00 55.73 55.01 3nrr s ARG 324 Cb 0.19 -3.36 -0.05 0.00 -0.45 0.00 0.00 34.95 31.29 3nrr s ARG 324 CO 0.28 0.31 1.26 -2.00 -0.68 0.00 0.00 175.30 174.47 3nrr s GLU 325 N -0.06 3.15 0.26 3.54 2.12 -1.26 -4.93 118.70 121.53 3nrr s GLU 325 Ca 0.34 1.98 -0.31 0.00 0.36 0.00 0.00 54.97 57.34 3nrr s GLU 325 Cb -0.19 -2.13 -0.13 0.00 0.26 0.00 0.00 34.13 31.94 3nrr s GLU 325 CO 0.19 -1.10 1.47 -1.91 -0.54 0.00 0.00 175.26 173.37 3nrr n GLU 326 N -1.20 2.28 -1.02 4.30 2.13 -1.26 -1.71 120.64 124.17 3nrr n GLU 326 Ca 0.11 0.81 -0.01 0.00 0.66 0.00 0.00 57.16 58.74 3nrr n GLU 326 Cb 0.48 -2.51 -0.00 0.00 0.27 0.00 0.00 31.44 29.67 3nrr n GLU 326 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3nrr n HIS 327 N 1.94 0.00 -2.74 4.31 8.25 0.88 -4.92 115.22 122.94 3nrr n HIS 327 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 3nrr n HIS 327 Cb 0.34 -1.29 -0.04 0.00 1.12 0.00 0.00 29.99 30.12 3nrr n HIS 327 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3nrr s ASP 328 N -2.04 6.21 0.00 0.41 -1.08 -0.69 -0.71 116.67 118.77 3nrr s ASP 328 Ca 0.00 -0.66 0.29 0.00 -0.52 0.00 0.00 52.55 51.66 3nrr s ASP 328 Cb 0.00 -2.47 1.31 0.00 -1.46 0.00 0.00 42.92 40.30 3nrr s ASP 328 CO 0.00 -1.54 1.92 0.18 0.52 0.00 0.00 175.17 176.25 3nrr n LEU 329 N 8.25 0.33 0.00 -1.34 4.77 -0.88 -4.81 117.00 123.32 3nrr n LEU 329 Ca -0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3nrr n LEU 329 Cb 0.47 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3nrr n LEU 329 CO 0.67 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3nrr n GLY 330 N 1.28 -1.93 2.55 -0.72 0.00 -1.26 -1.52 105.19 103.59 3nrr n GLY 330 Ca 0.14 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 3nrr n GLY 330 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nrr n PRO 331 N 0.00 3.22 -0.26 1.61 -0.04 -1.26 -4.78 135.00 133.49 3nrr n PRO 331 Ca 0.00 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 3nrr n PRO 331 Cb 0.00 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.40 3nrr n PRO 331 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3nrr n ILE 332 N 4.43 0.00 -0.22 0.52 -5.35 -1.26 -4.58 119.36 112.89 3nrr n ILE 332 Ca 0.64 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 63.06 3nrr n ILE 332 Cb 0.32 -1.59 -0.05 0.00 -1.74 0.00 0.00 39.64 36.57 3nrr n ILE 332 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3nrr n TYR 333 N -1.00 -0.23 -0.05 4.28 4.01 -1.26 -0.75 117.16 122.16 3nrr n TYR 333 Ca 0.00 0.67 -0.04 0.00 -0.16 0.00 0.00 57.90 58.37 3nrr n TYR 333 Cb 0.00 -0.53 0.19 0.00 -0.31 0.00 0.00 39.34 38.69 3nrr n TYR 333 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3nrr h GLY 334 N 0.00 0.70 1.20 2.72 0.00 -1.78 -0.61 103.07 105.30 3nrr h GLY 334 Ca 0.09 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 3nrr h GLY 334 CO -0.50 0.46 0.12 -2.75 0.00 0.00 0.00 176.54 173.86 3nrr h PHE 335 N 0.60 1.03 -0.16 5.60 3.57 -1.01 -2.25 116.94 124.32 3nrr h PHE 335 Ca 0.11 -0.12 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 3nrr h PHE 335 Cb 0.51 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3nrr h PHE 335 CO 0.02 0.87 -0.69 1.96 -2.23 0.00 0.00 178.31 178.24 3nrr h GLN 336 N 0.93 0.65 -0.31 1.11 1.08 -0.91 0.71 115.11 118.38 3nrr h GLN 336 Ca 0.19 -0.49 -0.05 0.00 -1.45 0.00 0.00 58.65 56.85 3nrr h GLN 336 Cb 0.38 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 3nrr h GLN 336 CO 0.01 1.11 -0.02 -1.49 -0.95 0.00 0.00 178.83 177.49 3nrr h TRP 337 N 0.47 0.50 0.00 2.96 4.06 -0.95 -3.04 115.95 119.94 3nrr h TRP 337 Ca -0.03 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.87 3nrr h TRP 337 Cb 1.29 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 3nrr h TRP 337 CO 0.07 0.51 -1.45 0.54 -3.56 0.00 0.00 178.44 174.55 3nrr n ARG 338 N -4.28 0.37 -1.89 0.49 5.12 -0.86 -1.48 116.66 114.14 3nrr n ARG 338 Ca 0.01 -0.09 0.02 0.00 -1.93 0.00 0.00 57.85 55.86 3nrr n ARG 338 Cb 0.25 -1.24 0.04 0.00 -1.16 0.00 0.00 32.46 30.35 3nrr n ARG 338 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3nrr n HIS 339 N -1.85 0.48 -1.69 -1.55 8.25 0.25 -3.34 115.22 115.77 3nrr n HIS 339 Ca -0.02 -1.13 -0.52 0.00 -0.26 0.00 0.00 57.72 55.79 3nrr n HIS 339 Cb 0.27 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 3nrr n HIS 339 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3nrr n PHE 340 N 0.02 2.22 0.00 4.41 -0.00 -0.67 -1.28 117.46 122.15 3nrr n PHE 340 Ca 0.08 0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.74 3nrr n PHE 340 Cb 1.01 -2.58 0.00 0.00 -0.00 0.00 0.00 39.48 37.90 3nrr n PHE 340 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3nrr n GLY 341 N 4.28 0.35 3.80 7.13 0.00 -1.26 -0.22 105.19 119.27 3nrr n GLY 341 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 3nrr n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nrr s ALA 342 N -2.00 2.85 -0.29 4.61 0.00 -0.41 -4.77 121.76 121.76 3nrr s ALA 342 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 3nrr s ALA 342 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3nrr s ALA 342 CO 0.00 -0.37 1.25 -2.00 0.00 0.00 0.00 175.76 174.65 3nrr s GLU 343 N -3.29 3.98 0.10 0.00 2.12 -1.26 -4.99 118.70 115.35 3nrr s GLU 343 Ca 0.67 1.26 -0.31 0.00 0.36 0.00 0.00 54.97 56.95 3nrr s GLU 343 Cb -0.17 -3.84 -0.07 0.00 0.26 0.00 0.00 34.13 30.32 3nrr s GLU 343 CO 0.21 -1.03 1.24 -0.47 -0.54 0.00 0.00 175.26 174.67 3nrr s TYR 344 N 4.13 3.40 0.00 5.30 5.04 -1.26 -4.94 117.35 129.02 3nrr s TYR 344 Ca 0.54 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 56.42 3nrr s TYR 344 Cb -0.16 -3.48 0.00 0.00 0.35 0.00 0.00 41.96 38.67 3nrr s TYR 344 CO 0.21 -1.50 0.00 1.28 -1.34 0.00 0.00 175.55 174.20 3nrr n LEU 345 N 3.64 0.00 0.00 6.97 4.77 -1.26 -5.10 117.00 126.02 3nrr n LEU 345 Ca 0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 3nrr n LEU 345 Cb 0.45 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3nrr n LEU 345 CO 0.56 -0.01 0.13 -0.90 -1.33 0.00 0.00 177.39 175.83 3nrr n ASP 346 N -1.30 -1.23 0.00 -1.43 5.68 -1.26 -5.04 116.55 111.97 3nrr n ASP 346 Ca 0.00 -2.88 0.08 0.00 -0.50 0.00 0.00 54.79 51.49 3nrr n ASP 346 Cb 0.00 2.34 0.37 0.00 -1.14 0.00 0.00 41.12 42.70 3nrr n ASP 346 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 3nrr n MET 347 N -0.57 0.06 0.00 0.11 0.00 -1.26 -2.27 117.12 113.19 3nrr n MET 347 Ca 0.02 0.19 0.11 0.00 0.00 0.00 0.00 57.70 58.02 3nrr n MET 347 Cb 0.57 