#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3t n LEU 9 N 0.00 5.19 -3.99 0.00 4.32 -1.26 -4.82 117.00 116.44 1p3t n LEU 9 Ca 0.00 -2.67 -0.08 0.00 -0.02 0.00 0.00 56.01 53.24 1p3t n LEU 9 Cb 0.00 -0.63 -0.10 0.00 -1.62 0.00 0.00 43.42 41.08 1p3t n LEU 9 CO 0.00 0.74 -0.28 0.42 -1.22 0.00 0.00 177.39 177.05 1p3t s THR 10 N -2.26 0.16 0.06 -5.08 -4.23 -1.26 -5.08 115.64 97.96 1p3t s THR 10 Ca 0.53 -1.35 -0.23 0.00 -1.18 0.00 0.00 61.69 59.46 1p3t s THR 10 Cb 0.37 -1.09 -0.15 0.00 1.34 0.00 0.00 72.50 72.97 1p3t s THR 10 CO 0.21 -0.75 1.56 0.15 -0.54 0.00 0.00 174.62 175.25 1p3t h PHE 11 N 3.50 0.09 -0.41 3.99 3.57 -1.92 -1.83 116.94 123.94 1p3t h PHE 11 Ca -0.33 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1p3t h PHE 11 Cb 1.17 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1p3t h PHE 11 CO 0.54 0.26 0.26 0.00 -2.23 0.00 0.00 178.31 177.14 1p3t h ALA 12 N 0.82 1.69 0.02 2.41 0.00 -1.92 -1.84 119.26 120.44 1p3t h ALA 12 Ca 0.02 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1p3t h ALA 12 Cb 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1p3t h ALA 12 CO -0.00 0.28 -0.97 0.87 0.00 0.00 0.00 179.25 179.43 1p3t h LYS 13 N 0.55 0.34 -0.48 0.00 1.57 -1.95 -2.99 116.57 113.61 1p3t h LYS 13 Ca 0.15 -0.39 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 1p3t h LYS 13 Cb -0.05 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1p3t h LYS 13 CO -0.03 1.09 -0.14 0.00 -0.57 0.00 0.00 179.45 179.80 1p3t h ARG 14 N 0.18 0.92 0.41 3.15 3.08 -0.80 -0.76 114.38 120.56 1p3t h ARG 14 Ca -0.08 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 1p3t h ARG 14 Cb 1.61 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.58 1p3t h ARG 14 CO 0.16 0.99 -0.39 -0.07 -1.07 0.00 0.00 179.97 179.60 1p3t h LEU 15 N 0.82 -1.05 -0.56 3.04 3.38 -1.37 0.25 115.31 119.82 1p3t h LEU 15 Ca 0.13 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.28 1p3t h LEU 15 Cb 0.68 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 1p3t h LEU 15 CO 0.05 -0.54 0.14 0.50 0.09 0.00 0.00 178.44 178.68 1p3t h LYS 16 N -0.81 0.28 0.06 1.13 3.64 -1.44 -1.45 116.57 117.98 1p3t h LYS 16 Ca -0.04 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1p3t h LYS 16 Cb 0.72 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1p3t h LYS 16 CO -0.05 0.19 -0.12 0.00 -2.27 0.00 0.00 179.45 177.19 1p3t h ALA 17 N 1.42 -0.19 0.00 5.00 0.00 -0.71 0.34 119.26 125.12 1p3t h ALA 17 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1p3t h ALA 17 Cb 0.39 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1p3t h ALA 17 CO -0.34 -0.64 0.00 -0.25 0.00 0.00 0.00 179.25 178.02 1p3t n ASP 18 N -5.25 0.00 0.00 0.00 8.00 0.04 -3.56 116.55 115.78 1p3t n ASP 18 Ca -0.06 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1p3t n ASP 18 Cb 0.17 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1p3t n ASP 18 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1p3t n THR 19 N -1.32 0.14 -0.30 -3.53 -2.24 -0.58 -4.78 114.28 101.67 1p3t n THR 19 Ca 0.10 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.35 1p3t n THR 19 Cb 0.19 1.08 0.07 0.00 -2.10 0.00 0.00 70.33 69.57 1p3t n THR 19 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1p3t h THR 20 N 0.24 1.24 0.35 4.28 2.02 -0.99 0.40 112.91 120.45 1p3t h THR 20 Ca 0.00 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1p3t h THR 20 Cb 0.18 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1p3t h THR 20 CO 0.00 0.25 -0.17 0.00 0.37 0.00 0.00 175.52 175.98 1p3t h ALA 21 N 1.25 -0.47 -0.57 6.16 0.00 -1.86 0.11 119.26 123.89 1p3t h ALA 21 Ca 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1p3t h ALA 21 Cb -0.01 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1p3t h ALA 21 CO -0.05 -0.67 0.24 -0.24 0.00 0.00 0.00 179.25 178.53 1p3t h VAL 22 N -0.65 1.20 -0.58 0.00 3.04 -1.85 -1.50 116.25 115.91 1p3t h VAL 22 Ca -0.05 -0.60 0.02 0.00 -1.01 0.00 0.00 66.70 65.06 1p3t h VAL 22 Cb 0.47 0.50 -0.03 0.00 -2.01 0.00 0.00 31.29 30.22 1p3t h VAL 22 CO 0.08 0.24 0.37 -0.74 -1.01 0.00 0.00 177.57 176.51 1p3t h HIS 23 N 0.80 0.69 -0.29 3.17 6.17 0.11 -1.58 115.15 124.23 1p3t h HIS 23 Ca 0.20 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.25 1p3t h HIS 23 Cb 0.13 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 29.82 1p3t h HIS 23 CO 0.01 0.41 -0.02 -0.44 0.71 0.00 0.00 177.93 178.60 1p3t h ASP 24 N 0.74 0.42 0.25 3.26 3.32 0.04 -1.05 116.42 123.40 1p3t h ASP 24 Ca 0.22 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 1p3t h ASP 24 Cb -0.03 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1p3t h ASP 24 CO -0.08 0.50 -0.32 0.77 -1.72 0.00 0.00 179.24 178.39 1p3t h SER 25 N 0.43 0.12 -0.07 6.45 4.64 -0.52 -0.67 113.55 123.93 1p3t h SER 25 Ca 0.09 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1p3t h SER 25 Cb 0.32 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1p3t h SER 25 CO 0.01 0.44 -0.12 0.58 -0.87 0.00 0.00 176.83 176.87 1p3t h VAL 26 N 0.10 1.40 -0.07 0.95 2.07 -0.31 -1.30 116.25 119.10 1p3t h VAL 26 Ca 0.01 -1.40 0.04 0.00 0.82 0.00 0.00 66.70 66.17 1p3t h VAL 26 Cb 0.63 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 1p3t h VAL 26 CO 0.05 0.39 -0.19 -0.78 0.02 0.00 0.00 177.57 177.05 1p3t h ASP 27 N -0.27 -0.59 -0.63 0.57 1.82 -1.02 0.05 116.42 116.36 1p3t h ASP 27 Ca 0.00 0.09 0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1p3t h ASP 27 Cb 0.69 0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.93 1p3t h ASP 27 CO 0.03 -0.25 0.41 0.78 -1.61 0.00 0.00 179.24 178.59 1p3t h ASN 28 N -0.28 0.69 -0.42 2.28 2.35 -1.14 -1.76 115.58 117.31 1p3t h ASN 28 Ca 0.08 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1p3t h ASN 28 Cb 0.39 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1p3t h ASN 28 CO -0.23 0.49 0.07 0.25 -1.65 0.00 0.00 177.43 176.36 1p3t h LEU 29 N 0.82 0.67 -0.06 1.61 5.85 -0.75 0.23 115.31 123.69 1p3t h LEU 29 Ca 0.24 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1p3t h LEU 29 Cb -0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1p3t h LEU 29 CO -0.07 0.77 0.02 0.58 -0.34 0.00 0.00 178.44 179.40 1p3t h VAL 30 N 0.56 0.99 -0.74 1.05 2.07 -0.82 -1.90 116.25 117.47 1p3t h VAL 30 Ca 0.13 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 1p3t h VAL 30 Cb 0.38 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1p3t h VAL 30 CO 0.01 0.01 0.31 0.24 0.02 0.00 0.00 177.57 178.16 1p3t h MET 31 N 0.05 1.08 -0.43 1.57 2.86 -1.22 -2.53 114.93 116.31 1p3t h MET 31 Ca 0.02 -0.18 0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1p3t h MET 31 Cb 0.01 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1p3t h MET 31 CO -0.02 0.86 0.30 1.03 1.06 0.00 0.00 176.91 180.14 1p3t h SER 32 N 1.06 0.11 -0.19 1.22 0.87 0.23 -1.89 113.55 114.96 1p3t h SER 32 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1p3t