#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3u n LEU 9 N 0.00 0.00 -4.52 0.00 7.94 -1.26 -5.06 117.00 114.10 1p3u n LEU 9 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.66 1p3u n LEU 9 Cb 0.00 0.11 -0.11 0.00 0.53 0.00 0.00 43.42 43.95 1p3u n LEU 9 CO 0.00 -0.11 -0.28 0.42 -1.11 0.00 0.00 177.39 176.32 1p3u s THR 10 N -1.25 1.49 0.10 1.96 -4.23 -1.26 -5.04 115.64 107.41 1p3u s THR 10 Ca 0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 1p3u s THR 10 Cb 0.00 -2.85 -0.12 0.00 1.34 0.00 0.00 72.50 70.86 1p3u s THR 10 CO 0.00 0.00 1.73 0.15 -0.54 0.00 0.00 174.62 175.96 1p3u h PHE 11 N 1.96 -0.01 -0.86 3.99 3.57 -1.95 -1.19 116.94 122.45 1p3u h PHE 11 Ca -0.42 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.12 1p3u h PHE 11 Cb 1.24 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 1p3u h PHE 11 CO 0.68 -0.01 0.56 0.00 -2.23 0.00 0.00 178.31 177.31 1p3u h ALA 12 N 1.04 1.46 -0.03 2.41 0.00 -1.92 -0.78 119.26 121.44 1p3u h ALA 12 Ca 0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1p3u h ALA 12 Cb 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1p3u h ALA 12 CO -0.04 0.46 -0.62 0.87 0.00 0.00 0.00 179.25 179.92 1p3u h LYS 13 N 1.07 0.12 -0.06 0.00 1.57 -1.89 -1.87 116.57 115.51 1p3u h LYS 13 Ca 0.34 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 58.84 1p3u h LYS 13 Cb 0.02 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1p3u h LYS 13 CO -0.10 0.70 -0.76 0.00 -0.57 0.00 0.00 179.45 178.72 1p3u h ARG 14 N 0.09 0.37 0.01 3.15 3.08 -0.57 -0.14 114.38 120.37 1p3u h ARG 14 Ca -0.01 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 1p3u h ARG 14 Cb 1.11 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1p3u h ARG 14 CO 0.09 0.97 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.89 1p3u h LEU 15 N 0.25 -0.01 0.28 3.04 3.38 -0.98 -0.95 115.31 120.33 1p3u h LEU 15 Ca -0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1p3u h LEU 15 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1p3u h LEU 15 CO 0.13 0.07 -0.14 0.50 0.09 0.00 0.00 178.44 179.09 1p3u h LYS 16 N -0.09 -0.37 -0.52 1.13 3.64 -1.28 -2.20 116.57 116.89 1p3u h LYS 16 Ca -0.00 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1p3u h LYS 16 Cb 0.08 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 1p3u h LYS 16 CO 0.00 -0.25 0.13 0.00 -2.27 0.00 0.00 179.45 177.06 1p3u h ALA 17 N 0.33 0.60 0.00 5.00 0.00 -0.92 -0.38 119.26 123.90 1p3u h ALA 17 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1p3u h ALA 17 Cb 0.30 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1p3u h ALA 17 CO 0.06 -0.28 0.00 -0.25 0.00 0.00 0.00 179.25 178.78 1p3u n ASP 18 N -5.09 0.28 0.00 0.00 9.92 -0.37 -3.60 116.55 117.70 1p3u n ASP 18 Ca 0.06 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 1p3u n ASP 18 Cb 0.25 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1p3u n ASP 18 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1p3u n THR 19 N -1.79 0.53 -0.28 -3.53 -2.24 -0.75 -4.78 114.28 101.45 1p3u n THR 19 Ca 0.05 -0.71 -0.05 0.00 -2.27 0.00 0.00 64.05 61.06 1p3u n THR 19 Cb 0.28 0.78 0.08 0.00 -2.10 0.00 0.00 70.33 69.37 1p3u n THR 19 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1p3u h THR 20 N 0.23 1.26 -0.19 4.28 2.02 -1.15 -0.11 112.91 119.25 1p3u h THR 20 Ca 0.00 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1p3u h THR 20 Cb 0.35 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1p3u h THR 20 CO 0.00 0.33 0.12 0.00 0.37 0.00 0.00 175.52 176.34 1p3u h ALA 21 N 1.20 0.25 -0.18 6.16 0.00 -1.86 -0.44 119.26 124.39 1p3u h ALA 21 Ca 0.26 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1p3u h ALA 21 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1p3u h ALA 21 CO -0.02 -0.25 -0.41 -0.24 0.00 0.00 0.00 179.25 178.33 1p3u h VAL 22 N 0.24 1.31 -0.27 0.00 3.04 -1.85 -1.88 116.25 116.84 1p3u h VAL 22 Ca 0.07 -1.55 -0.00 0.00 -1.01 0.00 0.00 66.70 64.21 1p3u h VAL 22 Cb 0.01 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 1p3u h VAL 22 CO -0.01 0.48 0.17 -0.74 -1.01 0.00 0.00 177.57 176.45 1p3u h HIS 23 N 0.34 0.35 -0.00 3.17 6.17 -0.73 -1.13 115.15 123.32 1p3u h HIS 23 Ca 0.03 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.08 1p3u h HIS 23 Cb 0.86 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.67 1p3u h HIS 23 CO 0.03 0.25 -0.16 -0.44 0.71 0.00 0.00 177.93 178.32 1p3u h ASP 24 N 0.35 0.01 0.15 3.26 3.32 -0.82 -0.13 116.42 122.55 1p3u h ASP 24 Ca 0.10 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1p3u h ASP 24 Cb -0.00 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1p3u h ASP 24 CO -0.02 0.17 -0.38 0.77 -1.72 0.00 0.00 179.24 178.06 1p3u h SER 25 N 0.01 0.33 -0.10 6.45 4.64 -0.51 -0.44 113.55 123.93 1p3u h SER 25 Ca -0.00 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 1p3u h SER 25 Cb 0.29 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1p3u h SER 25 CO 0.02 0.69 -0.11 0.58 -0.87 0.00 0.00 176.83 177.13 1p3u h VAL 26 N 0.27 1.37 -0.15 0.95 2.07 0.00 -1.01 116.25 119.76 1p3u h VAL 26 Ca 0.03 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.30 1p3u h VAL 26 Cb 0.80 2.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.50 1p3u h VAL 26 CO 0.06 0.37 -0.33 -0.78 0.02 0.00 0.00 177.57 176.91 1p3u h ASP 27 N -0.16 -1.02 -0.79 0.57 1.82 -0.87 0.18 116.42 116.14 1p3u h ASP 27 Ca 0.01 0.15 0.01 0.00 -0.39 0.00 0.00 57.03 56.81 1p3u h ASP 27 Cb 0.65 0.44 -0.04 0.00 0.68 0.00 0.00 39.33 41.05 1p3u h ASP 27 CO 0.03 -0.36 0.52 0.78 -1.61 0.00 0.00 179.24 178.60 1p3u h ASN 28 N -0.39 0.90 -0.33 2.28 2.35 -1.06 -1.46 115.58 117.86 1p3u h ASN 28 Ca 0.10 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1p3u h ASN 28 Cb 0.55 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1p3u h ASN 28 CO -0.37 0.65 -0.06 0.25 -1.65 0.00 0.00 177.43 176.25 1p3u h LEU 29 N 1.06 0.62 -0.14 1.61 5.85 -0.46 0.35 115.31 124.20 1p3u h LEU 29 Ca 0.29 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1p3u h LEU 29 Cb -0.11 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1p3u h LEU 29 CO -0.07 0.83 -0.01 0.58 -0.34 0.00 0.00 178.44 179.43 1p3u h VAL 30 N 0.41 0.89 -0.34 1.05 2.07 -0.41 -2.24 116.25 117.68 1p3u h VAL 30 Ca 0.09 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 1p3u h VAL 30 Cb 0.54 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1p3u h VAL 30 CO 0.03 0.01 -0.08 0.24 0.02 0.00 0.00 177.57 177.79 1p3u h MET 31 N 0.04 0.57 -0.15 1.57 2.86 -1.17 -2.86 114.93 115.79 1p3u h MET 31 Ca 0.07 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1p3u h MET 31 Cb 0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1p3u h MET 31 CO -0.12 0.65 0.03 0.77 1.06 0.00 0.00 176.91 179.30 1p3u h SER 32 N 0.53 0.18 -0.29 1.22 0.02 -0.34 -1.94 113.55 112.92 1p3u h SER 32 Ca 0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1p3u h SER 32 Cb 0.46 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1p3u h SER 32 