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 32.28 3nrr n MET 347 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 3nrr n HIS 348 N -1.45 0.04 -1.55 3.17 8.25 -1.26 -4.80 115.22 117.62 3nrr n HIS 348 Ca 0.05 0.01 -0.32 0.00 -0.26 0.00 0.00 57.72 57.21 3nrr n HIS 348 Cb 0.18 -0.16 0.06 0.00 1.12 0.00 0.00 29.99 31.19 3nrr n HIS 348 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3nrr s ALA 349 N -3.06 2.48 -0.26 -1.41 0.00 -0.96 -5.02 121.76 113.53 3nrr s ALA 349 Ca 0.07 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.15 3nrr s ALA 349 Cb 0.16 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3nrr s ALA 349 CO 0.82 -1.39 0.50 0.34 0.00 0.00 0.00 175.76 176.04 3nrr s ASP 350 N -3.25 6.41 -0.15 0.00 2.15 -1.26 -4.94 116.67 115.63 3nrr s ASP 350 Ca 0.62 0.49 0.17 0.00 0.43 0.00 0.00 52.55 54.25 3nrr s ASP 350 Cb -0.17 -2.27 0.42 0.00 -0.30 0.00 0.00 42.92 40.60 3nrr s ASP 350 CO 0.50 -0.28 1.31 -1.22 -0.17 0.00 0.00 175.17 175.31 3nrr n TYR 351 N 5.53 0.57 -1.77 -5.34 4.01 -1.26 -4.99 117.16 113.91 3nrr n TYR 351 Ca -0.04 -0.90 -0.42 0.00 -0.16 0.00 0.00 57.90 56.38 3nrr n TYR 351 Cb 0.50 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 3nrr n TYR 351 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3nrr s THR 352 N -2.74 2.60 0.00 -0.72 2.01 -1.26 -1.56 115.64 113.97 3nrr s THR 352 Ca 0.37 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.52 3nrr s THR 352 Cb 0.30 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.71 3nrr s THR 352 CO 0.07 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 3nrr n GLY 353 N 4.14 0.58 3.77 4.40 0.00 -1.26 -5.02 105.19 111.80 3nrr n GLY 353 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3nrr n GLY 353 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nrr s LYS 354 N -0.23 3.21 1.19 1.61 -0.14 -0.60 -5.01 119.74 119.77 3nrr s LYS 354 Ca 0.00 -0.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.33 3nrr s LYS 354 Cb 0.00 -2.98 0.00 0.00 -1.68 0.00 0.00 37.83 33.17 3nrr s LYS 354 CO 0.00 0.73 0.00 0.41 -0.76 0.00 0.00 175.35 175.73 3nrr n GLY 355 N 2.09 -1.65 3.53 -3.33 0.00 -1.26 -4.54 105.19 100.03 3nrr n GLY 355 Ca -0.19 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 3nrr n GLY 355 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nrr s ILE 356 N -0.36 4.54 -1.04 -0.61 1.01 0.69 -4.80 121.20 120.64 3nrr s ILE 356 Ca 0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 3nrr s ILE 356 Cb 0.00 -3.09 0.12 0.00 0.01 0.00 0.00 42.46 39.50 3nrr s ILE 356 CO 0.00 0.39 1.31 -0.62 0.00 0.00 0.00 174.94 176.02 3nrr s ASP 357 N 1.06 6.71 0.16 3.58 -1.08 -1.21 -1.67 116.67 124.21 3nrr s ASP 357 Ca 0.04 -2.14 -0.11 0.00 -0.52 0.00 0.00 52.55 49.81 3nrr s ASP 357 Cb -0.14 -2.45 0.03 0.00 -1.46 0.00 0.00 42.92 38.89 3nrr s ASP 357 CO 0.03 -1.11 1.60 1.56 0.52 0.00 0.00 175.17 177.78 3nrr h GLN 358 N 8.59 0.94 -0.35 4.34 4.20 -1.50 0.49 115.11 131.82 3nrr h GLN 358 Ca 0.23 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3nrr h GLN 358 Cb 0.98 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3nrr h GLN 358 CO 1.24 0.97 0.10 1.25 -0.67 0.00 0.00 178.83 181.72 3nrr h LEU 359 N 0.80 0.51 -0.70 1.46 5.85 -1.63 -0.38 115.31 121.23 3nrr h LEU 359 Ca 0.14 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3nrr h LEU 359 Cb 0.56 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3nrr h LEU 359 CO 0.03 0.59 0.30 0.00 -0.34 0.00 0.00 178.44 179.02 3nrr h ALA 360 N 0.94 0.91 -0.36 1.25 0.00 -1.75 -1.60 119.26 118.64 3nrr h ALA 360 Ca 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3nrr h ALA 360 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3nrr h ALA 360 CO -0.00 0.51 0.04 1.49 0.00 0.00 0.00 179.25 181.29 3nrr h GLU 361 N 1.00 0.61 -0.32 0.00 4.81 -0.60 -1.80 114.58 118.28 3nrr h GLU 361 Ca 0.24 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 3nrr h GLU 361 Cb 0.18 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3nrr h GLU 361 CO -0.02 0.69 -0.22 0.82 -0.73 0.00 0.00 179.01 179.56 3nrr h ILE 362 N 0.45 1.29 -0.69 2.32 1.08 -0.96 0.16 117.51 121.16 3nrr h ILE 362 Ca 0.11 -1.35 0.03 0.00 -0.39 0.00 0.00 64.86 63.25 3nrr h ILE 362 Cb 0.39 1.46 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 3nrr h ILE 362 CO 0.01 0.44 0.44 0.40 -0.69 0.00 0.00 178.15 178.75 3nrr h ILE 363 N 0.48 1.11 -0.38 -0.67 2.04 -1.30 0.76 117.51 119.55 3nrr h ILE 363 Ca 0.06 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 3nrr h ILE 363 Cb 0.77 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3nrr h ILE 363 CO 0.06 0.16 -0.09 -1.13 0.00 0.00 0.00 178.15 177.15 3nrr h ASN 364 N 0.86 0.63 0.30 1.72 -1.24 -1.08 -2.81 115.58 113.97 3nrr h ASN 364 Ca 0.27 -0.17 -0.15 0.00 0.71 0.00 0.00 56.30 56.97 3nrr h ASN 364 Cb -0.01 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 3nrr h ASN 364 CO -0.10 0.76 -0.60 -0.09 -1.29 0.00 0.00 177.43 176.12 3nrr h ARG 365 N 0.60 0.30 -0.94 6.67 2.43 -0.25 -1.30 114.38 121.89 3nrr h ARG 365 Ca 0.11 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3nrr h ARG 365 Cb 0.51 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 3nrr h ARG 365 CO 0.03 0.81 0.61 0.82 -1.51 0.00 0.00 179.97 180.73 3nrr h ILE 366 N 0.22 1.14 -0.20 1.20 2.04 -0.63 0.45 117.51 121.73 3nrr h ILE 366 Ca -0.00 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 3nrr h ILE 366 Cb 1.11 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3nrr h ILE 366 CO 0.10 0.21 -0.14 0.11 0.00 0.00 0.00 178.15 178.42 3nrr h LYS 367 N 1.15 0.45 0.00 2.37 1.57 -1.21 -3.22 116.57 117.69 3nrr h LYS 367 Ca 0.38 -0.22 -0.25 0.00 -1.87 0.00 0.00 60.65 58.69 3nrr h LYS 367 Cb 0.05 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3nrr h LYS 367 CO -0.12 0.77 -1.86 0.25 -0.57 0.00 0.00 179.45 177.91 3nrr n THR 368 N -4.50 1.24 -3.05 -0.16 -2.24 -0.54 -4.64 114.28 100.39 3nrr n THR 368 Ca -0.05 -0.75 -0.18 0.00 -2.27 0.00 0.00 64.05 60.80 3nrr n THR 368 Cb 0.36 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 3nrr n THR 368 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3nrr n ASN 369 N -2.82 -0.67 0.29 3.42 5.15 0.16 -5.00 115.26 115.78 3nrr n ASN 369 Ca -0.18 -2.97 0.15 0.00 -0.60 0.00 0.00 54.58 50.98 3nrr n ASN 369 Cb 0.97 0.17 0.89 0.00 -0.53 0.00 0.00 39.78 41.27 3nrr n ASN 369 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3nrr h PRO 370 N 3.77 0.00 -0.02 1.20 0.13 -1.55 -1.78 132.00 133.74 3nrr h