h SER 32 Cb 0.17 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1p3t h SER 32 CO -0.02 0.07 0.00 1.33 -0.53 0.00 0.00 176.83 177.67 1p3t n VAL 33 N -4.44 0.25 -3.40 2.23 0.24 -0.91 -4.98 118.33 107.32 1p3t n VAL 33 Ca 0.07 -0.34 -0.15 0.00 -2.04 0.00 0.00 64.34 61.88 1p3t n VAL 33 Cb 0.42 0.27 0.02 0.00 -1.47 0.00 0.00 33.84 33.08 1p3t n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p3t n GLN 34 N 0.26 -1.44 0.23 7.34 1.13 -0.71 -4.90 117.38 119.29 1p3t n GLN 34 Ca 0.14 1.02 0.07 0.00 -1.94 0.00 0.00 57.00 56.30 1p3t n GLN 34 Cb 0.29 -4.54 0.56 0.00 0.11 0.00 0.00 30.24 26.66 1p3t n GLN 34 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1p3t h PRO 35 N -0.39 0.00 -0.44 -1.09 0.11 -1.82 -2.94 132.00 125.43 1p3t h PRO 35 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1p3t h PRO 35 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p3t h PRO 35 CO 0.37 0.18 0.00 1.19 -0.21 0.00 0.00 178.00 179.53 1p3t n PHE 36 N -4.11 1.18 0.32 0.65 3.01 -1.26 -1.86 117.46 115.38 1p3t n PHE 36 Ca -0.02 -0.70 0.14 0.00 1.01 0.00 0.00 57.45 57.87 1p3t n PHE 36 Cb 0.25 -0.27 0.39 0.00 -0.01 0.00 0.00 39.48 39.85 1p3t n PHE 36 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 1p3t h VAL 37 N 2.86 0.00 -2.07 -4.37 3.04 -1.89 -3.47 116.25 110.35 1p3t h VAL 37 Ca 0.00 -0.70 0.17 0.00 -1.01 0.00 0.00 66.70 65.16 1p3t h VAL 37 Cb 1.39 1.68 -0.14 0.00 -2.01 0.00 0.00 31.29 32.21 1p3t h VAL 37 CO 0.22 0.00 0.58 -0.94 -1.01 0.00 0.00 177.57 176.42 1p3t s SER 38 N -5.62 -0.25 0.22 3.17 1.04 -1.26 -5.00 113.70 105.99 1p3t s SER 38 Ca 0.06 -0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.29 1p3t s SER 38 Cb 0.08 0.34 0.17 0.00 0.10 0.00 0.00 66.02 66.71 1p3t s SER 38 CO 0.60 -0.58 1.88 0.50 0.98 0.00 0.00 173.24 176.61 1p3t h LYS 39 N 2.00 1.07 0.07 4.02 3.64 -1.91 0.10 116.57 125.56 1p3t h LYS 39 Ca -0.21 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.12 1p3t h LYS 39 Cb 1.22 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 1p3t h LYS 39 CO 0.28 0.72 -0.27 1.49 -2.27 0.00 0.00 179.45 179.39 1p3t h GLU 40 N 1.09 -0.44 -0.54 1.90 4.81 -1.95 0.33 114.58 119.78 1p3t h GLU 40 Ca 0.29 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.48 1p3t h GLU 40 Cb -0.10 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1p3t h GLU 40 CO -0.06 -0.30 0.05 -0.91 -0.73 0.00 0.00 179.01 177.07 1p3t h ASN 41 N -0.46 0.83 -0.83 1.04 4.21 -1.75 -2.42 115.58 116.20 1p3t h ASN 41 Ca 0.04 -0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.37 1p3t h ASN 41 Cb 0.51 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 37.45 1p3t h ASN 41 CO -0.19 0.86 0.53 0.22 -1.29 0.00 0.00 177.43 177.56 1p3t h TYR 42 N 0.82 1.06 -0.88 1.19 3.20 -0.05 -0.24 116.97 122.07 1p3t h TYR 42 Ca 0.16 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.08 1p3t h TYR 42 Cb 0.41 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 1p3t h TYR 42 CO 0.02 0.68 0.57 0.82 -1.64 0.00 0.00 178.16 178.62 1p3t h ILE 43 N 1.13 1.14 -0.60 1.81 2.04 -0.52 0.11 117.51 122.61 1p3t h ILE 43 Ca 0.30 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1p3t h ILE 43 Cb -0.10 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 35.90 1p3t h ILE 43 CO -0.06 0.20 0.21 0.11 0.00 0.00 0.00 178.15 178.61 1p3t h LYS 44 N 1.11 0.90 -0.69 2.37 1.57 -0.74 -1.02 116.57 120.06 1p3t h LYS 44 Ca 0.35 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1p3t h LYS 44 Cb 0.01 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1p3t h LYS 44 CO -0.12 0.76 0.20 0.35 -0.57 0.00 0.00 179.45 180.07 1p3t h PHE 45 N 0.88 1.12 -0.45 -1.35 3.57 0.69 -2.20 116.94 119.20 1p3t h PHE 45 Ca 0.20 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1p3t h PHE 45 Cb 0.22 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1p3t h PHE 45 CO 0.01 0.90 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.86 1p3t h LEU 46 N 1.04 0.76 -0.53 0.59 3.38 -0.10 -1.46 115.31 119.00 1p3t h LEU 46 Ca 0.22 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1p3t h LEU 46 Cb 0.32 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1p3t h LEU 46 CO -0.00 0.87 0.15 0.11 0.09 0.00 0.00 178.44 179.65 1p3t h LYS 47 N 0.72 0.83 0.13 1.13 1.57 -0.88 0.29 116.57 120.36 1p3t h LYS 47 Ca 0.13 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1p3t h LYS 47 Cb 0.53 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1p3t h LYS 47 CO 0.03 0.78 -0.06 1.25 -0.57 0.00 0.00 179.45 180.88 1p3t h LEU 48 N 0.73 -0.15 -0.25 2.94 5.85 -1.23 -1.57 115.31 121.64 1p3t h LEU 48 Ca 0.17 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1p3t h LEU 48 Cb 0.31 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1p3t h LEU 48 CO -0.00 -0.10 0.02 1.56 -0.34 0.00 0.00 178.44 179.58 1p3t h GLN 49 N -0.18 0.10 -0.30 1.25 1.08 -1.06 -1.92 115.11 114.08 1p3t h GLN 49 Ca -0.02 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.24 1p3t h GLN 49 Cb 0.14 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.47 1p3t h GLN 49 CO 0.03 0.06 -0.38 1.03 -0.95 0.00 0.00 178.83 178.62 1p3t h SER 50 N 0.10 -1.24 -0.23 1.46 0.87 -0.12 -0.66 113.55 113.73 1p3t h SER 50 Ca 0.12 0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.92 1p3t h SER 50 Cb 0.14 0.54 -0.05 0.00 -0.44 0.00 0.00 62.40 62.59 1p3t h SER 50 CO -0.18 -0.37 -0.11 0.58 -0.53 0.00 0.00 176.83 176.22 1p3t h VAL 51 N -0.36 0.65 -0.40 2.23 2.07 -0.89 0.62 116.25 120.17 1p3t h VAL 51 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 1p3t h VAL 51 Cb 0.58 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1p3t h VAL 51 CO -0.49 0.00 0.24 0.15 0.02 0.00 0.00 177.57 177.50 1p3t h PHE 52 N -0.08 0.46 0.00 1.57 3.57 -0.77 -0.94 116.94 120.76 1p3t h PHE 52 Ca 0.12 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 1p3t h PHE 52 Cb 0.26 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1p3t h PHE 52 CO -0.28 0.27 -0.54 0.45 -2.23 0.00 0.00 178.31 175.98 1p3t h HIS 53 N 0.50 0.00 -0.63 0.41 3.86 -0.93 -2.28 115.15 116.07 1p3t h HIS 53 Ca 0.16 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.29 1p3t h HIS 53 Cb -0.01 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1p3t h HIS 53 CO -0.07 0.54 0.09 -0.22 0.86 0.00 0.00 177.93 179.13 1p3t h LYS 54 N 0.00 1.04 0.00 2.45 1.63 -0.46 -2.18 116.57 119.04 1p3t h LYS 54 Ca -0.01 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1p3t h LYS 54 Cb 1.01 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1p3t h LYS 54 CO 0.07 0.97 0.00 0.00 -3.45 0.00 0.00 179.45 177.04 1p3t h ALA 55 N 1.11 1.00 -0.20 5.00 0.00 -0.59 -2.39 119.26 123.19 1p3t h ALA 55 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1p3t h ALA 55 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1p3t h ALA 55 CO 0.01 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.59 1p3t n VAL 56 N -2.77 0.58 -0.10 0.00 0.24 -1.02 -4.62 118.33 110.65 1p3t n VAL 56 Ca -0.00 -0.79 -0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1p3t n VAL 56 Cb 0.19 0.80 0.27 0.00 -1.47 0.00 0.00 33.84 33.63 1p3t n VAL 56 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1p3t h ASP 57 N 1.98 0.68 1.06 -1.34 1.82 -0.86 -1.68 116.42 118.08 1p3t h ASP 57 Ca 0.00 -0.08 -0.09 0.00 -0.39 0.00 0.00 57.03 56.47 1p3t h ASP 57 Cb 0.60 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 1p3t h ASP 57 CO 0.00 0.61 -0.41 1.12 -1.61 0.00 0.00 179.24 178.95 1p3t h HIS 58 N 0.74 0.00 -0.07 0.28 2.07 -1.82 -3.00 115.15 113.35 1p3t h HIS 58 Ca 0.18 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.46 1p3t h HIS 58 Cb 0.15 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.14 1p3t h HIS 58 CO 0.01 0.41 -0.89 0.82 -3.07 0.00 0.00 177.93 175.21 1p3t h ILE 59 N 0.00 1.31 -0.44 6.12 2.04 -1.63 -2.77 117.51 122.15 1p3t h ILE 59 Ca -0.00 -2.17 -0.08 0.00 1.00 0.00 0.00 64.86 63.61 1p3t h ILE 59 Cb 1.05 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 39.32 1p3t h ILE 59 CO 0.05 0.67 -0.05 1.88 0.00 0.00 0.00 178.15 180.70 1p3t h TYR 60 N 0.40 0.81 -0.39 1.37 -1.99 -1.35 -2.53 116.97 113.30 1p3t h TYR 60 Ca -0.08 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 60.47 1p3t h TYR 60 Cb 1.52 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 40.00 1p3t h TYR 60 CO 0.08 0.78 0.06 1.63 -0.00 0.00 0.00 178.16 180.72 1p3t n LYS 61 N -4.20 3.09 -2.50 4.88 5.02 -1.14 -1.86 118.16 121.45 1p3t n LYS 61 Ca 0.02 -1.87 -0.43 0.00 -2.02 0.00 0.00 58.31 54.00 1p3t n LYS 61 Cb 0.33 -1.92 -0.02 0.00 -0.02 0.00 0.00 35.03 33.39 1p3t n LYS 61 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1p3t s ASP 62 N -0.45 6.68 0.12 4.39 -1.08 -0.95 -4.94 116.67 120.44 1p3t s ASP 62 Ca 0.33 0.95 -0.24 0.00 -0.52 0.00 0.00 52.55 53.07 1p3t s ASP 62 Cb 0.26 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 39.12 1p3t s ASP 62 CO 0.09 -1.12 1.36 0.00 0.52 0.00 0.00 175.17 176.02 1p3t n ALA 63 N 7.66 -0.49 -0.14 3.66 0.00 -1.26 -0.55 120.51 129.39 1p3t n ALA 63 Ca 0.14 0.65 -0.03 0.00 0.00 0.00 0.00 53.44 54.19 1p3t n ALA 63 Cb 0.47 -0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.96 1p3t n ALA 63 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1p3t h GLU 64 N 0.00 0.20 -0.19 0.00 4.81 -1.99 -1.77 114.58 115.65 1p3t h GLU 64 Ca 0.12 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1p3t h GLU 64 Cb 0.31 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1p3t h GLU 64 CO -0.72 0.13 -0.08 -0.07 -0.73 0.00 0.00 179.01 177.55 1p3t h LEU 65 N 0.21 0.28 0.00 1.64 3.38 -1.52 -1.30 115.31 117.99 1p3t h LEU 65 Ca 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1p3t h LEU 65 Cb 0.30 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1p3t h LEU 65 CO -0.31 0.40 0.00 0.59 0.09 0.00 0.00 178.44 179.21 1p3t n ASN 66 N -4.30 0.00 -0.03 -0.43 3.02 0.29 -0.92 115.26 112.89 1p3t n ASN 66 Ca -0.00 -0.21 -0.12 0.00 -0.03 0.00 0.00 54.58 54.21 1p3t n ASN 66 Cb 0.25 -0.18 -0.14 0.00 -0.61 0.00 0.00 39.78 39.09 1p3t n ASN 66 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1p3t n LYS 67 N -1.18 0.67 0.10 3.52 4.76 -0.50 -4.10 118.16 121.43 1p3t n LYS 67 Ca 0.11 0.24 0.12 0.00 -2.87 0.00 0.00 58.31 55.91 1p3t n LYS 67 Cb 0.12 -1.73 0.02 0.00 -1.84 0.00 0.00 35.03 31.61 1p3t n LYS 67 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1p3t h ALA 68 N 0.71 0.50 -3.21 7.82 0.00 -1.41 -3.44 119.26 120.24 1p3t h ALA 68 Ca -0.37 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.08 1p3t h ALA 68 Cb 2.04 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 19.44 1p3t h ALA 68 CO 0.07 0.00 -0.76 0.42 0.00 0.00 0.00 179.25 178.98 1p3t s ILE 69 N -3.33 0.22 0.31 0.00 1.01 -0.10 -4.94 121.20 114.38 1p3t s ILE 69 Ca 0.01 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 1p3t s ILE 69 Cb 0.10 -0.66 -0.10 0.00 0.01 0.00 0.00 42.46 41.81 1p3t s ILE 69 CO 0.78 -0.07 1.33 -2.16 0.00 0.00 0.00 174.94 174.82 1p3t s PRO 70 N 2.01 4.34 -1.10 2.79 0.04 -1.26 -3.22 135.00 138.61 1p3t s PRO 70 Ca 0.02 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1p3t s PRO 70 Cb -0.15 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1p3t s PRO 70 CO -0.07 -0.23 0.00 0.39 0.04 0.00 0.00 177.00 177.13 1p3t n GLU 71 N 1.11 -1.68 -0.14 4.56 -0.58 -1.26 -4.85 120.64 117.80 1p3t n GLU 71 Ca 0.01 0.82 -0.06 0.00 -0.42 0.00 0.00 57.16 57.50 1p3t n GLU 71 Cb 0.42 -5.15 -0.00 0.00 -0.57 0.00 0.00 31.44 26.13 1p3t n GLU 71 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1p3t h LEU 72 N 0.00 -1.01 -1.40 -4.62 5.85 -1.84 -0.57 115.31 111.72 1p3t h LEU 72 Ca -0.21 0.19 0.31 0.00 0.84 0.00 0.00 57.88 59.01 1p3t h LEU 72 Cb 1.09 0.49 -0.10 0.00 0.37 0.00 0.00 40.66 42.51 1p3t h LEU 72 CO 0.31 -0.30 0.72 1.05 -0.34 0.00 0.00 178.44 179.88 1p3t h GLU 73 N -0.21 0.30 0.00 1.25 4.11 -1.68 0.20 114.58 118.54 1p3t h GLU 73 Ca 0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.61 1p3t h GLU 73 Cb 0.52 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1p3t h GLU 73 CO -0.56 0.20 0.00 0.66 0.07 0.00 0.00 179.01 179.38 1p3t n TYR 74 N -4.62 0.00 1.37 2.06 4.02 -0.22 -3.20 117.16 116.57 1p3t n TYR 74 Ca 0.28 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.30 1p3t n TYR 74 Cb 1.02 -0.07 0.48 0.00 -0.02 0.00 0.00 39.34 40.75 1p3t n TYR 74 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1p3t n MET 75 N -1.07 1.07 -2.03 -0.72 2.81 0.69 -4.94 117.12 112.93 1p3t n MET 75 Ca 0.20 -0.58 -0.41 0.00 -1.81 0.00 0.00 57.70 55.10 1p3t n MET 75 Cb 0.13 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.13 1p3t n MET 75 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1p3t s ALA 76 N -2.33 3.56 -2.20 3.04 0.00 -1.19 -4.94 121.76 117.70 1p3t s ALA 76 Ca 0.30 1.33 0.19 0.00 0.00 0.00 0.00 51.96 53.78 1p3t s ALA 76 Cb 0.20 -3.53 0.10 0.00 0.00 0.00 0.00 23.12 19.89 1p3t s ALA 76 CO 0.45 -0.73 1.06 0.54 0.00 0.00 0.00 175.76 177.08 1p3t n ARG 77 N 1.47 1.66 -0.20 0.00 1.74 -1.26 -4.64 116.66 115.43 1p3t n ARG 77 Ca 0.03 -1.39 0.01 0.00 -0.77 0.00 0.00 57.85 55.73 1p3t n ARG 77 Cb 0.41 -1.37 0.10 0.00 -1.02 0.00 0.00 32.46 30.58 1p3t n ARG 77 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1p3t h TYR 78 N 3.22 0.05 -0.20 -1.55 3.20 -1.92 -2.09 116.97 117.69 1p3t h TYR 78 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1p3t h TYR 78 Cb 0.76 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1p3t h TYR 78 CO 0.00 -0.12 0.12 -0.44 -1.64 0.00 0.00 178.16 176.08 1p3t h ASP 79 N 0.17 0.24 -0.89 -2.11 3.32 -1.97 -1.91 116.42 113.27 1p3t h ASP 79 Ca 0.32 -0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.45 1p3t h ASP 79 Cb 0.51 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.93 1p3t h ASP 79 CO -0.48 0.22 0.57 0.00 -1.72 0.00 0.00 179.24 177.83 1p3t h ALA 80 N 1.03 1.77 -0.22 3.45 0.00 -1.73 0.16 119.26 123.72 1p3t h ALA 80 Ca 0.07 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1p3t h ALA 80 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1p3t h ALA 80 CO -0.01 0.00 -0.52 0.28 0.00 0.00 0.00 179.25 179.00 1p3t h VAL 81 N 0.75 1.30 -0.44 0.00 2.07 -1.07 0.95 116.25 119.81 1p3t h VAL 81 Ca 0.44 -1.