CO 0.02 0.19 0.00 1.33 -1.14 0.00 0.00 176.83 177.24 1p3u n VAL 33 N -4.45 0.43 -3.49 2.27 0.24 -0.99 -4.97 118.33 107.37 1p3u n VAL 33 Ca -0.01 -0.40 -0.17 0.00 -2.04 0.00 0.00 64.34 61.72 1p3u n VAL 33 Cb 0.13 0.17 0.01 0.00 -1.47 0.00 0.00 33.84 32.68 1p3u n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p3u n GLN 34 N 0.36 -1.39 0.28 7.34 1.13 -0.73 -4.88 117.38 119.49 1p3u n GLN 34 Ca 0.10 0.98 0.19 0.00 -1.94 0.00 0.00 57.00 56.32 1p3u n GLN 34 Cb 0.27 -3.96 0.85 0.00 0.11 0.00 0.00 30.24 27.50 1p3u n GLN 34 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1p3u h PRO 35 N -0.32 0.00 -0.37 -1.09 0.13 -1.81 -3.05 132.00 125.49 1p3u h PRO 35 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1p3u h PRO 35 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1p3u h PRO 35 CO 0.36 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.32 1p3u n PHE 36 N -2.98 0.60 0.22 1.56 3.01 -1.26 -2.13 117.46 116.49 1p3u n PHE 36 Ca -0.01 -0.56 0.11 0.00 1.01 0.00 0.00 57.45 58.01 1p3u n PHE 36 Cb 0.21 -0.08 0.38 0.00 -0.01 0.00 0.00 39.48 39.99 1p3u n PHE 36 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 1p3u h VAL 37 N 2.20 0.31 -2.57 -4.37 3.04 -1.91 -3.47 116.25 109.48 1p3u h VAL 37 Ca 0.00 -1.09 0.07 0.00 -1.01 0.00 0.00 66.70 64.68 1p3u h VAL 37 Cb 0.88 1.85 -0.12 0.00 -2.01 0.00 0.00 31.29 31.89 1p3u h VAL 37 CO 0.04 0.15 0.38 -0.94 -1.01 0.00 0.00 177.57 176.19 1p3u s SER 38 N -6.10 -0.40 0.26 3.17 1.04 -1.26 -5.01 113.70 105.41 1p3u s SER 38 Ca 0.03 -0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.31 1p3u s SER 38 Cb 0.08 0.49 0.31 0.00 0.10 0.00 0.00 66.02 67.00 1p3u s SER 38 CO 0.64 -0.83 1.94 0.50 0.98 0.00 0.00 173.24 176.47 1p3u h LYS 39 N 2.00 1.27 -0.74 4.02 3.64 -1.92 0.12 116.57 124.96 1p3u h LYS 39 Ca -0.26 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1p3u h LYS 39 Cb 1.26 -0.29 -0.04 0.00 -0.41 0.00 0.00 32.23 32.76 1p3u h LYS 39 CO 0.32 0.84 0.48 1.49 -2.27 0.00 0.00 179.45 180.30 1p3u h GLU 40 N 1.30 0.98 -0.06 1.90 4.81 -1.95 -0.35 114.58 121.21 1p3u h GLU 40 Ca 0.35 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.34 1p3u h GLU 40 Cb -0.15 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.01 1p3u h GLU 40 CO -0.08 0.66 -0.72 -0.91 -0.73 0.00 0.00 179.01 177.24 1p3u h ASN 41 N 1.00 0.38 -0.03 1.04 4.21 -1.67 -2.20 115.58 118.32 1p3u h ASN 41 Ca 0.27 -0.25 -0.08 0.00 1.21 0.00 0.00 56.30 57.45 1p3u h ASN 41 Cb -0.09 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 36.98 1p3u h ASN 41 CO -0.06 0.98 -0.21 0.22 -1.29 0.00 0.00 177.43 177.07 1p3u h TYR 42 N 0.22 0.44 -0.32 1.19 3.20 -0.46 -0.52 116.97 120.72 1p3u h TYR 42 Ca -0.03 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.64 1p3u h TYR 42 Cb 1.29 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 1p3u h TYR 42 CO 0.04 0.59 -0.32 0.82 -1.64 0.00 0.00 178.16 177.65 1p3u h ILE 43 N 0.37 1.28 -0.48 1.81 2.04 -0.90 0.58 117.51 122.20 1p3u h ILE 43 Ca 0.06 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.39 1p3u h ILE 43 Cb 0.57 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1p3u h ILE 43 CO 0.04 0.47 -0.02 0.11 0.00 0.00 0.00 178.15 178.75 1p3u h LYS 44 N 0.59 0.80 -0.45 2.37 1.57 -0.73 -0.93 116.57 119.80 1p3u h LYS 44 Ca 0.07 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1p3u h LYS 44 Cb 0.83 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1p3u h LYS 44 CO 0.07 0.82 0.13 0.35 -0.57 0.00 0.00 179.45 180.25 1p3u h PHE 45 N 0.75 0.74 -0.34 -1.35 3.57 -0.49 -1.93 116.94 117.88 1p3u h PHE 45 Ca 0.14 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1p3u h PHE 45 Cb 0.48 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1p3u h PHE 45 CO 0.03 0.67 0.06 -0.07 -2.23 0.00 0.00 178.31 176.76 1p3u h LEU 46 N 0.59 0.47 -0.47 0.59 3.38 -0.41 -0.82 115.31 118.63 1p3u h LEU 46 Ca 0.14 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1p3u h LEU 46 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1p3u h LEU 46 CO -0.00 0.49 -0.13 0.11 0.09 0.00 0.00 178.44 179.00 1p3u h LYS 47 N 0.50 0.92 -0.02 1.13 1.57 -0.89 0.11 116.57 119.88 1p3u h LYS 47 Ca 0.11 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1p3u h LYS 47 Cb 0.23 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1p3u h LYS 47 CO 0.00 1.02 -0.01 1.25 -0.57 0.00 0.00 179.45 181.14 1p3u h LEU 48 N 0.76 -0.02 -0.94 2.94 5.85 -0.81 -1.60 115.31 121.49 1p3u h LEU 48 Ca 0.12 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1p3u h LEU 48 Cb 0.69 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1p3u h LEU 48 CO 0.05 -0.01 0.62 1.56 -0.34 0.00 0.00 178.44 180.32 1p3u h GLN 49 N -0.00 1.20 -0.66 1.25 1.08 -0.98 -2.22 115.11 114.78 1p3u h GLN 49 Ca 0.01 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1p3u h GLN 49 Cb 0.02 -0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 27.13 1p3u h GLN 49 CO -0.02 0.80 0.40 1.03 -0.95 0.00 0.00 178.83 180.08 1p3u h SER 50 N 1.24 0.64 -0.01 1.46 0.87 -0.28 -0.06 113.55 117.41 1p3u h SER 50 Ca 0.36 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1p3u h SER 50 Cb -0.09 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1p3u h SER 50 CO -0.09 0.44 0.00 0.58 -0.53 0.00 0.00 176.83 177.23 1p3u h VAL 51 N 0.77 1.19 -0.40 2.23 2.07 -0.79 -0.77 116.25 120.56 1p3u h VAL 51 Ca 0.27 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1p3u h VAL 51 Cb 0.06 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1p3u h VAL 51 CO -0.12 0.15 0.26 0.15 0.02 0.00 0.00 177.57 178.02 1p3u h PHE 52 N -0.23 0.52 0.00 1.57 3.57 -1.18 -1.05 116.94 120.14 1p3u h PHE 52 Ca 0.00 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1p3u h PHE 52 Cb 0.24 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1p3u h PHE 52 CO 0.01 0.34 -0.45 0.45 -2.23 0.00 0.00 178.31 176.43 1p3u h HIS 53 N 0.54 0.00 -0.61 0.41 3.86 -0.98 -2.07 115.15 116.30 1p3u h HIS 53 Ca 0.15 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.26 1p3u h HIS 53 Cb -0.03 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1p3u h HIS 53 CO -0.04 0.45 0.02 -0.22 0.86 0.00 0.00 177.93 179.00 1p3u h LYS 54 N 0.00 1.07 0.00 2.45 1.63 -0.77 -2.47 116.57 118.48 1p3u h LYS 54 Ca -0.00 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.46 1p3u h LYS 54 Cb 0.82 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.34 1p3u h LYS 54 CO 0.06 1.03 -0.03 0.00 -3.45 0.00 0.00 179.45 177.05 1p3u h ALA 55 N 1.00 1.42 -0.04 5.00 0.00 -0.49 -2.25 119.26 123.90 1p3u h ALA 55 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p3u h ALA 55 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1p3u h ALA 55 CO 0.03 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.65 1p3u n VAL 56 N -3.73 0.04 -0.25 0.00 0.24 -1.07 -4.64 118.33 108.92 1p3u n VAL 56 Ca -0.03 -0.52 0.02 0.00 -2.04 0.00 0.00 64.34 61.77 1p3u n VAL 56 Cb 0.13 1.28 0.15 0.00 -1.47 0.00 0.00 33.84 33.93 1p3u n VAL 56 