PRO 370 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3nrr h PRO 370 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3nrr h PRO 370 CO 0.41 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.31 3nrr n ASN 371 N -3.69 0.88 -4.65 1.44 3.02 -1.26 -4.21 115.26 106.79 3nrr n ASN 371 Ca -0.03 -1.32 -0.40 0.00 -0.03 0.00 0.00 54.58 52.81 3nrr n ASN 371 Cb 0.13 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.32 3nrr n ASN 371 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3nrr n ASP 372 N -0.30 1.57 -1.02 6.41 2.03 -0.67 -4.94 116.55 119.63 3nrr n ASP 372 Ca 0.21 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.50 3nrr n ASP 372 Cb 0.25 -1.42 0.21 0.00 -0.72 0.00 0.00 41.12 39.44 3nrr n ASP 372 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3nrr n ARG 373 N -0.29 2.12 -1.28 -0.67 1.74 -1.26 -4.51 116.66 112.50 3nrr n ARG 373 Ca 0.10 -3.05 0.01 0.00 -0.77 0.00 0.00 57.85 54.14 3nrr n ARG 373 Cb 0.42 -1.81 0.11 0.00 -1.02 0.00 0.00 32.46 30.16 3nrr n ARG 373 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3nrr n ARG 374 N -0.96 1.38 -1.90 5.56 3.00 -1.26 -4.97 116.66 117.50 3nrr n ARG 374 Ca 0.29 -3.03 -0.42 0.00 -0.01 0.00 0.00 57.85 54.68 3nrr n ARG 374 Cb 0.97 -1.20 -0.00 0.00 0.00 0.00 0.00 32.46 32.23 3nrr n ARG 374 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3nrr n LEU 375 N -0.51 7.09 -4.24 0.55 4.77 -1.26 -4.90 117.00 118.51 3nrr n LEU 375 Ca 0.17 -4.38 -0.30 0.00 -0.03 0.00 0.00 56.01 51.47 3nrr n LEU 375 Cb 0.88 -1.57 -0.16 0.00 -2.33 0.00 0.00 43.42 40.24 3nrr n LEU 375 CO 0.03 1.37 -0.55 -0.63 -1.33 0.00 0.00 177.39 176.29 3nrr s ILE 376 N 1.85 1.87 -0.18 -0.08 1.01 -1.26 -0.53 121.20 123.87 3nrr s ILE 376 Ca 0.47 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 3nrr s ILE 376 Cb 0.13 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 41.03 3nrr s ILE 376 CO -0.06 0.52 -0.13 -0.69 0.00 0.00 0.00 174.94 174.59 3nrr s VAL 377 N -0.20 2.73 -0.16 2.92 1.01 -0.29 -4.94 120.40 121.47 3nrr s VAL 377 Ca -0.01 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3nrr s VAL 377 Cb -0.12 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.08 3nrr s VAL 377 CO 0.02 0.50 -0.18 0.00 0.00 0.00 0.00 175.10 175.44 3nrr n SER 379 N 4.20 1.48 -3.89 0.00 7.64 -0.02 -4.74 113.62 118.30 3nrr n SER 379 Ca -0.20 -1.24 -0.42 0.00 1.01 0.00 0.00 58.87 58.02 3nrr n SER 379 Cb 0.51 0.72 -0.00 0.00 -1.01 0.00 0.00 64.21 64.43 3nrr n SER 379 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 3nrr n TRP 380 N -0.70 3.71 -2.91 1.43 -0.00 -1.15 -4.81 117.44 113.01 3nrr n TRP 380 Ca 0.06 -2.93 -0.43 0.00 -0.00 0.00 0.00 57.50 54.20 3nrr n TRP 380 Cb 0.38 -2.56 -0.04 0.00 -0.00 0.00 0.00 31.31 29.09 3nrr n TRP 380 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3nrr s ASN 381 N 3.44 6.22 0.50 5.87 3.84 -1.26 -4.86 114.94 128.70 3nrr s ASN 381 Ca 0.49 -1.19 0.20 0.00 0.21 0.00 0.00 52.86 52.56 3nrr s ASN 381 Cb 0.12 -2.39 1.27 0.00 -0.55 0.00 0.00 41.25 39.70 3nrr s ASN 381 CO -0.05 -1.34 2.04 0.58 -2.79 0.00 0.00 177.10 175.53 3nrr h VAL 382 N 5.95 0.85 0.00 -5.21 2.07 -2.00 -0.93 116.25 116.98 3nrr h VAL 382 Ca -0.24 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3nrr h VAL 382 Cb 1.07 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3nrr h VAL 382 CO 1.16 0.02 -0.24 0.28 0.02 0.00 0.00 177.57 178.81 3nrr h SER 383 N 0.10 0.00 -0.01 0.57 0.02 -2.01 -3.19 113.55 109.04 3nrr h SER 383 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3nrr h SER 383 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3nrr h SER 383 CO -0.02 0.24 -0.64 0.47 -1.14 0.00 0.00 176.83 175.74 3nrr n ASP 384 N -3.36 1.30 -0.21 3.07 8.00 -0.37 -4.70 116.55 120.28 3nrr n ASP 384 Ca 0.00 -1.15 0.01 0.00 0.71 0.00 0.00 54.79 54.37 3nrr n ASP 384 Cb 0.46 0.76 0.12 0.00 -0.02 0.00 0.00 41.12 42.44 3nrr n ASP 384 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3nrr h LEU 385 N 0.97 -0.01 -2.17 0.64 3.38 -1.49 -0.01 115.31 116.61 3nrr h LEU 385 Ca 0.00 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.15 3nrr h LEU 385 Cb 0.53 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3nrr h LEU 385 CO 0.00 -0.00 0.27 0.11 0.09 0.00 0.00 178.44 178.90 3nrr h LYS 386 N 0.25 0.00 -0.00 1.13 1.57 -1.84 -1.91 116.57 115.77 3nrr h LYS 386 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3nrr h LYS 386 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3nrr h LYS 386 CO -0.43 0.00 -0.52 1.63 -0.57 0.00 0.00 179.45 179.56 3nrr n LYS 387 N -3.71 0.06 -3.41 3.15 5.02 -0.02 -4.93 118.16 114.32 3nrr n LYS 387 Ca 0.03 -0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 55.91 3nrr n LYS 387 Cb 0.40 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 3nrr n LYS 387 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3nrr s MET 388 N -2.96 4.00 0.37 1.97 -1.94 -0.72 -4.30 119.30 115.71 3nrr s MET 388 Ca 0.12 0.50 0.09 0.00 -1.71 0.00 0.00 55.69 54.69 3nrr s MET 388 Cb 0.17 -3.12 0.84 0.00 2.01 0.00 0.00 34.83 34.73 3nrr s MET 388 CO 0.70 0.60 1.89 0.00 -0.01 0.00 0.00 175.02 178.21 3nrr h ALA 389 N 4.23 1.85 -2.50 3.03 0.00 -1.59 -3.41 119.26 120.87 3nrr h ALA 389 Ca -0.50 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 3nrr h ALA 389 Cb 1.21 -0.13 -0.24 0.00 0.00 0.00 0.00 17.79 18.63 3nrr h ALA 389 CO 0.64 -0.06 -0.18 -1.17 0.00 0.00 0.00 179.25 178.48 3nrr s LEU 390 N -9.72 -0.13 0.66 0.00 2.96 -1.26 -5.08 118.68 106.10 3nrr s LEU 390 Ca -0.10 1.03 -0.15 0.00 -0.22 0.00 0.00 54.13 54.69 3nrr s LEU 390 Cb 0.21 1.65 -0.00 0.00 0.50 0.00 0.00 46.19 48.55 3nrr s LEU 390 CO 0.78 -0.19 1.11 -2.84 -1.32 0.00 0.00 176.35 173.89 3nrr s PRO 391 N 0.94 2.81 0.24 0.98 0.02 -1.26 -4.92 135.00 133.82 3nrr s PRO 391 Ca -0.06 1.38 -0.30 0.00 0.02 0.00 0.00 61.00 62.05 3nrr s PRO 391 Cb -0.06 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.41 3nrr s PRO 391 CO -0.08 -1.24 1.39 -1.25 -0.33 0.00 0.00 177.00 175.50 3nrr s PRO 392 N -4.10 4.31 -0.03 5.54 0.04 -1.26 -4.92 135.00 134.58 3nrr s PRO 392 Ca 0.67 2.22 -0.21 0.00 0.04 0.00 0.00 61.00 63.72 3nrr s PRO 392 Cb -0.20 -3.13 -0.29 0.00 0.04 0.00 0.00 34.50 30.91 3nrr s PRO 392 CO 0.41 -0.36 0.95 0.00 0.04 0.00 0.00 177.00 178.04 3nrr s HIS 394 N -2.63 3.10 0.07 0.00 0.00 -1.26 -0.36 115.29 114.21 3nrr s HIS 394 Ca -0.13 -1.18 -0.08 0.00 -3.00 0.00 0.00 55.06 50.67 3nrr s HIS 394 Cb 0.01 -4.10 -0.27 0.00 -4.00 0.00 