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 1p3t h VAL 81 Cb 0.63 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1p3t h VAL 81 CO -0.20 0.55 0.04 0.74 0.02 0.00 0.00 177.57 178.72 1p3t h THR 82 N 0.45 1.22 -0.15 2.57 2.02 -0.51 0.09 112.91 118.59 1p3t h THR 82 Ca -0.00 -0.85 -0.15 0.00 0.77 0.00 0.00 66.41 66.18 1p3t h THR 82 Cb 1.13 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1p3t h THR 82 CO 0.11 0.30 -0.53 -0.61 0.37 0.00 0.00 175.52 175.17 1p3t h GLN 83 N 0.66 0.44 -0.74 6.66 5.75 -0.53 -0.34 115.11 127.00 1p3t h GLN 83 Ca 0.14 -0.26 -0.06 0.00 -0.15 0.00 0.00 58.65 58.32 1p3t h GLN 83 Cb 0.35 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 1p3t h GLN 83 CO 0.01 0.86 0.24 -0.44 -2.65 0.00 0.00 178.83 176.85 1p3t h ASP 84 N 0.34 1.06 -0.78 -0.69 3.32 0.03 0.56 116.42 120.26 1p3t h ASP 84 Ca 0.01 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1p3t h ASP 84 Cb 1.04 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1p3t h ASP 84 CO 0.09 0.98 0.28 -0.07 -1.72 0.00 0.00 179.24 178.80 1p3t h LEU 85 N 1.09 1.10 0.29 1.55 3.38 -0.61 -2.52 115.31 119.59 1p3t h LEU 85 Ca 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1p3t h LEU 85 Cb 0.29 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1p3t h LEU 85 CO -0.01 0.99 -0.16 0.50 0.09 0.00 0.00 178.44 179.85 1p3t h LYS 86 N 1.14 -0.41 -0.81 1.13 3.64 -0.20 0.96 116.57 122.02 1p3t h LYS 86 Ca 0.26 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 59.90 1p3t h LYS 86 Cb 0.26 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1p3t h LYS 86 CO -0.02 -0.27 0.59 -0.44 -2.27 0.00 0.00 179.45 177.05 1p3t h ASP 87 N -0.42 0.00 -0.24 4.20 3.32 -0.66 0.24 116.42 122.86 1p3t h ASP 87 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1p3t h ASP 87 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1p3t h ASP 87 CO 0.05 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.75 1p3t n LEU 88 N -4.26 1.92 0.00 1.55 7.99 -0.80 -4.91 117.00 118.48 1p3t n LEU 88 Ca 0.17 -0.85 0.00 0.00 -0.01 0.00 0.00 56.01 55.32 1p3t n LEU 88 Cb 0.89 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 44.04 1p3t n LEU 88 CO 0.38 0.42 0.00 0.61 -1.51 0.00 0.00 177.39 177.30 1p3t n GLY 89 N 1.16 0.49 3.64 -0.72 0.00 0.84 -5.05 105.19 105.56 1p3t n GLY 89 Ca 0.16 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1p3t n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p3t s GLU 90 N -1.39 2.86 0.65 1.61 0.41 0.27 -5.01 118.70 118.09 1p3t s GLU 90 Ca 0.00 -0.49 -0.10 0.00 -0.41 0.00 0.00 54.97 53.97 1p3t s GLU 90 Cb 0.00 -2.70 -0.01 0.00 -1.78 0.00 0.00 34.13 29.64 1p3t s GLU 90 CO 0.00 0.68 1.03 -1.21 -0.49 0.00 0.00 175.26 175.27 1p3t s GLU 91 N -0.95 3.22 0.24 1.61 2.02 -1.26 -3.23 118.70 120.35 1p3t s GLU 91 Ca 0.14 0.52 -0.29 0.00 0.02 0.00 0.00 54.97 55.36 1p3t s GLU 91 Cb -0.11 -2.09 -0.15 0.00 0.10 0.00 0.00 34.13 31.88 1p3t s GLU 91 CO 0.03 -0.76 1.01 -2.30 0.02 0.00 0.00 175.26 173.26 1p3t n PRO 92 N -2.81 1.15 -3.61 0.39 -0.02 -1.26 -4.91 135.00 123.93 1p3t n PRO 92 Ca 0.06 0.41 -0.36 0.00 -2.02 0.00 0.00 63.50 61.59 1p3t n PRO 92 Cb 0.56 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.20 1p3t n PRO 92 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1p3t s TYR 93 N -0.78 3.63 -0.07 6.00 5.04 -1.26 -5.09 117.35 124.82 1p3t s TYR 93 Ca 0.64 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 1p3t s TYR 93 Cb -0.77 -2.15 0.02 0.00 0.35 0.00 0.00 41.96 39.41 1p3t s TYR 93 CO 0.57 0.59 -0.05 0.21 -1.34 0.00 0.00 175.55 175.53 1p3t s LYS 94 N -1.56 1.01 0.52 4.97 2.20 -1.26 -4.87 119.74 120.75 1p3t s LYS 94 Ca 0.28 -0.12 -0.22 0.00 -0.36 0.00 0.00 55.97 55.54 1p3t s LYS 94 Cb -0.14 -1.08 -0.06 0.00 -1.51 0.00 0.00 37.83 35.04 1p3t s LYS 94 CO 0.15 -0.15 1.29 0.34 -0.36 0.00 0.00 175.35 176.62 1p3t n PHE 95 N 4.44 2.10 0.15 4.03 7.35 -1.26 -4.97 117.46 129.29 1p3t n PHE 95 Ca -0.18 0.45 -0.06 0.00 -0.76 0.00 0.00 57.45 56.90 1p3t n PHE 95 Cb 0.51 -2.34 -0.03 0.00 0.35 0.00 0.00 39.48 37.96 1p3t n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1p3t h ASP 96 N 1.50 -0.33 -0.72 -2.13 5.19 -2.03 -3.46 116.42 114.44 1p3t h ASP 96 Ca -0.50 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1p3t h ASP 96 Cb 1.31 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.90 1p3t h ASP 96 CO 0.57 -0.17 0.00 0.29 -3.12 0.00 0.00 179.24 176.81 1p3t n LYS 97 N -3.40 -0.05 -3.16 3.56 4.76 -1.26 -4.99 118.16 113.62 1p3t n LYS 97 Ca -0.05 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.00 1p3t n LYS 97 Cb 0.15 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.29 1p3t n LYS 97 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1p3t s GLU 98 N -1.49 4.35 0.02 1.97 2.12 -1.26 -5.04 118.70 119.37 1p3t s GLU 98 Ca 0.00 0.81 -0.27 0.00 0.36 0.00 0.00 54.97 55.87 1p3t s GLU 98 Cb 0.00 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1p3t s GLU 98 CO 0.00 0.38 0.86 -0.51 -0.54 0.00 0.00 175.26 175.44 1p3t s LEU 99 N -0.26 4.41 0.50 2.70 1.43 -1.26 -5.01 118.68 121.19 1p3t s LEU 99 Ca 0.32 1.53 -0.22 0.00 -1.03 0.00 0.00 54.13 54.73 1p3t s LEU 99 Cb -0.19 -3.38 -0.08 0.00 0.03 0.00 0.00 46.19 42.58 1p3t s LEU 99 CO 0.19 -0.11 1.08 -2.65 0.23 0.00 0.00 176.35 175.08 1p3t n PRO 100 N 3.34 1.35 -3.20 1.29 -0.02 -1.26 -4.93 135.00 131.56 1p3t n PRO 100 Ca 0.01 0.49 -0.23 0.00 -2.02 0.00 0.00 63.50 61.76 1p3t n PRO 100 Cb 0.50 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 1p3t n PRO 100 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1p3t n TYR 101 N -0.93 0.28 -2.13 6.00 9.36 -1.26 -4.80 117.16 123.69 1p3t n TYR 101 Ca 0.10 -3.69 -0.35 0.00 3.32 0.00 0.00 57.90 57.28 1p3t n TYR 101 Cb 0.43 -0.39 0.02 0.00 -0.63 0.00 0.00 39.34 38.76 1p3t n TYR 101 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1p3t s GLU 102 N -1.67 3.19 0.32 2.98 2.56 -1.26 -5.07 118.70 119.75 1p3t s GLU 102 Ca 0.37 1.63 0.05 0.00 0.00 0.00 0.00 54.97 57.02 1p3t s GLU 102 Cb 0.21 -1.98 -0.02 0.00 2.00 0.00 0.00 34.13 34.34 1p3t s GLU 102 CO -0.09 -0.99 0.32 0.00 -0.56 0.00 0.00 175.26 173.94 1p3t n ALA 103 N -1.52 0.44 -0.91 6.30 0.00 -1.26 -4.77 120.51 118.78 1p3t n ALA 103 Ca 0.12 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.77 1p3t n ALA 103 Cb 0.51 1.45 0.00 0.00 0.00 0.00 0.00 19.45 21.41 1p3t n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p3t n GLY 104 N -0.59 0.74 0.28 0.00 0.00 -1.26 -2.30 105.19 102.06 1p3t n GLY 104 