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1p3u h ASP 57 N 2.99 0.49 0.79 -1.34 -0.00 -0.93 -0.73 116.42 117.69 1p3u h ASP 57 Ca 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 57.08 1p3u h ASP 57 Cb 0.64 -0.02 -0.00 0.00 -0.00 0.00 0.00 39.33 39.95 1p3u h ASP 57 CO 0.00 0.27 -0.06 1.12 -0.00 0.00 0.00 179.24 180.57 1p3u h HIS 58 N 0.62 0.00 0.08 0.28 2.07 -1.82 -2.66 115.15 113.73 1p3u h HIS 58 Ca 0.36 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.68 1p3u h HIS 58 Cb 0.39 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.39 1p3u h HIS 58 CO -0.10 0.06 -0.83 0.82 -3.07 0.00 0.00 177.93 174.81 1p3u h ILE 59 N 0.00 1.42 0.00 6.12 2.04 -1.46 -2.16 117.51 123.47 1p3u h ILE 59 Ca -0.00 -2.34 -0.03 0.00 1.00 0.00 0.00 64.86 63.49 1p3u h ILE 59 Cb 0.47 2.85 -0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1p3u h ILE 59 CO 0.01 0.68 -0.17 1.88 0.00 0.00 0.00 178.15 180.55 1p3u h TYR 60 N -0.11 0.00 -0.15 1.37 -1.99 -1.21 -2.14 116.97 112.74 1p3u h TYR 60 Ca -0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1p3u h TYR 60 Cb 1.58 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.31 1p3u h TYR 60 CO 0.16 0.17 0.00 1.63 -0.00 0.00 0.00 178.16 180.11 1p3u n LYS 61 N -4.22 2.09 -1.68 4.88 5.02 -1.02 -2.31 118.16 120.93 1p3u n LYS 61 Ca -0.02 -1.62 -0.45 0.00 -2.02 0.00 0.00 58.31 54.20 1p3u n LYS 61 Cb 0.24 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1p3u n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1p3u n ASP 62 N 0.89 3.79 -0.04 4.39 -0.08 -0.81 -4.90 116.55 119.80 1p3u n ASP 62 Ca 0.17 0.97 -0.08 0.00 -1.51 0.00 0.00 54.79 54.34 1p3u n ASP 62 Cb 0.49 -1.47 -0.02 0.00 2.34 0.00 0.00 41.12 42.45 1p3u n ASP 62 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1p3u h ALA 63 N 9.04 0.04 -0.27 -1.67 0.00 -1.90 -0.42 119.26 124.08 1p3u h ALA 63 Ca -0.48 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1p3u h ALA 63 Cb 1.25 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 1p3u h ALA 63 CO 0.94 -0.55 0.04 1.49 0.00 0.00 0.00 179.25 181.17 1p3u h GLU 64 N -0.12 0.13 -0.03 0.00 4.81 -1.98 -2.42 114.58 114.98 1p3u h GLU 64 Ca 0.12 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1p3u h GLU 64 Cb 0.30 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1p3u h GLU 64 CO -0.29 0.09 -0.33 -0.07 -0.73 0.00 0.00 179.01 177.68 1p3u h LEU 65 N 0.14 0.06 -0.40 1.64 3.38 -1.83 -2.21 115.31 116.09 1p3u h LEU 65 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1p3u h LEU 65 Cb 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1p3u h LEU 65 CO -0.17 0.39 0.00 0.59 0.09 0.00 0.00 178.44 179.33 1p3u n ASN 66 N -4.13 0.60 0.07 -0.43 3.02 -0.19 -0.23 115.26 113.96 1p3u n ASN 66 Ca -0.02 0.61 -0.03 0.00 -0.03 0.00 0.00 54.58 55.11 1p3u n ASN 66 Cb 0.38 -0.75 -0.08 0.00 -0.61 0.00 0.00 39.78 38.72 1p3u n ASN 66 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1p3u h LYS 67 N 0.00 0.00 0.00 3.52 1.79 -1.04 -3.32 116.57 117.53 1p3u h LYS 67 Ca 0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 1p3u h LYS 67 Cb 0.46 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 1p3u h LYS 67 CO 0.00 0.67 -1.96 0.00 -1.08 0.00 0.00 179.45 177.08 1p3u n ALA 68 N -2.35 2.01 -3.81 3.86 0.00 -0.99 -4.72 120.51 114.51 1p3u n ALA 68 Ca -0.04 -0.85 -0.30 0.00 0.00 0.00 0.00 53.44 52.26 1p3u n ALA 68 Cb 0.88 -0.60 -0.14 0.00 0.00 0.00 0.00 19.45 19.60 1p3u n ALA 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1p3u s ILE 69 N -2.92 1.72 0.19 0.00 1.01 0.68 -4.95 121.20 116.91 1p3u s ILE 69 Ca -0.07 -2.53 -0.33 0.00 0.00 0.00 0.00 60.65 57.72 1p3u s ILE 69 Cb 0.09 -2.22 -0.13 0.00 0.01 0.00 0.00 42.46 40.21 1p3u s ILE 69 CO 0.85 -0.80 1.66 -0.81 0.00 0.00 0.00 174.94 175.83 1p3u n PRO 70 N 3.73 2.48 -1.11 2.79 -0.04 -1.25 -2.29 135.00 139.31 1p3u n PRO 70 Ca 0.05 0.90 -0.04 0.00 -0.04 0.00 0.00 63.50 64.37 1p3u n PRO 70 Cb 0.36 -2.71 -0.02 0.00 -0.04 0.00 0.00 33.50 31.10 1p3u n PRO 70 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1p3u n GLU 71 N 3.71 -0.50 -0.08 0.54 -0.58 -1.26 -4.92 120.64 117.55 1p3u n GLU 71 Ca 0.16 0.50 0.03 0.00 -0.42 0.00 0.00 57.16 57.43 1p3u n GLU 71 Cb 0.32 -4.14 0.36 0.00 -0.57 0.00 0.00 31.44 27.41 1p3u n GLU 71 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1p3u h LEU 72 N 0.00 0.62 -2.54 -4.62 5.85 -1.74 -2.08 115.31 110.80 1p3u h LEU 72 Ca -0.08 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1p3u h LEU 72 Cb 0.36 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1p3u h LEU 72 CO 0.11 0.44 0.00 1.05 -0.34 0.00 0.00 178.44 179.71 1p3u h GLU 73 N 0.73 0.00 -0.00 1.25 4.11 -1.75 -1.71 114.58 117.19 1p3u h GLU 73 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1p3u h GLU 73 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1p3u h GLU 73 CO -0.05 0.00 -0.25 0.66 0.07 0.00 0.00 179.01 179.44 1p3u n TYR 74 N -3.75 0.00 0.61 2.06 0.53 -0.78 -3.78 117.16 112.04 1p3u n TYR 74 Ca -0.03 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.98 1p3u n TYR 74 Cb 0.08 -0.22 0.33 0.00 -1.03 0.00 0.00 39.34 38.50 1p3u n TYR 74 CO 0.00 0.00 0.00 -1.33 -1.02 0.00 0.00 176.86 174.51 1p3u n MET 75 N -1.09 0.27 -1.67 -0.72 2.81 -0.64 -4.91 117.12 111.17 1p3u n MET 75 Ca 0.10 0.18 -0.44 0.00 -1.81 0.00 0.00 57.70 55.73 1p3u n MET 75 Cb 0.32 -1.77 -0.02 0.00 -0.71 0.00 0.00 33.22 31.04 1p3u n MET 75 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1p3u n ALA 76 N -1.80 0.88 0.08 3.04 0.00 -1.25 -4.92 120.51 116.55 1p3u n ALA 76 Ca 0.05 0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.91 1p3u n ALA 76 Cb 0.43 -2.21 0.06 0.00 0.00 0.00 0.00 19.45 17.74 1p3u n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1p3u n ARG 77 N 1.07 1.45 -0.26 0.00 1.74 -1.26 -4.67 116.66 114.72 1p3u n ARG 77 Ca 0.08 -1.37 -0.01 0.00 -0.77 0.00 0.00 57.85 55.78 1p3u n ARG 77 Cb 0.33 -1.14 0.11 0.00 -1.02 0.00 0.00 32.46 30.74 1p3u n ARG 77 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1p3u h TYR 78 N 1.25 0.80 -0.69 -1.55 3.20 -1.91 -1.43 116.97 116.64 1p3u h TYR 78 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1p3u h TYR 78 Cb 0.46 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1p3u h TYR 78 CO 0.07 0.41 0.40 -0.44 -1.64 0.00 0.00 178.16 176.96 1p3u h ASP 79 N 0.81 0.84 -0.45 -2.11 3.32 -1.96 -1.65 116.42 115.21 1p3u h ASP 79 Ca 0.32 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1p3u h ASP 79 Cb 0.14 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1p3u h ASP 79 CO -0.16 0.67 0.28 0.00 -1.72 0.00 0.00 179.24 178.31 1p3u h ALA 80 N 1.20 0.57 -0.81 3.45 0.00 -1.68 -0.95 119.26 121.04 1p3u h ALA 80 Ca 0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1p3u h ALA 80 Cb -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1p3u h ALA 80 CO -0.04 0.03 0.37 0.28 0.00 0.00 0.00 179.25 179.89 1p3u h VAL 81 N 0.60 1.26 -0.32 0.00 2.07 -1.02 -0.65 116.25 118.19 1p3u h VAL 81 Ca 0.16 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 