0.00 32.58 24.22 3nrr s HIS 394 CO 0.83 -1.36 1.14 0.00 -1.00 0.00 0.00 174.74 174.34 3nrr s PHE 396 N -2.78 -0.69 0.00 0.00 2.19 -1.25 -0.84 117.98 114.61 3nrr s PHE 396 Ca -0.06 1.61 -0.13 0.00 0.33 0.00 0.00 56.93 58.68 3nrr s PHE 396 Cb 0.07 0.27 0.02 0.00 -1.31 0.00 0.00 43.02 42.06 3nrr s PHE 396 CO 0.90 -0.39 0.28 -0.59 1.83 0.00 0.00 175.22 177.25 3nrr s PHE 397 N 0.04 -0.12 -0.02 10.12 -0.71 -0.54 -1.41 117.98 125.34 3nrr s PHE 397 Ca -0.02 0.13 0.00 0.00 -1.04 0.00 0.00 56.93 56.00 3nrr s PHE 397 Cb -0.04 0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.86 3nrr s PHE 397 CO 0.03 -0.40 0.01 -1.14 -1.34 0.00 0.00 175.22 172.37 3nrr s GLN 398 N -1.61 0.13 0.48 1.99 0.74 0.24 -1.14 119.66 120.48 3nrr s GLN 398 Ca -0.12 0.07 -0.00 0.00 0.05 0.00 0.00 55.36 55.37 3nrr s GLN 398 Cb -0.05 -0.28 0.00 0.00 1.10 0.00 0.00 33.01 33.78 3nrr s GLN 398 CO 0.02 -0.09 0.70 -0.06 -0.55 0.00 0.00 175.29 175.31 3nrr s PHE 399 N 0.71 3.18 -0.18 1.67 0.08 0.30 -0.44 117.98 123.30 3nrr s PHE 399 Ca -0.06 0.24 -0.16 0.00 0.12 0.00 0.00 56.93 57.07 3nrr s PHE 399 Cb -0.09 -2.41 0.05 0.00 -0.57 0.00 0.00 43.02 40.00 3nrr s PHE 399 CO -0.02 -0.47 0.47 -0.47 -0.10 0.00 0.00 175.22 174.64 3nrr s TYR 400 N -2.62 -0.55 -0.12 0.36 5.04 -0.58 -4.56 117.35 114.32 3nrr s TYR 400 Ca 0.50 1.30 0.02 0.00 -2.44 0.00 0.00 57.07 56.45 3nrr s TYR 400 Cb -0.10 0.20 0.01 0.00 0.35 0.00 0.00 41.96 42.42 3nrr s TYR 400 CO 0.39 -0.27 -0.19 0.08 -1.34 0.00 0.00 175.55 174.22 3nrr s VAL 401 N 0.42 1.76 -0.04 3.14 1.01 -1.26 -0.62 120.40 124.81 3nrr s VAL 401 Ca -0.01 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3nrr s VAL 401 Cb -0.04 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.79 3nrr s VAL 401 CO -0.01 0.49 0.25 -0.94 0.00 0.00 0.00 175.10 174.89 3nrr s SER 402 N 0.81 -0.17 -1.66 3.32 1.04 -0.82 -4.83 113.70 111.39 3nrr s SER 402 Ca -0.09 0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.35 3nrr s SER 402 Cb -0.16 0.37 0.13 0.00 0.10 0.00 0.00 66.02 66.47 3nrr s SER 402 CO 0.00 -0.31 0.72 0.47 0.98 0.00 0.00 173.24 175.09 3nrr n ASP 403 N 1.86 -2.78 -0.91 7.02 8.00 -1.26 -1.32 116.55 127.16 3nrr n ASP 403 Ca -0.19 -1.02 -0.11 0.00 0.71 0.00 0.00 54.79 54.18 3nrr n ASP 403 Cb 0.57 -2.75 -0.04 0.00 -0.02 0.00 0.00 41.12 38.87 3nrr n ASP 403 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3nrr n ASN 404 N -2.70 -4.26 -4.29 -2.24 5.15 -1.26 -4.96 115.26 100.70 3nrr n ASN 404 Ca 0.01 0.24 -0.30 0.00 -0.60 0.00 0.00 54.58 53.93 3nrr n ASN 404 Cb 0.52 -2.84 -0.16 0.00 -0.53 0.00 0.00 39.78 36.77 3nrr n ASN 404 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3nrr s LYS 405 N -3.16 2.04 -0.21 1.20 1.02 -0.44 -0.36 119.74 119.84 3nrr s LYS 405 Ca 0.00 -0.89 -0.13 0.00 0.02 0.00 0.00 55.97 54.97 3nrr s LYS 405 Cb 0.00 -1.96 -0.05 0.00 -0.52 0.00 0.00 37.83 35.30 3nrr s LYS 405 CO 0.00 0.54 0.27 -1.17 -0.92 0.00 0.00 175.35 174.06 3nrr s LEU 406 N -0.58 4.16 0.35 3.17 2.96 -0.16 -1.95 118.68 126.63 3nrr s LEU 406 Ca 0.09 0.33 0.08 0.00 -0.22 0.00 0.00 54.13 54.42 3nrr s LEU 406 Cb -0.10 -2.30 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 3nrr s LEU 406 CO -0.01 0.03 0.10 -0.44 -1.32 0.00 0.00 176.35 174.71 3nrr s SER 407 N 0.91 4.48 -0.09 3.68 0.01 0.21 -0.21 113.70 122.69 3nrr s SER 407 Ca 0.13 -0.88 -0.06 0.00 1.31 0.00 0.00 55.95 56.45 3nrr s SER 407 Cb -0.14 -0.64 0.03 0.00 0.21 0.00 0.00 66.02 65.49 3nrr s SER 407 CO 0.05 -0.30 0.22 0.00 0.41 0.00 0.00 173.24 173.62 3nrr s MET 409 N 0.58 2.67 -0.02 0.00 -2.45 0.42 -0.27 119.30 120.24 3nrr s MET 409 Ca -0.04 -0.67 0.03 0.00 -1.25 0.00 0.00 55.69 53.77 3nrr s MET 409 Cb -0.05 -2.45 -0.00 0.00 1.25 0.00 0.00 34.83 33.57 3nrr s MET 409 CO -0.03 0.57 -0.11 1.41 1.05 0.00 0.00 175.02 177.91 3nrr s MET 410 N -0.59 0.97 -0.32 4.11 1.75 -0.18 -0.59 119.30 124.44 3nrr s MET 410 Ca 0.09 -0.38 -0.13 0.00 -1.25 0.00 0.00 55.69 54.01 3nrr s MET 410 Cb -0.11 -0.92 -0.02 0.00 2.84 0.00 0.00 34.83 36.61 3nrr s MET 410 CO 0.01 0.20 0.28 -1.58 -0.65 0.00 0.00 175.02 173.29 3nrr s HIS 411 N -0.11 3.22 -0.34 4.11 2.46 -0.50 -1.11 115.29 123.03 3nrr s HIS 411 Ca 0.02 -0.04 -0.07 0.00 0.47 0.00 0.00 55.06 55.44 3nrr s HIS 411 Cb -0.06 -2.53 0.03 0.00 -0.13 0.00 0.00 32.58 29.89 3nrr s HIS 411 CO -0.00 -0.34 0.12 -1.14 -2.47 0.00 0.00 174.74 170.91 3nrr s GLN 412 N 1.85 2.71 0.41 2.88 0.74 -0.12 -1.47 119.66 126.67 3nrr s GLN 412 Ca 0.09 -1.12 0.19 0.00 0.05 0.00 0.00 55.36 54.56 3nrr s GLN 412 Cb -0.17 -3.49 0.89 0.00 1.10 0.00 0.00 33.01 31.35 3nrr s GLN 412 CO 0.11 -0.64 1.86 0.07 -0.55 0.00 0.00 175.29 176.13 3nrr h ARG 413 N 8.25 0.00 -2.64 1.67 0.11 -1.00 -1.40 114.38 119.38 3nrr h ARG 413 Ca -0.25 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.70 3nrr h ARG 413 Cb 1.09 0.00 -0.28 0.00 1.11 0.00 0.00 29.97 31.89 3nrr h ARG 413 CO 0.61 0.31 -0.39 0.45 0.10 0.00 0.00 179.97 181.05 3nrr s SER 414 N -6.55 -0.19 -0.31 0.08 0.15 -1.25 -2.24 113.70 103.40 3nrr s SER 414 Ca -0.02 0.86 -0.01 0.00 0.70 0.00 0.00 55.95 57.49 3nrr s SER 414 Cb 0.13 1.03 0.10 0.00 -1.71 0.00 0.00 66.02 65.57 3nrr s SER 414 CO 0.67 -0.22 0.10 0.00 1.20 0.00 0.00 173.24 174.99 3nrr s ASP 416 N 1.60 6.16 0.41 0.00 -1.08 -1.26 -0.99 116.67 121.50 3nrr s ASP 416 Ca 0.10 -0.47 0.15 0.00 -0.52 0.00 0.00 52.55 51.80 3nrr s ASP 416 Cb -0.17 -2.56 0.87 0.00 -1.46 0.00 0.00 42.92 39.60 3nrr s ASP 416 CO -0.25 -1.84 1.90 -0.07 0.52 0.00 0.00 175.17 175.44 3nrr h LEU 417 N 13.06 0.00 -0.17 -1.34 3.38 -1.48 -0.74 115.31 128.02 3nrr h LEU 417 Ca -0.26 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.48 3nrr h LEU 417 Cb 1.