Ca 0.06 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.31 1p3t n GLY 104 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1p3t h ASN 105 N 0.06 0.00 0.32 1.61 4.21 -1.94 -0.59 115.58 119.25 1p3t h ASN 105 Ca 0.00 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.41 1p3t h ASN 105 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1p3t h ASN 105 CO 0.00 0.00 -0.43 0.11 -1.29 0.00 0.00 177.43 175.82 1p3t h LYS 106 N 0.00 0.14 0.00 0.81 1.57 -1.73 -2.30 116.57 115.06 1p3t h LYS 106 Ca 0.05 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1p3t h LYS 106 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1p3t h LYS 106 CO -0.00 0.54 -0.22 0.00 -0.57 0.00 0.00 179.45 179.20 1p3t h ALA 107 N 1.45 1.21 -0.63 3.86 0.00 -0.68 -1.95 119.26 122.53 1p3t h ALA 107 Ca 0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1p3t h ALA 107 Cb 0.80 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1p3t h ALA 107 CO 0.06 0.28 0.03 0.82 0.00 0.00 0.00 179.25 180.43 1p3t h ILE 108 N 0.00 1.27 -0.46 0.00 2.04 -1.30 -0.37 117.51 118.68 1p3t h ILE 108 Ca -0.00 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.75 1p3t h ILE 108 Cb 0.55 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1p3t h ILE 108 CO 0.03 0.41 0.26 1.23 0.00 0.00 0.00 178.15 180.09 1p3t h GLY 109 N 1.00 0.65 0.87 5.37 0.00 -1.32 0.69 103.07 110.32 1p3t h GLY 109 Ca 0.18 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.35 1p3t h GLY 109 CO 0.03 0.16 0.54 1.49 0.00 0.00 0.00 176.54 178.75 1p3t h TRP 110 N 0.53 1.00 -0.57 5.60 4.06 -1.20 -0.30 115.95 125.08 1p3t h TRP 110 Ca 0.19 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.16 1p3t h TRP 110 Cb 0.04 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 27.84 1p3t h TRP 110 CO -0.08 0.57 0.32 1.25 -3.56 0.00 0.00 178.44 176.94 1p3t h LEU 111 N 1.04 0.71 -0.42 -4.49 5.85 -0.07 -1.13 115.31 116.80 1p3t h LEU 111 Ca 0.33 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1p3t h LEU 111 Cb 0.02 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1p3t h LEU 111 CO -0.12 0.59 0.20 0.22 -0.34 0.00 0.00 178.44 178.99 1p3t h TYR 112 N 0.77 0.37 0.04 1.25 3.20 0.01 -0.26 116.97 122.35 1p3t h TYR 112 Ca 0.20 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.10 1p3t h TYR 112 Cb 0.04 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1p3t h TYR 112 CO -0.01 0.18 -0.07 0.00 -1.64 0.00 0.00 178.16 176.62 1p3t h ALA 114 N 0.80 0.49 -0.37 0.00 0.00 -1.03 -1.26 119.26 117.90 1p3t h ALA 114 Ca 0.01 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1p3t h ALA 114 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1p3t h ALA 114 CO -0.04 0.21 -0.35 1.49 0.00 0.00 0.00 179.25 180.55 1p3t h GLU 115 N 0.46 0.86 -0.42 0.00 4.57 -0.97 -2.78 114.58 116.30 1p3t h GLU 115 Ca 0.11 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 57.81 1p3t h GLU 115 Cb 0.37 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1p3t h GLU 115 CO 0.01 1.07 0.03 0.78 -1.18 0.00 0.00 179.01 179.72 1p3t h GLY 116 N 0.87 0.70 1.84 1.92 0.00 -0.31 -2.14 103.07 105.96 1p3t h GLY 116 Ca 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1p3t h GLY 116 CO 0.08 0.40 0.07 1.48 0.00 0.00 0.00 176.54 178.57 1p3t h SER 117 N 0.63 0.00 0.02 0.19 4.64 -0.93 -0.98 113.55 117.11 1p3t h SER 117 Ca 0.13 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1p3t h SER 117 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1p3t h SER 117 CO 0.01 0.00 -0.01 0.78 -0.87 0.00 0.00 176.83 176.74 1p3t h ASN 118 N 0.00 -0.02 -0.97 4.97 2.35 -1.40 -1.21 115.58 119.30 1p3t h ASN 118 Ca 0.02 -0.23 0.26 0.00 -0.55 0.00 0.00 56.30 55.80 1p3t h ASN 118 Cb 0.15 0.01 -0.13 0.00 0.05 0.00 0.00 38.32 38.40 1p3t h ASN 118 CO -0.00 0.22 0.51 0.25 -1.65 0.00 0.00 177.43 176.76 1p3t h LEU 119 N -0.26 0.48 -1.58 1.61 6.46 -1.23 -0.04 115.31 120.74 1p3t h LEU 119 Ca -0.00 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1p3t h LEU 119 Cb 0.25 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1p3t h LEU 119 CO 0.00 -0.02 0.00 0.61 -0.62 0.00 0.00 178.44 178.42 1p3t n GLY 120 N -1.32 0.77 0.00 3.75 0.00 -0.99 -4.24 105.19 103.17 1p3t n GLY 120 Ca 0.27 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.80 1p3t n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3t n ALA 121 N 0.83 1.83 0.06 4.61 0.00 -0.03 -3.56 120.51 124.25 1p3t n ALA 121 Ca 0.17 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 1p3t n ALA 121 Cb 0.47 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 1p3t n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p3t h ALA 122 N 2.67 -0.45 -0.25 0.00 0.00 -1.74 0.93 119.26 120.43 1p3t h ALA 122 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1p3t h ALA 122 Cb 0.22 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1p3t h ALA 122 CO 0.00 -0.82 -0.10 0.35 0.00 0.00 0.00 179.25 178.67 1p3t h PHE 123 N -0.46 -0.24 -0.94 0.00 3.57 -1.92 0.79 116.94 117.74 1p3t h PHE 123 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1p3t h PHE 123 Cb 0.55 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 1p3t h PHE 123 CO -0.34 -0.16 0.56 -0.07 -2.23 0.00 0.00 178.31 176.07 1p3t h LEU 124 N -0.06 1.14 -0.29 0.59 3.38 -1.61 -2.10 115.31 116.36 1p3t h LEU 124 Ca 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1p3t h LEU 124 Cb 0.26 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1p3t h LEU 124 CO -0.29 0.89 0.19 0.15 0.09 0.00 0.00 178.44 179.46 1p3t h PHE 125 N 1.30 0.37 -0.29 1.13 3.57 0.20 0.68 116.94 123.91 1p3t h PHE 125 Ca 0.34 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.88 1p3t h PHE 125 Cb -0.04 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1p3t h PHE 125 CO 0.01 0.25 0.07 -0.22 -2.23 0.00 0.00 178.31 176.18 1p3t h LYS 126 N 0.39 0.18 0.00 1.11 3.64 -0.47 -0.61 116.57 120.81 1p3t h LYS 126 Ca 0.11 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1p3t h LYS 126 Cb -0.03 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1p3t h LYS 126 CO -0.02 0.12 -0.02 0.45 -2.27 0.00 0.00 179.45 177.71 1p3t h HIS 127 N 0.18 0.00 -0.15 1.91 3.86 -1.14 -2.79 115.15 117.02 1p3t h HIS 127 Ca 0.13 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 1p3t h HIS 127 Cb 0.13 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 1p3t h HIS 127 CO -0.16 0.02 -0.18 0.00 0.86 0.00 0.00 177.93 178.46 1p3t h ALA 128 N 1.98 0.22 0.00 2.45 0.00 -0.10 -2.71 119.26 121.10 1p3t h ALA 128 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1p3t h ALA 128 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1p3t h ALA 128 CO 0.00 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.43 1p3t n GLN 129 N -4.51 0.07 0.01 0.00 6.02 -0.31 -0.06 117.38 118.60 1p3t n GLN 129 Ca -0.06 0.54 0.14 0.00 -0.01 0.00 0.00 57.00 57.61 1p3t n GLN 129 Cb 0.39 -1.72 0.60 0.00 1.02 0.00 0.00 30.24 30.54 