1p3u h VAL 81 Cb -0.04 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1p3u h VAL 81 CO -0.03 0.32 -0.06 0.74 0.02 0.00 0.00 177.57 178.55 1p3u h THR 82 N 1.15 1.21 -0.13 2.57 2.02 -0.88 -1.03 112.91 117.82 1p3u h THR 82 Ca 0.27 -0.90 -0.17 0.00 0.77 0.00 0.00 66.41 66.38 1p3u h THR 82 Cb 0.15 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1p3u h THR 82 CO -0.03 0.30 -0.64 -0.61 0.37 0.00 0.00 175.52 174.91 1p3u h GLN 83 N 0.49 0.49 -0.56 6.66 5.75 -0.62 -1.60 115.11 125.72 1p3u h GLN 83 Ca 0.10 -0.35 -0.04 0.00 -0.15 0.00 0.00 58.65 58.20 1p3u h GLN 83 Cb 0.41 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 1p3u h GLN 83 CO 0.02 0.97 0.17 -0.44 -2.65 0.00 0.00 178.83 176.90 1p3u h ASP 84 N 0.36 0.79 -0.63 -0.69 3.32 -0.47 0.15 116.42 119.24 1p3u h ASP 84 Ca -0.01 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 1p3u h ASP 84 Cb 1.20 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 1p3u h ASP 84 CO 0.12 0.75 0.15 -0.07 -1.72 0.00 0.00 179.24 178.46 1p3u h LEU 85 N 0.82 0.97 -0.50 1.55 3.38 -0.93 -2.29 115.31 118.32 1p3u h LEU 85 Ca 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1p3u h LEU 85 Cb 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1p3u h LEU 85 CO -0.01 0.95 0.29 0.50 0.09 0.00 0.00 178.44 180.27 1p3u h LYS 86 N 0.94 0.68 -0.81 1.13 3.64 -0.25 0.14 116.57 122.03 1p3u h LYS 86 Ca 0.20 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.61 1p3u h LYS 86 Cb 0.37 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1p3u h LYS 86 CO 0.00 0.51 0.53 -0.44 -2.27 0.00 0.00 179.45 177.78 1p3u h ASP 87 N 0.66 0.66 -0.09 4.20 3.32 -0.40 -0.02 116.42 124.76 1p3u h ASP 87 Ca 0.18 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1p3u h ASP 87 Cb 0.01 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1p3u h ASP 87 CO -0.03 0.39 0.00 0.18 -1.72 0.00 0.00 179.24 178.06 1p3u n LEU 88 N -4.51 0.74 0.00 1.55 7.99 -0.81 -4.89 117.00 117.07 1p3u n LEU 88 Ca 0.14 -0.32 0.00 0.00 -0.01 0.00 0.00 56.01 55.81 1p3u n LEU 88 Cb 0.34 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 1p3u n LEU 88 CO 0.32 0.16 0.00 0.61 -1.51 0.00 0.00 177.39 176.97 1p3u n GLY 89 N 0.89 0.46 3.67 -0.72 0.00 -0.02 -5.06 105.19 104.41 1p3u n GLY 89 Ca 0.12 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 1p3u n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p3u s GLU 90 N -1.72 2.75 0.74 1.61 0.41 0.41 -4.99 118.70 117.92 1p3u s GLU 90 Ca 0.00 -0.63 -0.10 0.00 -0.41 0.00 0.00 54.97 53.83 1p3u s GLU 90 Cb 0.00 -2.65 0.06 0.00 -1.78 0.00 0.00 34.13 29.76 1p3u s GLU 90 CO 0.00 0.62 1.10 -1.21 -0.49 0.00 0.00 175.26 175.28 1p3u s GLU 91 N -1.53 2.29 0.32 1.61 2.02 -1.26 -3.12 118.70 119.03 1p3u s GLU 91 Ca 0.19 0.09 -0.29 0.00 0.02 0.00 0.00 54.97 54.99 1p3u s GLU 91 Cb -0.11 -2.04 -0.12 0.00 0.10 0.00 0.00 34.13 31.95 1p3u s GLU 91 CO 0.10 -1.32 1.36 -2.30 0.02 0.00 0.00 175.26 173.12 1p3u n PRO 92 N -3.10 2.23 -3.53 0.39 -0.02 -1.26 -4.87 135.00 124.83 1p3u n PRO 92 Ca 0.07 0.78 -0.38 0.00 -2.02 0.00 0.00 63.50 61.96 1p3u n PRO 92 Cb 0.60 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 1p3u n PRO 92 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1p3u s TYR 93 N -0.83 3.67 -0.11 6.00 5.04 -1.26 -5.08 117.35 124.78 1p3u s TYR 93 Ca 0.58 0.89 0.02 0.00 -2.44 0.00 0.00 57.07 56.13 1p3u s TYR 93 Cb -0.56 -2.27 0.01 0.00 0.35 0.00 0.00 41.96 39.48 1p3u s TYR 93 CO 0.59 0.58 -0.18 0.21 -1.34 0.00 0.00 175.55 175.41 1p3u s LYS 94 N -0.78 2.46 0.45 4.97 2.20 -1.26 -4.84 119.74 122.95 1p3u s LYS 94 Ca 0.22 -0.66 -0.25 0.00 -0.36 0.00 0.00 55.97 54.93 1p3u s LYS 94 Cb -0.16 -2.02 -0.08 0.00 -1.51 0.00 0.00 37.83 34.06 1p3u s LYS 94 CO 0.11 -0.01 1.36 0.34 -0.36 0.00 0.00 175.35 176.79 1p3u n PHE 95 N 4.04 2.42 -0.03 4.03 7.35 -1.26 -4.94 117.46 129.07 1p3u n PHE 95 Ca -0.20 0.46 -0.13 0.00 -0.76 0.00 0.00 57.45 56.83 1p3u n PHE 95 Cb 0.52 -2.41 -0.08 0.00 0.35 0.00 0.00 39.48 37.85 1p3u n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1p3u h ASP 96 N 2.09 0.19 -3.35 -2.13 5.19 -2.03 -3.46 116.42 112.93 1p3u h ASP 96 Ca -0.50 -0.44 -0.45 0.00 -0.62 0.00 0.00 57.03 55.02 1p3u h ASP 96 Cb 1.28 -0.05 0.13 0.00 0.18 0.00 0.00 39.33 40.87 1p3u h ASP 96 CO 0.60 0.59 0.31 -0.54 -3.12 0.00 0.00 179.24 177.08 1p3u s LYS 97 N -4.45 1.06 0.30 3.56 -0.14 -1.26 -5.04 119.74 113.76 1p3u s LYS 97 Ca -0.15 -0.66 -0.28 0.00 -1.36 0.00 0.00 55.97 53.52 1p3u s LYS 97 Cb 0.04 -2.03 -0.09 0.00 -1.68 0.00 0.00 37.83 34.07 1p3u s LYS 97 CO 0.71 -2.04 1.05 -2.00 -0.76 0.00 0.00 175.35 172.31 1p3u s GLU 98 N -5.61 4.57 0.13 1.68 2.12 -1.26 -5.03 118.70 115.31 1p3u s GLU 98 Ca 0.71 1.65 -0.16 0.00 0.36 0.00 0.00 54.97 57.53 1p3u s GLU 98 Cb -0.05 -3.04 -0.07 0.00 0.26 0.00 0.00 34.13 31.24 1p3u s GLU 98 CO 0.50 0.20 0.56 -0.51 -0.54 0.00 0.00 175.26 175.47 1p3u s LEU 99 N -1.70 4.38 0.52 2.70 1.43 -1.26 -5.05 118.68 119.70 1p3u s LEU 99 Ca 0.47 1.14 -0.23 0.00 -1.03 0.00 0.00 54.13 54.48 1p3u s LEU 99 Cb -0.28 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 1p3u s LEU 99 CO 0.35 0.14 1.35 -2.84 0.23 0.00 0.00 176.35 175.58 1p3u s PRO 100 N -1.77 3.32 -0.40 1.29 0.02 -1.26 -4.95 135.00 131.25 1p3u s PRO 100 Ca 0.36 2.21 0.09 0.00 0.02 0.00 0.00 61.00 63.68 1p3u s PRO 100 Cb -0.16 -2.35 0.27 0.00 0.02 0.00 0.00 34.50 32.28 1p3u s PRO 100 CO 0.19 -1.04 0.58 0.98 -0.33 0.00 0.00 177.00 177.38 1p3u n TYR 101 N -0.80 -0.05 -1.59 6.54 9.36 -1.26 -4.80 117.16 124.56 1p3u n TYR 101 Ca 0.09 -3.65 -0.33 0.00 3.32 0.00 0.00 57.90 57.34 1p3u n TYR 101 Cb 0.45 -0.38 0.07 0.00 -0.63 0.00 0.00 39.34 38.85 1p3u n TYR 101 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1p3u s GLU 102 N -1.54 2.54 0.34 2.98 2.56 -1.26 -5.07 118.70 119.25 1p3u s GLU 102 Ca 0.36 1.42 0.02 0.00 0.00 0.00 0.00 54.97 56.78 1p3u s GLU 102 Cb 0.21 -1.92 -0.01 0.00 2.00 0.00 0.00 34.13 34.41 1p3u s GLU 102 CO -0.10 -1.46 0.38 0.00 -0.56 0.00 0.00 175.26 173.53 1p3u s ALA 103 N -2.38 1.29 0.00 6.30 0.00 -1.26 -4.74 121.76 120.98 1p3u s ALA 103 Ca 0.67 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1p3u s ALA 103 Cb -0.21 1.31 0.00 0.00 0.00 0.00 0.00 23.12 24.21 1p3u s ALA 103 CO 0.45 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1p3u n GLY 104 N -0.59 2.05 0.28 0.00 0.00 -1.26 -2.18 105.19 103.49 1p3u n GLY 104 Ca 0.04 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 1p3u n GLY 104 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1p3u h ASN 105 N 9.51 0.79 -0.39 1.61 2.35 -1.93 -2.67 115.58 124.85 1p3u h ASN 105 Ca 0.00 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 1p3u h ASN 105 Cb 0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1p3u h ASN 105 CO 0.00 0.90 0.15 0.11 -1.65 0.00 0.00 177.43 176.94 1p3u h LYS 106 N 0.74 0.65 0.00 0.81 1.57 -1.71 -1.02 116.57 117.61 1p3u h LYS 106 Ca 0.13 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1p3u h LYS 106 Cb 