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.81 3nrr h LEU 417 CO 1.28 0.29 -0.80 1.23 0.09 0.00 0.00 178.44 180.53 3nrr h GLY 418 N 0.92 0.81 0.00 0.83 0.00 -1.90 -3.41 103.07 100.33 3nrr h GLY 418 Ca -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 47.33 46.15 3nrr h GLY 418 CO 0.04 1.05 -0.15 -0.10 0.00 0.00 0.00 176.54 177.37 3nrr n LEU 419 N -3.91 0.69 -0.06 3.11 7.94 -1.05 -4.83 117.00 118.89 3nrr n LEU 419 Ca -0.07 0.10 -0.16 0.00 -1.11 0.00 0.00 56.01 54.77 3nrr n LEU 419 Cb 0.76 -0.31 -0.06 0.00 0.53 0.00 0.00 43.42 44.34 3nrr n LEU 419 CO 0.53 -0.55 0.40 1.23 -1.11 0.00 0.00 177.39 177.88 3nrr h GLY 420 N -0.15 0.83 1.00 -3.96 0.00 -1.61 -3.36 103.07 95.82 3nrr h GLY 420 Ca 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 47.33 46.29 3nrr h GLY 420 CO 0.00 0.93 0.42 -2.08 0.00 0.00 0.00 176.54 175.81 3nrr h VAL 421 N 0.49 1.19 -0.57 4.60 2.07 -1.39 -0.70 116.25 121.94 3nrr h VAL 421 Ca -0.01 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.19 3nrr h VAL 421 Cb 1.17 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3nrr h VAL 421 CO 0.12 0.19 0.38 -0.65 0.02 0.00 0.00 177.57 177.63 3nrr h PRO 422 N 0.92 0.47 -0.19 1.57 0.11 -1.80 -0.66 132.00 132.41 3nrr h PRO 422 Ca 0.24 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.20 3nrr h PRO 422 Cb -0.05 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3nrr h PRO 422 CO -0.05 0.31 -0.35 0.74 -0.21 0.00 0.00 178.00 178.44 3nrr h PHE 423 N 0.48 0.73 -0.71 0.65 -1.00 -1.39 -3.13 116.94 112.56 3nrr h PHE 423 Ca 0.25 -0.26 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 3nrr h PHE 423 Cb 0.36 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.75 3nrr h PHE 423 CO -0.00 1.00 0.23 -0.91 -1.61 0.00 0.00 178.31 177.01 3nrr h ASN 424 N 0.25 1.02 -0.33 2.17 -0.26 0.22 0.16 115.58 118.81 3nrr h ASN 424 Ca 0.01 -0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.54 3nrr h ASN 424 Cb 0.94 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.92 3nrr h ASN 424 CO 0.08 0.95 0.11 0.40 -1.06 0.00 0.00 177.43 177.91 3nrr h ILE 425 N 1.06 1.20 -0.41 2.81 2.04 -1.29 -2.38 117.51 120.53 3nrr h ILE 425 Ca 0.23 -0.63 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 3nrr h ILE 425 Cb 0.29 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3nrr h ILE 425 CO -0.01 0.22 -0.04 0.00 0.00 0.00 0.00 178.15 178.32 3nrr h ALA 426 N 0.95 0.56 -0.01 1.87 0.00 -1.43 -2.71 119.26 118.50 3nrr h ALA 426 Ca 0.11 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3nrr h ALA 426 Cb 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3nrr h ALA 426 CO -0.01 0.39 -0.22 1.03 0.00 0.00 0.00 179.25 180.44 3nrr h SER 427 N 0.59 -0.64 0.67 0.00 0.87 -0.53 -0.87 113.55 113.63 3nrr h SER 427 Ca 0.11 0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.67 3nrr h SER 427 Cb 0.54 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 3nrr h SER 427 CO 0.03 -0.28 -0.42 1.88 -0.53 0.00 0.00 176.83 177.50 3nrr h TYR 428 N -0.34 0.00 -0.37 2.24 -1.99 -1.51 -1.21 116.97 113.80 3nrr h TYR 428 Ca 0.06 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.76 3nrr h TYR 428 Cb 0.42 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.14 3nrr h TYR 428 CO -0.26 0.42 0.11 0.77 -0.00 0.00 0.00 178.16 179.20 3nrr h SER 429 N 0.00 0.54 0.03 3.88 0.02 -1.13 -0.58 113.55 116.30 3nrr h SER 429 Ca -0.00 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3nrr h SER 429 Cb 0.87 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3nrr h SER 429 CO 0.05 0.61 -0.01 0.40 -1.14 0.00 0.00 176.83 176.74 3nrr h ILE 430 N 0.44 0.97 -0.62 3.27 2.04 -0.80 -2.07 117.51 120.75 3nrr h ILE 430 Ca 0.12 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.08 3nrr h ILE 430 Cb 0.27 0.97 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 3nrr h ILE 430 CO -0.00 0.00 0.22 0.25 0.00 0.00 0.00 178.15 178.62 3nrr h LEU 431 N -0.04 0.20 -0.54 1.44 5.85 -1.13 0.29 115.31 121.39 3nrr h LEU 431 Ca -0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3nrr h LEU 431 Cb 0.03 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3nrr h LEU 431 CO 0.00 0.12 0.24 0.74 -0.34 0.00 0.00 178.44 179.20 3nrr h THR 432 N 0.40 1.21 -0.75 1.05 2.02 -1.03 0.19 112.91 116.00 3nrr h THR 432 Ca 0.32 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 3nrr h THR 432 Cb 0.42 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3nrr h THR 432 CO -0.33 0.25 0.31 0.00 0.37 0.00 0.00 175.52 176.11 3nrr h ALA 433 N 1.08 0.98 -0.33 6.16 0.00 -0.63 0.02 119.26 126.54 3nrr h ALA 433 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3nrr h ALA 433 Cb 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3nrr h ALA 433 CO -0.02 0.60 0.19 0.52 0.00 0.00 0.00 179.25 180.54 3nrr h MET 434 N 1.08 0.45 -0.58 0.00 2.07 0.26 -1.04 114.93 117.18 3nrr h MET 434 Ca 0.25 -0.04 -0.09 0.00 -2.07 0.00 0.00 59.70 57.75 3nrr h MET 434 Cb 0.20 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.82 3nrr h MET 434 CO -0.02 0.35 0.02 0.28 1.07 0.00 0.00 176.91 178.61 3nrr h VAL 435 N 0.42 1.26 -0.46 -2.22 2.07 -0.81 -1.80 116.25 114.70 3nrr h VAL 435 Ca 0.12 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.54 3nrr h VAL 435 Cb 0.03 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3nrr h VAL 435 CO -0.02 0.40 0.30 0.00 0.02 0.00 0.00 177.57 178.27 3nrr h ALA 436 N 0.98 0.58 0.07 1.67 0.00 -0.82 -1.35 119.26 120.39 3nrr h ALA 436 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3nrr h ALA 436 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3nrr h ALA 436 CO 0.03 0.03 -0.06 0.37 0.00 0.00 0.00 179.25 179.61 3nrr h GLN 437 N 0.62 -0.14 0.00 0.00 4.15 -0.90 0.26 115.11 119.11 3nrr h GLN 437 Ca 0.17 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3nrr h GLN 437 Cb -0.07 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.65 3nrr h GLN 437 CO -0.04 -0.09 0.00 -0.39 -1.93 0.00 0.00 178.83 176.38 3nrr h VAL 438 N -0.14 0.00 -0.15 2.39 -1.51 -1.16 -2.03 116.25 113.65 3nrr h VAL 438 Ca 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3nrr h VAL 438 Cb 0.14 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 3nrr h VAL 438 CO -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.33 3nrr n GLY 440 N 1.32 0.25 3.79 0.00 0.00 -0.14 -4.93 105.19 105.48 3nrr n GLY 440 Ca 0.17 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 3nrr n GLY 440 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nrr s LEU 441 N -3.28 3.73 0.00 0.99 1.43 0.74 -5.02 118.68 117.27 3nrr s LEU 441 Ca 0.00 -0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 3nrr s LEU 441 Cb 0.00 -2.31 0.23 0.00 0.03 0.00 0.00 46.19 44.14 3nrr s LEU 441 CO 0.00 0.03 1.36 0.61 0.23 0.00 0.00 176.35 178.58 3nrr n GLY 442 N -0.64 -1.52 3.61 -3.19 0.00 0.52 -4.30 105.19 99.68 3nrr n GLY 442 Ca -0.08 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 3nrr n GLY 442 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nrr s LEU 443 N 0.00 3.63 0.00 0.99 1.43 -1.26 -0.98 118.68 122.49 3nrr s LEU 443 Ca 0.77 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3nrr s LEU 443 Cb -0.02 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.31 3nrr s LEU 443 CO 0.54 