1p3t n GLN 129 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1p3t n LYS 130 N -1.87 0.02 -0.53 -1.09 5.02 -1.02 -2.91 118.16 115.78 1p3t n LYS 130 Ca -0.00 0.02 0.06 0.00 -2.02 0.00 0.00 58.31 56.37 1p3t n LYS 130 Cb 0.04 -1.52 0.26 0.00 -0.02 0.00 0.00 35.03 33.78 1p3t n LYS 130 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1p3t n LEU 131 N -1.56 4.06 -0.66 -0.35 4.77 0.91 -4.92 117.00 119.25 1p3t n LEU 131 Ca 0.07 -3.13 -0.09 0.00 -0.03 0.00 0.00 56.01 52.83 1p3t n LEU 131 Cb 0.35 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 1p3t n LEU 131 CO 0.27 0.76 -0.08 0.47 -1.33 0.00 0.00 177.39 177.48 1p3t n ASP 132 N -0.57 -4.28 -4.35 -1.43 10.43 -1.14 -4.99 116.55 110.22 1p3t n ASP 132 Ca 0.24 0.21 -0.37 0.00 2.57 0.00 0.00 54.79 57.45 1p3t n ASP 132 Cb 0.94 -2.55 -0.13 0.00 1.84 0.00 0.00 41.12 41.23 1p3t n ASP 132 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1p3t s TYR 133 N -2.24 3.12 0.08 1.24 4.12 -1.11 -4.90 117.35 117.65 1p3t s TYR 133 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 57.07 56.19 1p3t s TYR 133 Cb 0.00 -2.23 -0.00 0.00 -1.52 0.00 0.00 41.96 38.20 1p3t s TYR 133 CO 0.00 -0.55 0.01 0.27 0.02 0.00 0.00 175.55 175.31 1p3t n ASN 134 N 4.86 1.54 0.09 2.29 0.23 -0.14 -1.46 115.26 122.68 1p3t n ASN 134 Ca -0.15 -1.37 0.08 0.00 -0.53 0.00 0.00 54.58 52.62 1p3t n ASN 134 Cb 0.49 0.12 0.39 0.00 -2.08 0.00 0.00 39.78 38.70 1p3t n ASN 134 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1p3t n GLY 135 N 2.79 -0.93 0.37 4.83 0.00 -1.26 -1.68 105.19 109.31 1p3t n GLY 135 Ca -0.02 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1p3t n GLY 135 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p3t n GLU 136 N -1.97 1.66 -3.32 1.61 -0.58 -1.26 -4.24 120.64 112.53 1p3t n GLU 136 Ca 0.01 -0.82 0.02 0.00 -0.42 0.00 0.00 57.16 55.96 1p3t n GLU 136 Cb 0.11 -1.28 -0.02 0.00 -0.57 0.00 0.00 31.44 29.67 1p3t n GLU 136 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1p3t s HIS 137 N -1.92 -1.24 0.00 -0.32 2.46 -0.68 -4.99 115.29 108.61 1p3t s HIS 137 Ca 0.13 1.63 0.00 0.00 0.47 0.00 0.00 55.06 57.30 1p3t s HIS 137 Cb 0.13 0.55 0.00 0.00 -0.13 0.00 0.00 32.58 33.13 1p3t s HIS 137 CO 0.41 -0.65 0.00 0.41 -2.47 0.00 0.00 174.74 172.44 1p3t n GLY 138 N 5.38 2.38 2.06 1.59 0.00 -1.26 -0.97 105.19 114.37 1p3t n GLY 138 Ca -0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1p3t n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3t n ALA 139 N 0.00 4.21 -0.22 4.61 0.00 -0.72 -4.78 120.51 123.60 1p3t n ALA 139 Ca 0.00 -3.44 -0.06 0.00 0.00 0.00 0.00 53.44 49.94 1p3t n ALA 139 Cb 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 19.45 19.02 1p3t n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p3t h ARG 140 N 2.12 0.85 0.00 0.00 3.08 -1.73 -2.27 114.38 116.44 1p3t h ARG 140 Ca 0.19 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1p3t h ARG 140 Cb 1.44 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1p3t h ARG 140 CO 0.52 0.62 0.00 -2.39 -1.07 0.00 0.00 179.97 177.66 1p3t n HIS 141 N -4.59 0.42 0.11 3.04 1.44 -1.26 -2.68 115.22 111.71 1p3t n HIS 141 Ca 0.04 0.17 0.11 0.00 -2.01 0.00 0.00 57.72 56.03 1p3t n HIS 141 Cb 0.07 -0.78 -0.16 0.00 0.12 0.00 0.00 29.99 29.24 1p3t n HIS 141 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1p3t n LEU 142 N -1.89 0.12 -4.52 2.39 4.77 -0.88 -4.99 117.00 112.00 1p3t n LEU 142 Ca 0.02 -0.06 -0.37 0.00 -0.03 0.00 0.00 56.01 55.57 1p3t n LEU 142 Cb 0.17 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1p3t n LEU 142 CO 0.14 0.03 0.24 0.00 -1.33 0.00 0.00 177.39 176.47 1p3t n ALA 143 N -2.14 -0.86 -1.55 -1.18 0.00 -1.07 -4.68 120.51 109.04 1p3t n ALA 143 Ca -0.03 -0.12 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 1p3t n ALA 143 Cb 0.52 -1.94 0.04 0.00 0.00 0.00 0.00 19.45 18.07 1p3t n ALA 143 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1p3t s PRO 144 N -2.68 2.94 0.32 0.00 0.02 -1.26 -4.98 135.00 129.35 1p3t s PRO 144 Ca 0.70 1.27 -0.29 0.00 0.02 0.00 0.00 61.00 62.70 1p3t s PRO 144 Cb -0.39 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.05 1p3t s PRO 144 CO 0.53 -1.12 1.36 -1.58 -0.33 0.00 0.00 177.00 175.86 1p3t s HIS 145 N -2.49 2.98 0.47 6.54 5.65 -1.26 -4.86 115.29 122.32 1p3t s HIS 145 Ca 0.64 1.29 0.31 0.00 0.25 0.00 0.00 55.06 57.55 1p3t s HIS 145 Cb -0.18 -3.76 1.40 0.00 -1.18 0.00 0.00 32.58 28.86 1p3t s HIS 145 CO 0.42 -2.20 1.73 -1.35 -0.65 0.00 0.00 174.74 172.69 1p3t h PRO 146 N 3.73 0.14 -0.01 2.88 0.11 -2.03 0.92 132.00 137.74 1p3t h PRO 146 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1p3t h PRO 146 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1p3t h PRO 146 CO 0.68 0.09 -0.01 -0.25 -0.21 0.00 0.00 178.00 178.31 1p3t n ASP 147 N -4.42 0.74 -0.04 -2.05 10.43 -1.26 -5.00 116.55 114.96 1p3t n ASP 147 Ca 0.30 -1.20 0.00 0.00 2.57 0.00 0.00 54.79 56.46 1p3t n ASP 147 Cb 1.24 -0.00 0.00 0.00 1.84 0.00 0.00 41.12 44.20 1p3t n ASP 147 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1p3t n GLY 148 N 1.11 0.04 0.31 0.44 0.00 0.32 -4.45 105.19 102.95 1p3t n GLY 148 Ca 0.21 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 45.16 1p3t n GLY 148 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1p3t h ARG 149 N 0.00 0.24 0.61 1.61 3.08 -1.92 -2.16 114.38 115.83 1p3t h ARG 149 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1p3t h ARG 149 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1p3t h ARG 149 CO 0.00 0.16 -0.33 0.78 -1.07 0.00 0.00 179.97 179.51 1p3t h GLY 150 N 0.24 -0.98 0.08 0.04 0.00 -1.95 -1.88 103.07 98.63 1p3t h GLY 150 Ca 0.57 0.38 -0.00 0.00 0.00 0.00 0.00 47.33 48.28 1p3t h GLY 150 CO -0.63 -0.35 -0.13 0.50 0.00 0.00 0.00 176.54 175.93 1p3t h LYS 151 N -0.87 -0.22 -1.00 4.80 1.79 -1.73 -0.70 116.57 118.65 1p3t h LYS 151 Ca -0.08 0.01 0.40 0.00 -2.18 0.00 0.00 60.65 58.81 1p3t h LYS 151 Cb 0.68 0.05 -0.18 0.00 -1.58 0.00 0.00 32.23 31.20 1p3t h LYS 151 CO 0.11 -0.15 0.54 1.25 -1.08 0.00 0.00 179.45 180.13 1p3t h HIS 152 N -0.23 0.84 -0.02 -1.35 2.76 -1.51 0.29 115.15 115.94 1p3t h HIS 152 Ca -0.01 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1p3t h HIS 152 Cb 0.21 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1p3t h HIS 152 CO -0.22 -0.43 -0.10 2.35 -1.30 0.00 0.00 177.93 178.23 1p3t h TRP 153 N 0.05 0.15 -0.90 5.26 2.91 -0.89 -2.06 115.95 120.47 1p3t h TRP 153 Ca 0.83 -0.06 0.11 0.00 1.13 0.00 0.00 58.89 60.90 1p3t h TRP 153 Cb 2.15 -0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 30.71 1p3t h TRP 153 CO -0.01 0.75 0.58 0.00 -1.03 0.00 0.00 178.44 178.73 1p3t h ARG 154 N -0.50 0.81 0.52 2.65 3.08 0.55 0.12 114.38 121.61 1p3t h ARG 154 Ca -0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1p3t h ARG 154 Cb 0.76 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.64 1p3t h