0.55 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1p3u h LYS 106 CO 0.03 0.56 -0.15 0.00 -0.57 0.00 0.00 179.45 179.32 1p3u h ALA 107 N 1.53 1.42 -0.11 3.86 0.00 -1.08 -0.66 119.26 124.22 1p3u h ALA 107 Ca 0.15 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1p3u h ALA 107 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1p3u h ALA 107 CO -0.01 0.19 -0.40 0.82 0.00 0.00 0.00 179.25 179.86 1p3u h ILE 108 N 0.00 1.30 -0.48 0.00 2.04 -1.11 -1.45 117.51 117.82 1p3u h ILE 108 Ca -0.00 -1.48 -0.11 0.00 1.00 0.00 0.00 64.86 64.27 1p3u h ILE 108 Cb 0.35 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1p3u h ILE 108 CO 0.02 0.44 -0.15 1.23 0.00 0.00 0.00 178.15 179.69 1p3u h GLY 109 N 1.19 0.99 1.39 5.37 0.00 -1.03 -1.52 103.07 109.45 1p3u h GLY 109 Ca 0.02 -0.81 -0.10 0.00 0.00 0.00 0.00 47.33 46.44 1p3u h GLY 109 CO 0.06 0.74 -0.18 1.49 0.00 0.00 0.00 176.54 178.66 1p3u h TRP 110 N 0.81 0.80 -0.62 5.60 4.06 -1.15 -1.73 115.95 123.71 1p3u h TRP 110 Ca 0.12 -0.16 -0.07 0.00 2.06 0.00 0.00 58.89 60.84 1p3u h TRP 110 Cb 0.69 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.63 1p3u h TRP 110 CO 0.04 0.84 0.11 1.25 -3.56 0.00 0.00 178.44 177.12 1p3u h LEU 111 N 0.64 0.98 -0.51 -4.49 5.85 -0.95 -0.92 115.31 115.91 1p3u h LEU 111 Ca 0.10 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1p3u h LEU 111 Cb 0.65 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1p3u h LEU 111 CO 0.05 0.99 0.30 0.22 -0.34 0.00 0.00 178.44 179.65 1p3u h TYR 112 N 0.94 0.68 0.18 1.25 3.20 -1.03 -0.71 116.97 121.48 1p3u h TYR 112 Ca 0.19 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1p3u h TYR 112 Cb 0.42 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 1p3u h TYR 112 CO 0.03 0.49 -0.10 0.00 -1.64 0.00 0.00 178.16 176.94 1p3u h ALA 114 N 0.55 0.67 -0.13 0.00 0.00 -1.03 -2.24 119.26 117.08 1p3u h ALA 114 Ca -0.02 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 1p3u h ALA 114 Cb 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1p3u h ALA 114 CO 0.03 0.34 -0.70 1.49 0.00 0.00 0.00 179.25 180.41 1p3u h GLU 115 N 0.70 0.56 -0.38 0.00 4.57 -1.10 -2.96 114.58 115.96 1p3u h GLU 115 Ca 0.16 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 57.86 1p3u h GLU 115 Cb 0.30 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1p3u h GLU 115 CO -0.00 1.05 0.02 0.78 -1.18 0.00 0.00 179.01 179.68 1p3u h GLY 116 N 1.03 0.65 2.00 1.92 0.00 -0.92 -1.19 103.07 106.56 1p3u h GLY 116 Ca -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1p3u h GLY 116 CO 0.13 0.36 -0.05 1.48 0.00 0.00 0.00 176.54 178.46 1p3u h SER 117 N 0.57 0.00 -0.13 0.19 4.64 -1.23 -0.49 113.55 117.10 1p3u h SER 117 Ca 0.12 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.24 1p3u h SER 117 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1p3u h SER 117 CO 0.01 0.05 -0.70 -1.13 -0.87 0.00 0.00 176.83 174.20 1p3u h ASN 118 N 0.00 0.89 -0.19 4.97 -1.24 -1.16 -1.94 115.58 116.90 1p3u h ASN 118 Ca -0.00 -0.54 -0.02 0.00 0.71 0.00 0.00 56.30 56.45 1p3u h ASN 118 Cb 0.14 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1p3u h ASN 118 CO 0.01 1.33 0.06 0.25 -1.29 0.00 0.00 177.43 177.79 1p3u h LEU 119 N 0.54 0.29 -0.62 0.34 5.85 -0.90 -3.11 115.31 117.70 1p3u h LEU 119 Ca -0.03 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1p3u h LEU 119 Cb 1.31 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1p3u h LEU 119 CO 0.14 0.43 0.00 0.61 -0.34 0.00 0.00 178.44 179.28 1p3u n GLY 120 N -0.57 -0.26 0.00 3.75 0.00 -0.59 -4.15 105.19 103.37 1p3u n GLY 120 Ca -0.04 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.80 1p3u n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3u n ALA 121 N -0.13 2.10 -0.22 4.61 0.00 -0.73 -3.70 120.51 122.44 1p3u n ALA 121 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1p3u n ALA 121 Cb 0.20 -1.28 0.10 0.00 0.00 0.00 0.00 19.45 18.47 1p3u n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p3u h ALA 122 N 3.03 0.85 0.20 0.00 0.00 -1.82 -0.61 119.26 120.91 1p3u h ALA 122 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1p3u h ALA 122 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1p3u h ALA 122 CO 0.00 -0.05 -0.09 0.35 0.00 0.00 0.00 179.25 179.45 1p3u h PHE 123 N 0.57 -0.24 -1.00 0.00 3.57 -1.94 -1.36 116.94 116.54 1p3u h PHE 123 Ca 0.30 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.83 1p3u h PHE 123 Cb 0.27 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 1p3u h PHE 123 CO -0.11 -0.10 0.66 -0.07 -2.23 0.00 0.00 178.31 176.46 1p3u h LEU 124 N -0.33 1.10 -0.85 0.59 3.38 -1.75 -2.16 115.31 115.29 1p3u h LEU 124 Ca -0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1p3u h LEU 124 Cb 0.26 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1p3u h LEU 124 CO 0.04 0.76 0.37 0.15 0.09 0.00 0.00 178.44 179.85 1p3u h PHE 125 N 1.28 1.21 -0.50 1.13 3.57 -0.87 -0.03 116.94 122.73 1p3u h PHE 125 Ca 0.39 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1p3u h PHE 125 Cb -0.03 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.32 1p3u h PHE 125 CO -0.00 0.89 0.29 -0.22 -2.23 0.00 0.00 178.31 177.04 1p3u h LYS 126 N 1.18 0.69 0.00 1.11 3.64 -0.62 -1.37 116.57 121.20 1p3u h LYS 126 Ca 0.28 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1p3u h LYS 126 Cb 0.16 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1p3u h LYS 126 CO -0.03 0.52 -0.44 0.45 -2.27 0.00 0.00 179.45 177.67 1p3u h HIS 127 N 0.67 0.00 -0.50 1.91 3.86 -1.13 -2.80 115.15 117.16 1p3u h HIS 127 Ca 0.18 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.26 1p3u h HIS 127 Cb 0.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1p3u h HIS 127 CO -0.02 0.44 -0.19 0.00 0.86 0.00 0.00 177.93 179.02 1p3u h ALA 128 N 1.56 0.69 -0.41 2.45 0.00 -0.73 -2.49 119.26 120.33 1p3u h ALA 128 Ca -0.00 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.62 1p3u h ALA 128 Cb 1.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1p3u h ALA 128 CO 0.06 0.66 0.29 1.96 0.00 0.00 0.00 179.25 182.22 1p3u h GLN 129 N 0.87 0.10 0.00 0.00 4.20 -0.98 0.73 115.11 120.03 1p3u h GLN 129 Ca 0.12 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1p3u h GLN 129 Cb 0.76 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1p3u h GLN 129 CO 0.06 0.07 -0.06 0.87 -0.67 0.00 0.00 178.83 179.10 1p3u h LYS 130 N 0.11 0.00 -0.61 1.46 1.57 -1.34 0.47 116.57 118.22 1p3u h LYS 130 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1p3u h LYS 130 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1p3u h LYS 130 CO -0.02 0.06 0.00 1.28 -0.57 0.00 0.00 179.45 180.20 1p3u n LEU 131 N -3.54 3.54 -0.44 2.94 4.77 0.22 -4.90 117.00 119.59 1p3u n LEU 131 Ca -0.02 -1.78 -0.06 0.00 -0.03 0.00 0.00 56.01 54.13 1p3u n LEU 131 Cb 0.18 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1p3u n LEU 131 CO 0.28 0.74 -0.05 0.47 -1.33 0.00 0.00 177.39 177.49 1p3u n ASP 132 N 1.07 -4.19 -4.65 -1.43 10.43 0.15 -4.99 