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.95 3nrr n GLY 444 N 3.22 0.46 3.29 -3.19 0.00 0.71 -4.08 105.19 105.60 3nrr n GLY 444 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 3nrr n GLY 444 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nrr s GLU 445 N 3.19 1.35 -0.27 1.61 2.02 -1.25 -1.13 118.70 124.21 3nrr s GLU 445 Ca 0.00 -1.09 -0.10 0.00 0.02 0.00 0.00 54.97 53.80 3nrr s GLU 445 Cb 0.00 -1.57 -0.05 0.00 0.10 0.00 0.00 34.13 32.61 3nrr s GLU 445 CO 0.00 0.39 0.16 0.12 0.02 0.00 0.00 175.26 175.95 3nrr s PHE 446 N -0.96 3.20 -0.22 1.61 5.36 -0.06 -1.17 117.98 125.75 3nrr s PHE 446 Ca 0.08 0.02 -0.06 0.00 -0.96 0.00 0.00 56.93 56.02 3nrr s PHE 446 Cb -0.09 -2.34 -0.02 0.00 -0.34 0.00 0.00 43.02 40.23 3nrr s PHE 446 CO 0.03 -0.17 0.02 0.08 -1.46 0.00 0.00 175.22 173.71 3nrr s VAL 447 N 1.64 3.95 -0.31 3.12 1.01 0.63 -0.60 120.40 129.84 3nrr s VAL 447 Ca 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 3nrr s VAL 447 Cb -0.16 -2.81 0.04 0.00 0.00 0.00 0.00 36.38 33.46 3nrr s VAL 447 CO 0.09 0.40 0.03 -2.28 0.00 0.00 0.00 175.10 173.34 3nrr s HIS 448 N 1.33 3.24 -0.22 5.22 2.46 -0.08 -1.01 115.29 126.23 3nrr s HIS 448 Ca 0.04 -1.67 -0.14 0.00 0.47 0.00 0.00 55.06 53.76 3nrr s HIS 448 Cb -0.15 -2.16 -0.04 0.00 -0.13 0.00 0.00 32.58 30.10 3nrr s HIS 448 CO 0.01 -0.77 0.33 -0.80 -2.47 0.00 0.00 174.74 171.04 3nrr s ASN 449 N 1.32 6.32 -0.24 9.88 0.01 -0.27 -1.38 114.94 130.58 3nrr s ASN 449 Ca -0.03 0.37 -0.09 0.00 -0.71 0.00 0.00 52.86 52.39 3nrr s ASN 449 Cb -0.19 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 3nrr s ASN 449 CO 0.00 -0.05 0.11 -0.76 -1.51 0.00 0.00 177.10 174.89 3nrr s LEU 450 N 1.34 3.80 0.00 0.60 1.43 -0.58 -0.95 118.68 124.33 3nrr s LEU 450 Ca 0.15 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3nrr s LEU 450 Cb -0.15 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.06 3nrr s LEU 450 CO 0.07 0.04 0.00 0.00 0.23 0.00 0.00 176.35 176.69 3nrr n ALA 451 N 4.46 0.00 -2.57 4.21 0.00 -0.53 -1.18 120.51 124.89 3nrr n ALA 451 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3nrr n ALA 451 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3nrr n ALA 451 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3nrr s ASP 452 N -1.00 6.22 -0.19 0.00 -1.08 -0.95 -1.82 116.67 117.85 3nrr s ASP 452 Ca 0.00 -0.66 -0.09 0.00 -0.52 0.00 0.00 52.55 51.28 3nrr s ASP 452 Cb 0.00 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.86 3nrr s ASP 452 CO 0.00 -1.76 0.10 0.00 0.52 0.00 0.00 175.17 174.03 3nrr s ALA 453 N 5.48 3.56 0.10 3.66 0.00 -0.49 -0.95 121.76 133.13 3nrr s ALA 453 Ca 0.36 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.46 3nrr s ALA 453 Cb -0.07 -2.06 0.02 0.00 0.00 0.00 0.00 23.12 21.02 3nrr s ALA 453 CO 0.10 0.17 0.34 -3.38 0.00 0.00 0.00 175.76 173.00 3nrr s HIS 454 N 0.35 -0.12 -0.16 0.00 -3.43 -0.16 -1.50 115.29 110.27 3nrr s HIS 454 Ca 0.06 -0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 3nrr s HIS 454 Cb -0.12 0.16 0.03 0.00 -1.43 0.00 0.00 32.58 31.23 3nrr s HIS 454 CO -0.01 -0.62 -0.09 0.42 -2.00 0.00 0.00 174.74 172.43 3nrr s ILE 455 N -3.49 1.35 0.55 -5.38 1.01 0.05 -1.03 121.20 114.26 3nrr s ILE 455 Ca 0.01 -0.66 -0.21 0.00 0.00 0.00 0.00 60.65 59.80 3nrr s ILE 455 Cb 0.02 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 3nrr s ILE 455 CO -0.09 0.28 1.28 -0.31 0.00 0.00 0.00 174.94 176.09 3nrr s TYR 456 N 1.55 2.41 0.50 3.97 2.02 -1.26 -1.19 117.35 125.34 3nrr s TYR 456 Ca 0.02 1.45 0.22 0.00 -0.37 0.00 0.00 57.07 58.39 3nrr s TYR 456 Cb -0.14 -3.64 1.38 0.00 -0.40 0.00 0.00 41.96 39.16 3nrr s TYR 456 CO -0.09 -2.48 2.12 -0.39 -1.57 0.00 0.00 175.55 173.14 3nrr h VAL 457 N 1.34 0.82 -0.01 0.71 -1.51 -1.54 -1.24 116.25 114.82 3nrr h VAL 457 Ca -0.50 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 3nrr h VAL 457 Cb 1.29 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 3nrr h VAL 457 CO 0.57 0.08 0.00 -0.90 -1.23 0.00 0.00 177.57 176.09 3nrr n ASP 458 N -4.10 0.24 -0.62 4.19 5.75 -1.26 -3.04 116.55 117.72 3nrr n ASP 458 Ca -0.03 -1.13 0.09 0.00 -0.01 0.00 0.00 54.79 53.71 3nrr n ASP 458 Cb 0.16 -0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.30 3nrr n ASP 458 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3nrr n HIS 459 N -0.78 0.00 -0.18 2.11 8.25 -0.47 -4.69 115.22 119.46 3nrr n HIS 459 Ca 0.22 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.64 3nrr n HIS 459 Cb 0.14 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.31 3nrr n HIS 459 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3nrr h VAL 460 N 3.02 0.98 -0.52 1.59 2.07 -1.60 -1.08 116.25 120.71 3nrr h VAL 460 Ca 0.00 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3nrr h VAL 460 Cb 0.69 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3nrr h VAL 460 CO 0.00 0.10 0.21 0.44 0.02 0.00 0.00 177.57 178.34 3nrr h ASP 461 N 0.54 0.71 -0.34 0.57 3.32 -1.85 -1.26 116.42 118.12 3nrr h ASP 461 Ca 0.23 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.14 3nrr h ASP 461 Cb 0.12 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3nrr h ASP 461 CO -0.15 0.69 0.15 0.00 -1.72 0.00 0.00 179.24 178.21 3nrr h ALA 462 N 1.06 0.40 -0.42 3.45 0.00 -1.79 -1.71 119.26 120.24 3nrr h ALA 462 Ca 0.17 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3nrr h ALA 462 Cb 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3nrr h ALA 462 CO -0.01 -0.23 -0.13 0.28 0.00 0.00 0.00 179.25 179.15 3nrr h VAL 463 N 0.32 1.26 -0.66 0.00 2.07 -1.08 -0.53 116.25 117.63 3nrr h VAL 463 Ca 0.14 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.50 3nrr h VAL 463 Cb 0.07 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3nrr h VAL 463 CO -0.11 0.41 0.40 0.74 0.02 0.00 0.00 177.57 179.03 3nrr h THR 464 N 0.70 1.06 -0.35 2.57 2.02 -0.97 -0.80 112.91 117.14 3nrr h THR 464 Ca 0.11 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3nrr h THR 464 Cb 0.62 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3nrr h THR 464 CO 0.04 0.14 0.11 0.74 0.37 0.00 0.00 175.52 176.92 3nrr h THR 465 N 0.78 1.21 -0.55 3.16 2.02 -1.03 -3.24 112.91 115.25 3nrr h THR 465 Ca 0.27 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 3nrr h THR 465 Cb 0.06 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3nrr h THR 465 CO -0.12 0.23 0.18 -0.61 0.37 0.00 0.00 175.52 175.57 3nrr h GLN 466 N 0.42 0.85 0.00 6.66 4.15 -0.63 -3.02 115.11 123.54 3nrr h GLN 466 Ca 