ARG 154 CO 0.02 0.54 -0.25 0.00 -1.07 0.00 0.00 179.97 179.21 1p3t h ALA 155 N 1.57 -0.70 -1.01 0.04 0.00 -1.28 -2.23 119.26 115.65 1p3t h ALA 155 Ca 0.43 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.41 1p3t h ALA 155 Cb 0.50 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.44 1p3t h ALA 155 CO -0.19 -0.81 0.59 0.35 0.00 0.00 0.00 179.25 179.19 1p3t h PHE 156 N -0.87 0.99 -0.49 0.00 3.57 -0.46 0.22 116.94 119.91 1p3t h PHE 156 Ca -0.07 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1p3t h PHE 156 Cb 0.60 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1p3t h PHE 156 CO -0.01 0.03 0.31 0.28 -2.23 0.00 0.00 178.31 176.69 1p3t h VAL 157 N 0.54 1.10 -0.53 1.41 2.07 -0.40 -1.74 116.25 118.69 1p3t h VAL 157 Ca 0.66 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 68.04 1p3t h VAL 157 Cb 1.30 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1p3t h VAL 157 CO -0.49 0.11 0.19 -0.33 0.02 0.00 0.00 177.57 177.08 1p3t h GLU 158 N 0.63 0.36 -0.84 1.57 4.39 0.01 0.15 114.58 120.86 1p3t h GLU 158 Ca 0.18 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.93 1p3t h GLU 158 Cb -0.04 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.46 1p3t h GLU 158 CO -0.06 0.24 0.51 0.45 -1.16 0.00 0.00 179.01 178.99 1p3t h HIS 159 N 0.38 0.94 0.37 4.33 3.86 -1.01 0.26 115.15 124.27 1p3t h HIS 159 Ca 0.26 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1p3t h HIS 159 Cb 0.28 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1p3t h HIS 159 CO -0.16 0.46 -0.18 -0.07 0.86 0.00 0.00 177.93 178.84 1p3t h LEU 160 N 0.91 -0.42 -2.24 2.43 3.38 -0.30 -1.72 115.31 117.34 1p3t h LEU 160 Ca 0.37 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1p3t h LEU 160 Cb 0.21 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1p3t h LEU 160 CO -0.19 -0.17 0.00 0.78 0.09 0.00 0.00 178.44 178.95 1p3t h ASN 161 N -0.65 0.00 0.74 -0.43 -0.26 -0.71 -2.13 115.58 112.14 1p3t h ASN 161 Ca -0.05 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.48 1p3t h ASN 161 Cb 0.47 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 1p3t h ASN 161 CO 0.08 0.00 -0.94 0.00 -1.06 0.00 0.00 177.43 175.51 1p3t h ALA 162 N 2.02 0.45 -1.00 -0.83 0.00 0.38 -3.26 119.26 117.02 1p3t h ALA 162 Ca 0.00 -0.79 0.29 0.00 0.00 0.00 0.00 54.91 54.41 1p3t h ALA 162 Cb 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1p3t h ALA 162 CO 0.00 1.03 0.87 -0.07 0.00 0.00 0.00 179.25 181.08 1p3t h LEU 163 N 0.05 0.00 -1.97 0.00 3.38 -0.76 -3.45 115.31 112.57 1p3t h LEU 163 Ca -0.04 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.63 1p3t h LEU 163 Cb 1.62 0.00 0.18 0.00 0.09 0.00 0.00 40.66 42.54 1p3t h LEU 163 CO 0.14 0.00 -0.81 0.59 0.09 0.00 0.00 178.44 178.45 1p3t n ASN 164 N -3.82 -3.76 -4.80 -0.43 3.02 -1.23 -4.97 115.26 99.28 1p3t n ASN 164 Ca 0.22 -0.67 -0.35 0.00 -0.03 0.00 0.00 54.58 53.75 1p3t n ASN 164 Cb 1.20 -5.10 -0.06 0.00 -0.61 0.00 0.00 39.78 35.20 1p3t n ASN 164 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1p3t s LEU 165 N -6.01 4.16 0.55 3.41 1.43 -1.26 -5.05 118.68 115.91 1p3t s LEU 165 Ca 0.18 1.80 -0.14 0.00 -1.03 0.00 0.00 54.13 54.94 1p3t s LEU 165 Cb -0.02 -4.24 -0.06 0.00 0.03 0.00 0.00 46.19 41.89 1p3t s LEU 165 CO 0.74 -0.23 0.99 0.42 0.23 0.00 0.00 176.35 178.50 1p3t s THR 166 N -1.84 4.63 0.44 5.49 -4.23 -1.26 -4.70 115.64 114.16 1p3t s THR 166 Ca 0.56 1.02 0.25 0.00 -1.18 0.00 0.00 61.69 62.34 1p3t s THR 166 Cb -0.15 -3.79 0.45 0.00 1.34 0.00 0.00 72.50 70.35 1p3t s THR 166 CO 0.20 -0.89 1.74 -0.65 -0.54 0.00 0.00 174.62 174.48 1p3t h PRO 167 N 0.38 0.24 -0.66 3.99 0.11 -1.99 1.42 132.00 135.50 1p3t h PRO 167 Ca -0.46 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1p3t h PRO 167 Cb 1.19 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1p3t h PRO 167 CO 0.62 0.16 0.15 0.93 -0.21 0.00 0.00 178.00 179.64 1p3t h GLU 168 N 0.25 1.06 0.01 1.05 3.07 -2.00 -1.30 114.58 116.72 1p3t h GLU 168 Ca 0.65 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1p3t h GLU 168 Cb 1.92 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.70 1p3t h GLU 168 CO -0.27 0.96 -0.01 0.00 -1.40 0.00 0.00 179.01 178.29 1p3t h ALA 169 N 1.06 -0.02 -0.75 3.43 0.00 0.15 -3.01 119.26 120.11 1p3t h ALA 169 Ca 0.20 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1p3t h ALA 169 Cb 0.38 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1p3t h ALA 169 CO 0.00 -0.32 0.41 0.93 0.00 0.00 0.00 179.25 180.28 1p3t h GLU 170 N -0.40 0.69 -0.81 0.00 5.08 -0.69 -0.88 114.58 117.57 1p3t h GLU 170 Ca -0.00 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1p3t h GLU 170 Cb 0.39 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.39 1p3t h GLU 170 CO 0.00 0.46 0.40 0.00 -1.00 0.00 0.00 179.01 178.87 1p3t h ALA 171 N 1.42 1.19 -0.16 3.43 0.00 -1.18 0.62 119.26 124.58 1p3t h ALA 171 Ca 0.36 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 1p3t h ALA 171 Cb 0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1p3t h ALA 171 CO -0.24 -0.10 -0.20 0.93 0.00 0.00 0.00 179.25 179.64 1p3t h GLU 172 N 0.59 0.41 -0.92 0.00 5.08 -1.14 -1.58 114.58 117.03 1p3t h GLU 172 Ca 0.44 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1p3t h GLU 172 Cb 0.60 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1p3t h GLU 172 CO -0.36 0.81 0.57 0.00 -1.00 0.00 0.00 179.01 179.04 1p3t h ALA 173 N 0.60 1.16 -0.28 3.43 0.00 -0.08 0.54 119.26 124.62 1p3t h ALA 173 Ca 0.02 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1p3t h ALA 173 Cb 0.75 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1p3t h ALA 173 CO 0.05 0.60 -0.14 0.82 0.00 0.00 0.00 179.25 180.58 1p3t h ILE 174 N 1.25 1.30 -0.49 0.00 2.04 0.20 0.14 117.51 121.95 1p3t h ILE 174 Ca 0.33 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 1p3t h ILE 174 Cb -0.09 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1p3t h ILE 174 CO -0.07 0.39 0.16 -0.61 0.00 0.00 0.00 178.15 178.03 1p3t h GLN 175 N 0.34 0.72 -0.55 2.37 5.75 -0.86 -1.19 115.11 121.69 1p3t h GLN 175 Ca 0.06 -0.12 -0.07 0.00 -0.15 0.00 0.00 58.65 58.38 1p3t h GLN 175 Cb 0.65 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1p3t h GLN 175 CO 0.04 0.63 0.07 0.78 -2.65 0.00 0.00 178.83 177.70 1p3t h GLY 176 N 0.88 0.96 1.46 2.39 0.00 0.60 -1.71 103.07 107.66 1p3t h GLY 176 Ca 0.17 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 1p3t h GLY 176 CO -0.01 0.57 -0.21 0.00 0.00 0.00 0.00 176.54 176.89 1p3t h ALA 177 N 1.23 1.02 -0.35 3.60 0.00 0.39 -1.36 119.26 123.79 1p3t h ALA 177 Ca 0.17 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1p3t h ALA 177 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1p3t h ALA 177 CO 0.01 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.86 1p3t h ARG 178 N 0.56 0.62 -0.05 0.00 3.08 -1.00 -1.90 114.38 115.69 1p3t h ARG 178 Ca 0.08 