116.55 112.95 1p3u n ASP 132 Ca 0.20 0.14 -0.38 0.00 2.57 0.00 0.00 54.79 57.32 1p3u n ASP 132 Cb 0.62 -2.19 -0.09 0.00 1.84 0.00 0.00 41.12 41.30 1p3u n ASP 132 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1p3u s TYR 133 N -2.05 3.32 0.00 1.24 4.12 -1.03 -4.96 117.35 118.00 1p3u s TYR 133 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 57.07 57.54 1p3u s TYR 133 Cb 0.00 -2.47 0.00 0.00 -1.52 0.00 0.00 41.96 37.97 1p3u s TYR 133 CO 0.00 -0.06 0.00 0.27 0.02 0.00 0.00 175.55 175.78 1p3u n ASN 134 N 4.69 1.05 0.00 2.29 0.23 0.63 -2.57 115.26 121.59 1p3u n ASN 134 Ca -0.10 -0.80 0.05 0.00 -0.53 0.00 0.00 54.58 53.20 1p3u n ASN 134 Cb 0.51 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.48 1p3u n ASN 134 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1p3u n GLY 135 N 2.63 -0.67 0.08 4.83 0.00 -1.26 -1.33 105.19 109.47 1p3u n GLY 135 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.01 1p3u n GLY 135 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p3u n GLU 136 N -1.31 3.50 -3.57 1.61 -0.58 -1.26 -4.34 120.64 114.68 1p3u n GLU 136 Ca 0.05 -0.24 -0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1p3u n GLU 136 Cb 0.09 -0.92 -0.04 0.00 -0.57 0.00 0.00 31.44 30.00 1p3u n GLU 136 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1p3u s HIS 137 N -1.45 -1.34 0.00 -0.32 2.46 -0.81 -4.98 115.29 108.85 1p3u s HIS 137 Ca 0.04 2.19 0.00 0.00 0.47 0.00 0.00 55.06 57.76 1p3u s HIS 137 Cb 0.06 0.75 0.00 0.00 -0.13 0.00 0.00 32.58 33.26 1p3u s HIS 137 CO 0.25 -0.68 0.00 0.41 -2.47 0.00 0.00 174.74 172.25 1p3u n GLY 138 N 5.42 2.40 2.18 1.59 0.00 -1.26 -0.27 105.19 115.26 1p3u n GLY 138 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1p3u n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3u n ALA 139 N 0.00 3.60 -0.11 4.61 0.00 -0.44 -4.82 120.51 123.35 1p3u n ALA 139 Ca 0.00 -3.16 -0.03 0.00 0.00 0.00 0.00 53.44 50.25 1p3u n ALA 139 Cb 0.00 -0.60 0.20 0.00 0.00 0.00 0.00 19.45 19.05 1p3u n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p3u h ARG 140 N 2.14 0.77 0.00 0.00 3.08 -1.73 -2.40 114.38 116.24 1p3u h ARG 140 Ca 0.06 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1p3u h ARG 140 Cb 1.41 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1p3u h ARG 140 CO 0.38 0.73 0.00 -2.39 -1.07 0.00 0.00 179.97 177.62 1p3u n HIS 141 N -4.26 0.00 0.70 3.04 1.44 -1.26 -2.97 115.22 111.90 1p3u n HIS 141 Ca 0.03 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.81 1p3u n HIS 141 Cb 0.24 -0.44 -0.07 0.00 0.12 0.00 0.00 29.99 29.84 1p3u n HIS 141 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1p3u n LEU 142 N -1.44 0.84 -4.75 2.39 4.77 -0.92 -4.98 117.00 112.90 1p3u n LEU 142 Ca 0.07 -0.54 -0.37 0.00 -0.03 0.00 0.00 56.01 55.14 1p3u n LEU 142 Cb 0.23 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1p3u n LEU 142 CO 0.19 0.19 0.88 0.00 -1.33 0.00 0.00 177.39 177.33 1p3u s ALA 143 N -2.31 2.64 0.52 -1.18 0.00 -1.09 -4.67 121.76 115.67 1p3u s ALA 143 Ca 0.07 1.11 -0.21 0.00 0.00 0.00 0.00 51.96 52.93 1p3u s ALA 143 Cb 0.11 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1p3u s ALA 143 CO 0.57 -1.21 1.20 -1.25 0.00 0.00 0.00 175.76 175.07 1p3u s PRO 144 N -3.16 3.37 0.38 0.00 0.04 -1.26 -4.96 135.00 129.42 1p3u s PRO 144 Ca 0.75 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 63.34 1p3u s PRO 144 Cb -0.34 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.93 1p3u s PRO 144 CO 0.38 -0.88 1.41 -1.58 0.04 0.00 0.00 177.00 176.37 1p3u s HIS 145 N -1.57 2.69 0.46 0.56 2.46 -1.26 -4.86 115.29 113.77 1p3u s HIS 145 Ca 0.70 1.27 0.28 0.00 0.47 0.00 0.00 55.06 57.78 1p3u s HIS 145 Cb -0.30 -3.88 1.33 0.00 -0.13 0.00 0.00 32.58 29.60 1p3u s HIS 145 CO 0.35 -2.62 1.74 -1.35 -2.47 0.00 0.00 174.74 170.39 1p3u h PRO 146 N 2.91 0.19 -0.00 2.88 0.11 -2.02 0.73 132.00 136.80 1p3u h PRO 146 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1p3u h PRO 146 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1p3u h PRO 146 CO 0.64 0.13 -0.02 -0.25 -0.21 0.00 0.00 178.00 178.29 1p3u n ASP 147 N -4.48 0.16 0.00 -2.05 10.43 -1.26 -4.99 116.55 114.35 1p3u n ASP 147 Ca 0.29 -0.69 0.00 0.00 2.57 0.00 0.00 54.79 56.96 1p3u n ASP 147 Cb 1.16 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 44.01 1p3u n ASP 147 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1p3u n GLY 148 N 1.14 2.16 0.07 0.44 0.00 0.25 -4.41 105.19 104.85 1p3u n GLY 148 Ca 0.19 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 1p3u n GLY 148 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1p3u h ARG 149 N 0.00 -0.04 -0.02 1.61 3.08 -1.92 -1.40 114.38 115.70 1p3u h ARG 149 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p3u h ARG 149 Cb 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1p3u h ARG 149 CO 0.00 -0.02 0.01 0.78 -1.07 0.00 0.00 179.97 179.66 1p3u h GLY 150 N -0.04 0.04 0.98 0.04 0.00 -1.91 -1.30 103.07 100.87 1p3u h GLY 150 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1p3u h GLY 150 CO -0.06 0.02 0.49 0.50 0.00 0.00 0.00 176.54 177.50 1p3u h LYS 151 N -0.16 0.97 -0.58 4.80 1.79 -1.76 0.17 116.57 121.81 1p3u h LYS 151 Ca 0.01 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 1p3u h LYS 151 Cb 0.20 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1p3u h LYS 151 CO -0.00 0.64 0.06 1.25 -1.08 0.00 0.00 179.45 180.32 1p3u h HIS 152 N 1.00 1.05 -0.19 -1.35 2.76 -1.20 -2.85 115.15 114.37 1p3u h HIS 152 Ca 0.28 -0.16 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1p3u h HIS 152 Cb -0.09 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.58 1p3u h HIS 152 CO -0.02 0.93 -0.07 2.35 -1.30 0.00 0.00 177.93 179.81 1p3u h TRP 153 N 0.87 0.45 -0.73 5.26 2.91 -0.87 -2.49 115.95 121.35 1p3u h TRP 153 Ca 0.17 -0.10 0.05 0.00 1.13 0.00 0.00 58.89 60.13 1p3u h TRP 153 Cb 0.46 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.97 1p3u h TRP 153 CO 0.03 0.67 0.48 0.00 -1.03 0.00 0.00 178.44 178.59 1p3u h ARG 154 N 0.09 0.81 -0.32 2.65 3.08 -0.96 0.24 114.38 119.98 1p3u h ARG 154 Ca 0.05 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1p3u h ARG 154 Cb 0.54 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1p3u h ARG 154 CO 0.02 0.54 -0.33 0.00 -1.07 0.00 0.00 179.97 179.14 1p3u h ALA 155 N 1.59 0.83 -0.40 0.04 0.00 -1.44 -2.26 119.26 117.61 1p3u h ALA 155 Ca 0.30 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1p3u h ALA 155 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1p3u h ALA 155 CO -0.09 0.64 -0.12 0.35 0.00 0.00 0.00 179.25 180.03 1p3u h PHE 156 N 0.59 0.89 -0.68 0.00 3.57 -0.65 -3.00 116.94 117.66 1p3u h PHE 156 Ca 0.06 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 1p3u h PHE 156 Cb 0.84 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1p3u h PHE 156 CO 0.04 0.93 0.39 0.28 -2.23 0.00 0.00 178.31 177.72 1p3u h VAL 157 N 0.60 1.20 -0.14 1.41 2.07 -0.42 -1.32 116.25 119.65 1p3u h VAL 157 Ca 0.10 