0.11 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3nrr h GLN 466 Cb 0.25 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3nrr h GLN 466 CO -0.00 0.77 0.00 0.44 -1.93 0.00 0.00 178.83 178.11 3nrr n ILE 467 N -4.45 0.66 0.88 2.39 -5.35 -0.35 -1.71 119.36 111.42 3nrr n ILE 467 Ca 0.02 0.07 0.13 0.00 -0.27 0.00 0.00 62.75 62.70 3nrr n ILE 467 Cb 0.20 -0.86 0.37 0.00 -1.74 0.00 0.00 39.64 37.61 3nrr n ILE 467 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3nrr n ALA 468 N -1.66 2.90 -2.26 -1.28 0.00 -1.14 -0.79 120.51 116.28 3nrr n ALA 468 Ca 0.04 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 3nrr n ALA 468 Cb 0.28 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 3nrr n ALA 468 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3nrr s ARG 469 N -3.04 4.65 -0.13 0.00 0.52 -0.69 -4.69 118.95 115.56 3nrr s ARG 469 Ca 0.11 1.34 -0.29 0.00 -0.52 0.00 0.00 55.73 56.36 3nrr s ARG 469 Cb 0.17 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 3nrr s ARG 469 CO 0.64 0.26 1.07 0.42 0.02 0.00 0.00 175.30 177.72 3nrr s ILE 470 N -0.13 4.61 0.46 1.52 -1.09 -1.26 -4.86 121.20 120.46 3nrr s ILE 470 Ca 0.44 1.91 -0.25 0.00 -2.23 0.00 0.00 60.65 60.52 3nrr s ILE 470 Cb -0.23 -4.23 -0.08 0.00 -1.58 0.00 0.00 42.46 36.35 3nrr s ILE 470 CO 0.28 -0.05 1.40 -2.84 -1.23 0.00 0.00 174.94 172.50 3nrr s PRO 471 N 2.43 3.62 0.56 2.79 0.02 -1.26 -4.89 135.00 138.28 3nrr s PRO 471 Ca 0.49 2.35 -0.06 0.00 0.02 0.00 0.00 61.00 63.81 3nrr s PRO 471 Cb -0.19 -2.59 -0.00 0.00 0.02 0.00 0.00 34.50 31.73 3nrr s PRO 471 CO 0.16 -0.85 0.87 -1.01 -0.33 0.00 0.00 177.00 175.84 3nrr s HIS 472 N -1.23 3.32 0.43 6.54 3.76 -1.26 -5.04 115.29 121.80 3nrr s HIS 472 Ca 0.62 0.67 -0.25 0.00 -0.15 0.00 0.00 55.06 55.95 3nrr s HIS 472 Cb -0.42 -2.64 -0.09 0.00 1.11 0.00 0.00 32.58 30.54 3nrr s HIS 472 CO 0.54 -0.70 1.28 -2.30 -0.85 0.00 0.00 174.74 172.71 3nrr n PRO 473 N -2.50 1.93 -1.03 8.40 -0.02 -1.26 -4.85 135.00 135.68 3nrr n PRO 473 Ca 0.04 0.69 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 3nrr n PRO 473 Cb 0.57 -2.40 0.13 0.00 -0.02 0.00 0.00 33.50 31.78 3nrr n PRO 473 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3nrr s PHE 474 N -1.20 1.85 0.62 6.00 0.08 -1.26 -4.64 117.98 119.42 3nrr s PHE 474 Ca 0.61 1.70 -0.10 0.00 0.12 0.00 0.00 56.93 59.26 3nrr s PHE 474 Cb -0.50 -3.39 0.14 0.00 -0.57 0.00 0.00 43.02 38.71 3nrr s PHE 474 CO 0.58 -2.69 0.77 -0.35 -0.10 0.00 0.00 175.22 173.43 3nrr n PRO 475 N -3.57 -1.08 -4.26 0.24 -0.04 -1.24 -4.67 135.00 120.38 3nrr n PRO 475 Ca 0.12 -1.20 -0.22 0.00 -0.04 0.00 0.00 63.50 62.17 3nrr n PRO 475 Cb 0.51 -0.85 -0.12 0.00 -0.04 0.00 0.00 33.50 33.00 3nrr n PRO 475 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3nrr s ARG 476 N -4.70 1.06 -0.16 0.54 3.52 -0.86 -0.19 118.95 118.16 3nrr s ARG 476 Ca 0.45 -1.15 -0.06 0.00 -0.13 0.00 0.00 55.73 54.84 3nrr s ARG 476 Cb -0.02 -1.22 -0.04 0.00 -1.56 0.00 0.00 34.95 32.12 3nrr s ARG 476 CO 0.32 0.27 0.05 -1.17 -0.81 0.00 0.00 175.30 173.96 3nrr s LEU 477 N -1.99 3.78 -0.09 -0.88 2.96 -1.26 -0.96 118.68 120.24 3nrr s LEU 477 Ca 0.06 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 3nrr s LEU 477 Cb -0.09 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.68 3nrr s LEU 477 CO 0.04 0.23 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.55 3nrr s ARG 478 N 0.05 2.06 0.01 1.98 3.52 0.78 -5.00 118.95 122.36 3nrr s ARG 478 Ca 0.05 -0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 3nrr s ARG 478 Cb -0.12 -1.73 -0.04 0.00 -1.56 0.00 0.00 34.95 31.50 3nrr s ARG 478 CO 0.01 -0.02 0.13 -0.51 -0.81 0.00 0.00 175.30 174.09 3nrr s LEU 479 N 0.86 4.08 -0.10 -0.88 1.43 -1.26 -1.10 118.68 121.71 3nrr s LEU 479 Ca -0.10 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 3nrr s LEU 479 Cb -0.15 -2.48 -0.08 0.00 0.03 0.00 0.00 46.19 43.50 3nrr s LEU 479 CO 0.01 0.24 2.06 -3.20 0.23 0.00 0.00 176.35 175.70 3nrr n ASN 480 N 0.91 3.62 0.00 2.29 2.85 -0.31 -4.85 115.26 119.77 3nrr n ASN 480 Ca -0.11 0.64 0.08 0.00 -0.11 0.00 0.00 54.58 55.08 3nrr n ASN 480 Cb 0.52 -1.50 0.35 0.00 1.24 0.00 0.00 39.78 40.40 3nrr n ASN 480 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3nrr n PRO 481 N 7.87 0.04 0.18 1.20 -0.04 -1.26 -2.44 135.00 140.55 3nrr n PRO 481 Ca 0.25 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 3nrr n PRO 481 Cb 0.39 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.66 3nrr n PRO 481 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3nrr h ASP 482 N 0.00 0.00 -2.86 3.54 3.32 -2.01 -3.45 116.42 114.97 3nrr h ASP 482 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 3nrr h ASP 482 Cb 0.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3nrr h ASP 482 CO 0.00 0.00 0.93 -0.63 -1.72 0.00 0.00 179.24 177.82 3nrr s ILE 483 N -3.22 4.13 -0.39 0.35 -1.09 -1.02 -4.90 121.20 115.04 3nrr s ILE 483 Ca 0.07 1.37 0.06 0.00 -2.23 0.00 0.00 60.65 59.93 3nrr s ILE 483 Cb 0.08 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 3nrr s ILE 483 CO 0.62 -0.11 0.34 0.54 -1.23 0.00 0.00 174.94 175.10 3nrr n ARG 484 N 6.63 4.14 -4.34 2.79 1.74 -1.26 -4.70 116.66 121.65 3nrr n ARG 484 Ca 0.14 -0.14 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 3nrr n ARG 484 Cb 0.44 -0.85 -0.15 0.00 -1.02 0.00 0.00 32.46 30.88 3nrr n ARG 484 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3nrr s ASN 485 N -1.45 1.08 0.52 0.55 0.01 -1.26 -4.75 114.94 109.64 3nrr s ASN 485 Ca 0.03 -0.17 0.21 0.00 -0.71 0.00 0.00 52.86 52.23 3nrr s ASN 485 Cb 0.05 -0.25 1.38 0.00 0.41 0.00 0.00 41.25 42.85 3nrr s ASN 485 CO 0.24 0.07 2.14 -0.29 -1.51 0.00 0.00 177.10 177.74 3nrr h ILE 486 N 5.28 0.85 0.00 0.60 2.10 -1.93 -1.37 117.51 123.04 3nrr h ILE 486 Ca -0.32 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.41 3nrr h ILE 486 Cb 1.17 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 3nrr h ILE 486 CO 0.49 0.05 0.00 -0.33 -1.08 0.00 0.00 178.15 177.28 3nrr h GLU 487 N 0.00 0.00 0.00 2.19 5.08 -1.96 -3.13 114.58 116.76 3nrr h GLU 487 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3nrr h GLU 487 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3nrr h GLU 487 CO 0.01 0.00 -0.45 -0.25 -1.00 0.00 0.00 179.01 177.32 3nrr n ASP 488 N -2.31 0.46 -4.71 1.42 8.00 -0.52 -4.88 116.55 114.02 3nrr n ASP 488 Ca 0.03 -0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 3nrr n ASP 488 Cb 0.27 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3nrr n ASP 488 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3nrr s PHE 489 N -3.03 2.80 0.41 1.24 0.08 -1.18 -5.02 117.98 113.28 3nrr s PHE 489 Ca 0.11 0.36 0.07 0.00 0.12 0.00 0.00 56.93 57.59 3nrr s PHE 489 Cb 0.17 -4.08 -0.07 0.00 -0.57 0.00 0.00 43.02 38.47 3nrr s PHE 489 CO 0.68 -4.14 0.09 0.95 -0.10 0.00 0.00 175.22 172.69 3nrr s THR 490 N 1.49 2.19 0.47 0.64 -4.23 -1.26 -5.03 115.64 109.90 3nrr s THR 490 Ca 0.74 -1.86 0.13 0.00 -1.18 0.00 0.00 61.69 59.52 3nrr s THR 490 Cb -0.47 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 70.63 3nrr s THR 490 CO 0.32 -0.02 2.08 -0.29 -0.54 0.00 0.00 174.62 176.17 3nrr h ILE 491 N 1.62 1.07 0.00 2.99 2.10 -1.95 -0.37 117.51 122.96 3nrr h ILE 491 Ca -0.43 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.27 3nrr h ILE 491 Cb 1.25 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 3nrr h ILE 491 CO 0.75 0.08 0.00 0.47 -1.08 0.00 0.00 178.15 178.37 3nrr n ASP 492 N -4.46 0.48 -0.29 2.19 8.00 -1.26 -2.29 116.55 118.92 3nrr n ASP 492 Ca -0.01 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.24 3nrr n ASP 492 Cb 0.13 -0.72 0.40 0.00 -0.02 0.00 0.00 41.12 40.90 3nrr n ASP 492 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3nrr n ASP 493 N -2.03 1.12 -4.00 -2.24 8.00 -0.15 -4.75 116.55 112.50 3nrr n ASP 493 Ca 0.02 -1.00 -0.31 0.00 0.71 0.00 0.00 54.79 54.22 3nrr n ASP 493 Cb 0.21 0.11 -0.15 0.00 -0.02 0.00 0.00 41.12 41.28 3nrr n ASP 493 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3nrr s ILE 494 N -2.42 2.06 -0.10 0.53 1.01 -0.97 -1.16 121.20 120.15 3nrr s ILE 494 Ca 0.26 -2.03 0.02 0.00 0.00 0.00 0.00 60.65 58.91 3nrr s ILE 494 Cb 0.19 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 40.24 3nrr s ILE 494 CO 0.49 -0.45 -0.16 -0.69 0.00 0.00 0.00 174.94 174.12 3nrr s VAL 495 N 1.05 1.54 -0.27 2.92 1.01 -0.26 -4.99 120.40 121.40 3nrr s VAL 495 Ca 0.05 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 3nrr s VAL 495 Cb -0.19 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3nrr s VAL 495 CO -0.09 0.45 0.14 -0.69 0.00 0.00 0.00 175.10 174.91 3nrr s VAL 496 N 0.82 4.80 0.03 2.92 1.01 -1.26 -0.15 120.40 128.56 3nrr s VAL 496 Ca -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3nrr s VAL 496 Cb -0.16 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3nrr s VAL 496 CO 0.01 0.25 0.16 -1.61 0.00 0.00 0.00 175.10 173.91 3nrr s GLU 497 N 1.68 3.31 -0.89 2.72 0.41 -0.13 -4.71 118.70 121.09 3nrr s GLU 497 Ca 0.06 -0.43 -0.04 0.00 -0.41 0.00 0.00 54.97 54.15 3nrr s GLU 497 Cb -0.16 -2.99 0.00 0.00 -1.78 0.00 0.00 34.13 29.20 3nrr s GLU 497 CO 0.07 0.64 0.49 -0.25 -0.49 0.00 0.00 175.26 175.71 3nrr n ASP 498 N 0.71 -4.41 -4.58 -0.19 8.00 -1.26 -2.04 116.55 112.78 3nrr n ASP 498 Ca -0.09 -0.22 -0.43 0.00 0.71 0.00 0.00 54.79 54.76 3nrr n ASP 498 Cb 0.52 -3.18 -0.04 0.00 -0.02 0.00 0.00 41.12 38.40 3nrr n ASP 498 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3nrr s TYR 499 N -3.01 3.00 -0.16 1.24 5.04 -1.26 -4.27 117.35 117.92 3nrr s TYR 499 Ca 0.24 0.48 -0.02 0.00 -2.44 0.00 0.00 57.07 55.33 3nrr s TYR 499 Cb -0.11 -3.77 -0.02 0.00 0.35 0.00 0.00 41.96 38.42 3nrr s TYR 499 CO 0.30 -0.96 -0.08 0.08 -1.34 0.00 0.00 175.55 173.54 3nrr s VAL 500 N 3.53 3.33 0.06 3.14 1.01 -1.26 -5.06 120.40 125.15 3nrr s VAL 500 Ca 0.36 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3nrr s VAL 500 Cb -0.11 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3nrr s VAL 500 CO 0.23 0.49 0.03 -0.94 0.00 0.00 0.00 175.10 174.91 3nrr s SER 501 N 0.69 0.38 0.99 3.32 1.04 -1.26 -4.73 113.70 114.14 3nrr s SER 501 Ca -0.04 -0.89 -0.13 0.00 0.48 0.00 0.00 55.95 55.37 3nrr s SER 501 Cb -0.15 0.24 0.19 0.00 0.10 0.00 0.00 66.02 66.39 3nrr s SER 501 CO 0.02 -0.63 1.10 -1.00 0.98 0.00 0.00 173.24 173.72 3nrr s HIS 502 N -3.85 2.15 0.78 5.02 3.76 -0.08 -4.90 115.29 118.17 3nrr s HIS 502 Ca 0.06 0.93 -0.12 0.00 -0.15 0.00 0.00 55.06 55.78 3nrr s HIS 502 Cb 0.07 -3.30 0.07 0.00 1.11 0.00 0.00 32.58 30.52 3nrr s HIS 502 CO -0.10 -2.85 1.12 -2.14 -0.85 0.00 0.00 174.74 169.92 3nrr s PRO 503 N -5.04 2.04 0.61 8.40 0.02 -1.26 -2.12 135.00 137.64 3nrr s PRO 503 Ca 0.65 1.35 -0.18 0.00 0.02 0.00 0.00 61.00 62.85 3nrr s PRO 503 Cb -0.18 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 3nrr s PRO 503 CO 0.57 -1.84 1.18 -1.25 -0.33 0.00 0.00 177.00 175.33 3nrr s PRO 504 N -4.62 2.90 -0.25 5.54 0.04 -1.26 -2.95 135.00 134.41 3nrr s PRO 504 Ca 0.65 1.73 0.03 0.00 0.04 0.00 0.00 61.00 63.44 3nrr s PRO 504 Cb -0.20 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.46 3nrr s PRO 504 CO 0.53 -1.24 -0.12 0.42 0.04 0.00 0.00 177.00 176.63 3nrr s ILE 505 N -1.77 2.15 0.18 0.56 1.01 -1.26 -4.85 121.20 117.22 3nrr s ILE 505 Ca 0.75 -1.54 -0.32 0.00 0.00 0.00 0.00 60.65 59.53 3nrr s ILE 505 Cb -0.28 -2.22 -0.12 0.00 0.01 0.00 0.00 42.46 39.85 3nrr s ILE 505 CO 0.35 0.04 1.71 -2.65 0.00 0.00 0.00 174.94 174.38 3nrr n PRO 506 N 4.46 2.59 -3.67 2.79 -0.02 -1.26 -4.99 135.00 134.90 3nrr n PRO 506 Ca -0.15 0.94 -0.22 0.00 -2.02 0.00 0.00 63.50 62.04 3nrr n PRO 506 Cb 0.43 -2.77 -0.18 0.00 -0.02 0.00 0.00 33.50 30.96 3nrr n PRO 506 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3nrr s MET 507 N 1.40 0.10 0.24 -0.52 -1.94 -1.26 -4.94 119.30 112.37 3nrr s MET 507 Ca 0.78 0.18 -0.30 0.00 -1.71 0.00 0.00 55.69 54.63 3nrr s MET 507 Cb -0.55 -1.01 -0.09 0.00 2.01 0.00 0.00 34.83 35.19 3nrr s MET 507 CO 0.35 -0.43 0.95 0.00 -0.01 0.00 0.00 175.02 175.88 3nrr s ALA 508 N 2.12 3.34 0.07 3.03 0.00 -1.26 -5.02 121.76 124.03 3nrr s ALA 508 Ca 0.04 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 3nrr s ALA 508 Cb -0.13 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 3nrr s ALA 508 CO -0.05 0.18 0.93 1.41 0.00 0.00 0.00 175.76 178.23 3nrr s MET 509 N -1.15 4.62 -0.99 0.00 1.75 -1.26 -4.98 119.30 117.29 3nrr s MET 509 Ca 0.41 1.36 -0.23 0.00 -1.25 0.00 0.00 55.69 55.99 3nrr s MET 509 Cb -0.26 -3.40 0.06 0.00 2.84 0.00 0.00 34.83 34.07 3nrr s MET 509 CO 0.32 0.15 1.39 -1.12 -0.65 0.00 0.00 175.02 175.12 3nrr s SER 510 N 0.28 6.50 0.00 1.11 0.01 -1.26 -5.18 113.70 115.16 3nrr s SER 510 Ca 0.47 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 56.23 3nrr s SER 510 Cb -0.22 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.47 3nrr s SER 510 CO 0.28 -1.46 0.00 0.00 0.41 0.00 0.00 173.24 172.47