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1p3u h VAL 157 Cb 0.66 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1p3u h VAL 157 CO 0.04 0.21 0.04 -0.33 0.02 0.00 0.00 177.57 177.56 1p3u h GLU 158 N 0.94 0.11 -0.71 1.57 4.39 -1.28 -0.98 114.58 118.62 1p3u h GLU 158 Ca 0.24 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1p3u h GLU 158 Cb -0.00 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1p3u h GLU 158 CO -0.04 0.07 0.44 0.45 -1.16 0.00 0.00 179.01 178.77 1p3u h HIS 159 N 0.11 0.91 -0.32 4.33 3.86 -1.29 0.64 115.15 123.40 1p3u h HIS 159 Ca 0.06 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1p3u h HIS 159 Cb 0.04 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 1p3u h HIS 159 CO -0.11 0.60 0.19 -0.07 0.86 0.00 0.00 177.93 179.40 1p3u h LEU 160 N 0.96 0.31 -1.19 2.43 3.38 -0.89 -1.88 115.31 118.43 1p3u h LEU 160 Ca 0.26 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1p3u h LEU 160 Cb -0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1p3u h LEU 160 CO -0.05 0.23 -0.33 0.78 0.09 0.00 0.00 178.44 179.16 1p3u h ASN 161 N 0.39 0.13 0.31 -0.43 -0.26 -0.90 -2.67 115.58 112.15 1p3u h ASN 161 Ca 0.12 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1p3u h ASN 161 Cb -0.01 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1p3u h ASN 161 CO -0.05 0.46 0.00 0.00 -1.06 0.00 0.00 177.43 176.78 1p3u n ALA 162 N -2.48 2.19 0.27 -0.83 0.00 0.19 -2.19 120.51 117.67 1p3u n ALA 162 Ca -0.01 -0.11 0.17 0.00 0.00 0.00 0.00 53.44 53.48 1p3u n ALA 162 Cb 0.40 -1.36 0.65 0.00 0.00 0.00 0.00 19.45 19.13 1p3u n ALA 162 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1p3u h LEU 163 N 0.00 0.00 -1.71 0.00 3.38 -1.09 -3.47 115.31 112.42 1p3u h LEU 163 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1p3u h LEU 163 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1p3u h LEU 163 CO 0.00 0.00 -0.86 0.59 0.09 0.00 0.00 178.44 178.27 1p3u n ASN 164 N -3.09 -1.21 -4.77 -0.43 3.02 -0.93 -4.91 115.26 102.93 1p3u n ASN 164 Ca 0.01 -0.94 -0.40 0.00 -0.03 0.00 0.00 54.58 53.22 1p3u n ASN 164 Cb 0.32 -3.34 -0.02 0.00 -0.61 0.00 0.00 39.78 36.14 1p3u n ASN 164 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1p3u s LEU 165 N -6.96 4.33 0.86 3.41 1.43 -1.26 -5.00 118.68 115.50 1p3u s LEU 165 Ca 0.14 2.54 -0.11 0.00 -1.03 0.00 0.00 54.13 55.67 1p3u s LEU 165 Cb -0.07 -3.80 0.11 0.00 0.03 0.00 0.00 46.19 42.46 1p3u s LEU 165 CO 0.87 -0.60 1.09 0.42 0.23 0.00 0.00 176.35 178.36 1p3u s THR 166 N -1.24 2.83 0.39 5.49 -4.23 -1.26 -4.70 115.64 112.92 1p3u s THR 166 Ca 0.52 0.27 0.11 0.00 -1.18 0.00 0.00 61.69 61.41 1p3u s THR 166 Cb -0.36 -2.73 0.33 0.00 1.34 0.00 0.00 72.50 71.08 1p3u s THR 166 CO 0.47 -0.35 1.92 -0.65 -0.54 0.00 0.00 174.62 175.46 1p3u h PRO 167 N -1.45 0.56 -0.55 3.99 0.11 -1.99 0.66 132.00 133.33 1p3u h PRO 167 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1p3u h PRO 167 Cb 1.27 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1p3u h PRO 167 CO 0.53 0.37 0.03 0.93 -0.21 0.00 0.00 178.00 179.65 1p3u h GLU 168 N 0.58 0.95 -0.37 1.05 3.07 -2.01 -2.29 114.58 115.55 1p3u h GLU 168 Ca 0.38 -0.29 -0.14 0.00 -0.50 0.00 0.00 59.36 58.81 1p3u h GLU 168 Cb 0.66 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1p3u h GLU 168 CO -0.14 0.94 -0.34 0.00 -1.40 0.00 0.00 179.01 178.07 1p3u h ALA 169 N 0.97 0.70 -0.66 3.43 0.00 -1.49 -3.00 119.26 119.20 1p3u h ALA 169 Ca 0.16 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1p3u h ALA 169 Cb 0.49 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1p3u h ALA 169 CO 0.02 0.67 0.39 0.93 0.00 0.00 0.00 179.25 181.26 1p3u h GLU 170 N 0.71 0.73 -0.70 0.00 5.08 -0.74 -1.14 114.58 118.52 1p3u h GLU 170 Ca 0.07 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1p3u h GLU 170 Cb 0.90 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 1p3u h GLU 170 CO 0.08 0.48 0.33 0.00 -1.00 0.00 0.00 179.01 178.90 1p3u h ALA 171 N 1.31 0.96 -0.41 3.43 0.00 -1.28 0.31 119.26 123.58 1p3u h ALA 171 Ca 0.28 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1p3u h ALA 171 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1p3u h ALA 171 CO -0.14 -0.10 -0.09 0.93 0.00 0.00 0.00 179.25 179.86 1p3u h GLU 172 N 0.55 0.78 -0.46 0.00 5.08 -1.36 -1.27 114.58 117.89 1p3u h GLU 172 Ca 0.35 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1p3u h GLU 172 Cb 0.41 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1p3u h GLU 172 CO -0.29 0.91 0.22 0.00 -1.00 0.00 0.00 179.01 178.84 1p3u h ALA 173 N 0.85 0.59 -0.76 3.43 0.00 -0.25 0.87 119.26 124.00 1p3u h ALA 173 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1p3u h ALA 173 Cb 0.61 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1p3u h ALA 173 CO 0.04 0.16 0.42 0.82 0.00 0.00 0.00 179.25 180.68 1p3u h ILE 174 N 0.60 1.23 -0.26 0.00 2.04 -0.35 0.13 117.51 120.90 1p3u h ILE 174 Ca 0.16 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1p3u h ILE 174 Cb 0.12 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1p3u h ILE 174 CO -0.02 0.25 -0.03 -0.61 0.00 0.00 0.00 178.15 177.74 1p3u h GLN 175 N 1.05 0.40 -0.36 2.37 5.75 -0.77 -0.52 115.11 123.02 1p3u h GLN 175 Ca 0.27 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.65 1p3u h GLN 175 Cb 0.03 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1p3u h GLN 175 CO -0.04 0.46 0.07 0.78 -2.65 0.00 0.00 178.83 177.44 1p3u h GLY 176 N 0.76 0.64 1.04 2.39 0.00 0.89 -0.94 103.07 107.84 1p3u h GLY 176 Ca 0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1p3u h GLY 176 CO 0.01 0.39 0.48 0.00 0.00 0.00 0.00 176.54 177.42 1p3u h ALA 177 N 0.92 1.16 -0.64 3.60 0.00 -0.02 0.14 119.26 124.42 1p3u h ALA 177 Ca 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1p3u h ALA 177 Cb 0.34 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1p3u h ALA 177 CO 0.00 0.67 0.18 0.00 0.00 0.00 0.00 179.25 180.10 1p3u h ARG 178 N 1.25 1.00 0.00 0.00 3.08 -0.83 -2.09 114.38 116.79 1p3u h ARG 178 Ca 0.31 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 1p3u h ARG 178 Cb 0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1p3u h ARG 178 CO -0.05 0.87 -0.56 0.93 -1.07 0.00 0.00 179.97 180.10 1p3u h GLU 179 N 0.96 0.00 -0.16 0.04 5.08 -0.44 -1.66 114.58 118.38 1p3u h GLU 179 Ca 0.21 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1p3u h GLU 179 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1p3u h GLU 179 CO -0.00 0.56 -0.02 0.00 -1.00 0.00 0.00 179.01 178.55 1p3u h ALA 180 N 1.44 0.22 -0.77 3.43 0.00 -0.53 0.30 119.26 123.35 1p3u h ALA 180 Ca -0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1p3u h ALA 180 Cb 1.04 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1p3u h ALA 180 CO 0.07 -0.05 0.28 0.74 0.00 0.00 0.00 179.25 180.30 1p3u h PHE 181 N 0.03 1.20 -0.43 0.00 -1.00 -1.33 -1.25 116.94 114.16 1p3u h PHE 181 Ca 0.04 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1p3u h PHE 181 Cb 0.42 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 1p3u h PHE 181 CO 0.04 0.92 0.24 0.00 -1.61 0.00 0.00 178.31 177.90 1p3u h ALA 182 N 1.17 0.55 -0.83 2.45 0.00 -1.10 -2.27 119.26 119.22 1p3u h ALA 182 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1p3u h ALA 182 Cb 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1p3u h ALA 182 CO -0.02 0.07 0.48 0.35 0.00 0.00 0.00 179.25 180.13 1p3u h PHE 183 N 0.56 1.12 -0.41 0.00 3.57 -0.61 -1.80 116.94 119.36 1p3u h PHE 183 Ca 0.15 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1p3u h PHE 183 Cb 0.05 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 38.37 1p3u h PHE 183 CO -0.02 0.77 0.07 -0.92 -2.23 0.00 0.00 178.31 175.97 1p3u h TYR 184 N 1.15 0.11 -0.22 0.41 3.20 -0.73 -0.77 116.97 120.12 1p3u h TYR 184 Ca 0.30 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 1p3u h TYR 184 Cb -0.00 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1p3u h TYR 184 CO 0.00 -0.01 -0.21 0.87 -1.64 0.00 0.00 178.16 177.18 1p3u h LYS 185 N 0.19 0.39 -0.13 1.82 1.57 -1.02 -0.15 116.57 119.26 1p3u h LYS 185 Ca 0.20 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1p3u h LYS 185 Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1p3u h LYS 185 CO -0.28 0.59 0.07 0.28 -0.57 0.00 0.00 179.45 179.54 1p3u h VAL 186 N 0.36 1.08 -0.62 0.50 2.07 -0.41 -1.05 116.25 118.17 1p3u h VAL 186 Ca 0.06 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1p3u h VAL 186 Cb 0.57 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1p3u h VAL 186 CO 0.04 0.07 0.23 0.58 0.02 0.00 0.00 177.57 178.51 1p3u h VAL 187 N 0.12 1.24 -0.26 2.57 2.07 -0.89 -2.41 116.25 118.69 1p3u h VAL 187 Ca 0.04 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1p3u h VAL 187 Cb 0.05 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1p3u h VAL 187 CO -0.01 0.30 0.11 0.25 0.02 0.00 0.00 177.57 178.24 1p3u h LEU 188 N 0.88 0.15 -0.87 2.57 6.46 -0.82 0.08 115.31 123.76 1p3u h LEU 188 Ca 0.21 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1p3u h LEU 188 Cb 0.24 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 1p3u h LEU 188 CO -0.01 0.12 0.58 0.03 -0.62 0.00 0.00 178.44 178.54 1p3u h ARG 189 N 0.24 1.15 -0.38 1.25 3.08 -1.04 0.29 114.38 118.98 1p3u h ARG 189 Ca 0.11 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1p3u h ARG 189 Cb 0.05 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1p3u h ARG 189 CO -0.09 0.76 -0.19 0.93 -1.07 0.00 0.00 179.97 180.30 1p3u h GLU 190 N 1.18 0.80 -0.21 0.04 5.08 -1.07 0.40 114.58 120.80 1p3u h GLU 190 Ca 0.32 -0.35 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1p3u h GLU 190 Cb -0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1p3u h GLU 190 CO -0.07 0.98 -0.32 1.15 -1.00 0.00 0.00 179.01 179.75 1p3u h THR 191 N 0.59 1.28 -0.72 1.13 2.02 -0.61 -2.95 112.91 113.65 1p3u h THR 191 Ca 0.08 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1p3u h THR 191 Cb 0.75 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1p3u h THR 191 CO 0.06 0.43 0.00 0.49 0.37 0.00 0.00 175.52 176.87 1p3u n PHE 192 N -4.08 1.07 -3.16 3.16 3.01 0.06 -4.97 117.46 112.54 1p3u n PHE 192 Ca -0.01 -0.52 -0.18 0.00 1.01 0.00 0.00 57.45 57.76 1p3u n PHE 192 Cb 0.44 -0.04 0.05 0.00 -0.01 0.00 0.00 39.48 39.92 1p3u n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p3u n GLY 193 N 1.57 -0.18 3.96 1.37 0.00 -0.51 -5.03 105.19 106.37 1p3u n GLY 193 Ca 0.25 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 1p3u n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3u s LEU 194 N -5.53 4.19 0.77 0.99 1.43 0.13 -5.02 118.68 115.65 1p3u s LEU 194 Ca 0.37 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 1p3u s LEU 194 Cb -0.16 -2.78 0.06 0.00 0.03 0.00 0.00 46.19 43.33 1p3u s LEU 194 CO 0.46 -0.15 1.09 0.00 0.23 0.00 0.00 176.35 177.99 1p3u s ALA 195 N -2.04 2.23 0.43 4.21 0.00 -1.26 -4.54 121.76 120.80 1p3u s ALA 195 Ca 0.36 0.29 -0.25 0.00 0.00 0.00 0.00 51.96 52.36 1p3u s ALA 195 Cb -0.09 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 1p3u s ALA 195 CO 0.29 -1.79 1.34 0.00 0.00 0.00 0.00 175.76 175.60 1p3u s ALA 196 N -2.87 3.20 -0.81 0.00 0.00 -1.26 -2.13 121.76 117.89 1p3u s ALA 196 Ca 0.62 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1p3u s ALA 196 Cb -0.17 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1p3u s ALA 196 CO 0.56 -0.99 0.00 -0.25 0.00 0.00 0.00 175.76 175.08 1p3u n ASP 197 N -0.11 -5.01 -4.77 0.00 8.00 -1.26 -4.97 116.55 108.44 1p3u n ASP 197 Ca 0.05 0.19 -0.37 0.00 0.71 0.00 0.00 54.79 55.37 1p3u n ASP 197 Cb 0.43 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 1p3u n ASP 197 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p3u s ALA 198 N -1.92 2.87 0.26 2.24 0.00 -0.90 -5.03 121.76 119.29 1p3u s ALA 198 Ca 0.00 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1p3u s ALA 198 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1p3u s ALA 198 CO 0.00 -0.80 0.13 -1.21 0.00 0.00 0.00 175.76 173.88 1p3u s GLU 199 N -2.87 1.44 0.82 0.00 0.41 -1.26 -5.03 118.70 112.22 1p3u s GLU 199 Ca 0.67 -1.80 -0.10 0.00 -0.41 0.00 0.00 54.97 53.33 1p3u s GLU 199 Cb -0.29 -0.06 0.09 0.00 -1.78 0.00 0.00 34.13 32.08 1p3u s GLU 199 CO 0.35 -0.39 1.11 0.00 -0.49 0.00 0.00 175.26 175.84 1p3u s ALA 200 N -3.78 1.99 0.14 5.21 0.00 -1.26 -4.88 121.76 119.17 1p3u s ALA 200 Ca 0.37 0.33 -0.35 0.00 0.00 0.00 0.00 51.96 52.32 1p3u s ALA 200 Cb 0.06 -3.32 -0.15 0.00 0.00 0.00 0.00 23.12 19.72 1p3u s ALA 200 CO 0.15 -2.07 1.41 -2.30 0.00 0.00 0.00 175.76 172.95 1p3u n PRO 201 N -3.74 1.57 -1.82 0.00 -0.02 -1.26 -4.83 135.00 124.90 1p3u n PRO 201 Ca 0.10 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 1p3u n PRO 201 Cb 0.53 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 1p3u n PRO 201 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1p3u s GLU 202 N 0.45 4.14 0.00 -0.52 2.12 -1.26 -2.25 118.70 121.38 1p3u s GLU 202 Ca 0.80 2.54 0.00 0.00 0.36 0.00 0.00 54.97 58.66 1p3u s GLU 202 Cb -0.82 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 30.55 1p3u s GLU 202 CO 0.45 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 1p3u n GLY 203 N 1.59 2.39 3.75 -1.50 0.00 -1.26 -5.05 105.19 105.12 1p3u n GLY 203 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1p3u n GLY 203 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p3u n MET 204 N -1.92 2.57 -4.50 1.61 0.00 -0.95 -5.01 117.12 108.92 1p3u n MET 204 Ca 0.00 0.90 -0.33 0.00 -0.00 0.00 0.00 57.70 58.27 1p3u n MET 204 Cb 0.00 -2.62 -0.11 0.00 0.00 0.00 0.00 33.22 30.50 1p3u n MET 204 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 1p3u s MET 205 N -1.73 2.67 0.00 2.12 -1.94 -1.26 -5.03 119.30 114.13 1p3u s MET 205 Ca 0.56 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.91 1p3u s MET 205 Cb -0.50 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 33.78 1p3u s MET 205 CO 0.60 0.63 0.46 -2.30 -0.01 0.00 0.00 175.02 174.41