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1p3t h ARG 178 Cb 0.67 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1p3t h ARG 178 CO 0.05 0.73 -0.17 0.93 -1.07 0.00 0.00 179.97 180.43 1p3t h GLU 179 N 0.43 0.07 -0.06 0.04 5.08 -1.05 0.69 114.58 119.79 1p3t h GLU 179 Ca 0.10 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1p3t h GLU 179 Cb 0.44 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1p3t h GLU 179 CO 0.02 0.25 -0.02 0.00 -1.00 0.00 0.00 179.01 178.26 1p3t h ALA 180 N 1.76 0.08 -0.66 3.43 0.00 -0.97 -0.51 119.26 122.38 1p3t h ALA 180 Ca 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1p3t h ALA 180 Cb 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1p3t h ALA 180 CO 0.02 -0.19 0.41 0.74 0.00 0.00 0.00 179.25 180.23 1p3t h PHE 181 N -0.25 0.86 -0.35 0.00 0.05 -0.86 -1.36 116.94 115.03 1p3t h PHE 181 Ca 0.01 0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.76 1p3t h PHE 181 Cb 0.43 -0.28 -0.01 0.00 2.00 0.00 0.00 35.95 38.09 1p3t h PHE 181 CO 0.06 0.57 0.02 0.00 -0.18 0.00 0.00 178.31 178.77 1p3t h ALA 182 N 1.54 0.47 -0.29 2.45 0.00 -0.65 -2.79 119.26 119.99 1p3t h ALA 182 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1p3t h ALA 182 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1p3t h ALA 182 CO -0.05 0.21 0.18 0.35 0.00 0.00 0.00 179.25 179.95 1p3t h PHE 183 N 0.42 0.38 -0.65 0.00 3.57 -0.64 -1.56 116.94 118.45 1p3t h PHE 183 Ca 0.10 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.74 1p3t h PHE 183 Cb 0.43 -0.13 -0.11 0.00 2.79 0.00 0.00 35.95 38.93 1p3t h PHE 183 CO 0.03 0.26 0.02 -0.92 -2.23 0.00 0.00 178.31 175.47 1p3t h TYR 184 N 0.38 -0.01 -0.14 0.41 3.20 -1.12 0.93 116.97 120.62 1p3t h TYR 184 Ca 0.11 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 1p3t h TYR 184 Cb -0.01 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1p3t h TYR 184 CO -0.05 -0.17 -0.26 0.87 -1.64 0.00 0.00 178.16 176.91 1p3t h LYS 185 N 0.13 0.25 -0.03 1.82 1.57 -1.15 -0.06 116.57 119.09 1p3t h LYS 185 Ca 0.34 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1p3t h LYS 185 Cb 0.57 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1p3t h LYS 185 CO -0.55 0.50 0.01 0.28 -0.57 0.00 0.00 179.45 179.13 1p3t h VAL 186 N 0.22 1.17 -0.36 0.50 2.07 0.08 -1.20 116.25 118.74 1p3t h VAL 186 Ca 0.03 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1p3t h VAL 186 Cb 0.59 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1p3t h VAL 186 CO 0.04 0.14 0.19 0.58 0.02 0.00 0.00 177.57 178.54 1p3t h VAL 187 N -0.14 1.15 -0.41 2.57 2.07 -0.74 -2.33 116.25 118.42 1p3t h VAL 187 Ca 0.01 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.21 1p3t h VAL 187 Cb 0.21 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1p3t h VAL 187 CO -0.00 0.15 0.00 0.25 0.02 0.00 0.00 177.57 178.00 1p3t h LEU 188 N 0.45 -0.16 -0.37 2.57 6.46 -0.91 0.30 115.31 123.64 1p3t h LEU 188 Ca 0.12 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 58.01 1p3t h LEU 188 Cb 0.08 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 1p3t h LEU 188 CO -0.02 -0.05 0.16 0.03 -0.62 0.00 0.00 178.44 177.94 1p3t h ARG 189 N 0.11 0.32 -0.56 1.25 3.08 -0.97 0.58 114.38 118.19 1p3t h ARG 189 Ca 0.20 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 1p3t h ARG 189 Cb 0.29 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1p3t h ARG 189 CO -0.34 0.21 0.01 0.93 -1.07 0.00 0.00 179.97 179.72 1p3t h GLU 190 N 0.33 0.98 0.00 0.04 5.08 -0.91 0.63 114.58 120.74 1p3t h GLU 190 Ca 0.16 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1p3t h GLU 190 Cb 0.11 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1p3t h GLU 190 CO -0.14 0.98 -0.41 1.15 -1.00 0.00 0.00 179.01 179.58 1p3t h THR 191 N 0.86 1.19 -0.47 1.13 2.02 0.07 -2.86 112.91 114.85 1p3t h THR 191 Ca 0.16 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.87 1p3t h THR 191 Cb 0.53 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1p3t h THR 191 CO 0.03 0.41 0.00 0.49 0.37 0.00 0.00 175.52 176.81 1p3t n PHE 192 N -3.89 0.88 -3.22 3.16 3.01 0.15 -4.95 117.46 112.60 1p3t n PHE 192 Ca -0.01 -0.59 -0.18 0.00 1.01 0.00 0.00 57.45 57.67 1p3t n PHE 192 Cb 0.46 -0.12 0.05 0.00 -0.01 0.00 0.00 39.48 39.86 1p3t n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p3t n GLY 193 N 0.67 -0.24 3.98 1.37 0.00 -0.41 -5.03 105.19 105.53 1p3t n GLY 193 Ca 0.19 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1p3t n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3t s LEU 194 N -5.79 4.10 0.90 0.99 1.43 0.21 -5.01 118.68 115.51 1p3t s LEU 194 Ca 0.40 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1p3t s LEU 194 Cb -0.18 -2.87 0.13 0.00 0.03 0.00 0.00 46.19 43.31 1p3t s LEU 194 CO 0.49 -0.29 1.09 0.00 0.23 0.00 0.00 176.35 177.88 1p3t s ALA 195 N -2.13 1.50 0.47 4.21 0.00 -1.26 -4.52 121.76 120.03 1p3t s ALA 195 Ca 0.40 -0.00 -0.22 0.00 0.00 0.00 0.00 51.96 52.13 1p3t s ALA 195 Cb -0.09 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 1p3t s ALA 195 CO 0.31 -2.40 1.17 0.00 0.00 0.00 0.00 175.76 174.84 1p3t s ALA 196 N -2.89 2.93 -0.81 0.00 0.00 -1.26 -2.71 121.76 117.01 1p3t s ALA 196 Ca 0.64 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1p3t s ALA 196 Cb -0.18 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1p3t s ALA 196 CO 0.57 -0.71 0.00 -0.25 0.00 0.00 0.00 175.76 175.37 1p3t n ASP 197 N -0.61 -4.96 -4.77 0.00 8.00 -1.26 -4.98 116.55 107.97 1p3t n ASP 197 Ca 0.08 0.19 -0.37 0.00 0.71 0.00 0.00 54.79 55.39 1p3t n ASP 197 Cb 0.48 -3.13 -0.03 0.00 -0.02 0.00 0.00 41.12 38.42 1p3t n ASP 197 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p3t s ALA 198 N -1.94 3.11 0.16 2.24 0.00 -1.10 -5.05 121.76 119.18 1p3t s ALA 198 Ca 0.00 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 52.80 1p3t s ALA 198 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1p3t s ALA 198 CO 0.00 -0.39 0.06 -1.21 0.00 0.00 0.00 175.76 174.23 1p3t s GLU 199 N -2.39 1.04 0.91 0.00 0.41 -1.26 -5.02 118.70 112.39 1p3t s GLU 199 Ca 0.58 -1.51 -0.10 0.00 -0.41 0.00 0.00 54.97 53.53 1p3t s GLU 199 Cb -0.27 0.13 0.15 0.00 -1.78 0.00 0.00 34.13 32.36 1p3t s GLU 199 CO 0.33 -0.26 1.14 0.00 -0.49 0.00 0.00 175.26 175.98 1p3t s ALA 200 N -3.98 1.46 0.23 5.21 0.00 -1.26 -4.85 121.76 118.57 1p3t s ALA 200 Ca 0.28 0.56 -0.31 0.00 0.00 0.00 0.00 51.96 52.49 1p3t s ALA 200 Cb 0.07 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.61 1p3t s ALA 200 CO 0.05 -2.75 1.33 -2.30 0.00 0.00 0.00 175.76 172.09 1p3t n PRO 201 N -4.22 1.81 -1.78 0.00 -0.02 -1.26 -4.85 135.00 124.68 1p3t n PRO 201 Ca 0.12 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 1p3t n PRO 201 Cb 0.52 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1p3t n PRO 201 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1p3t s GLU 202 N -0.54 4.13 0.00 -0.52 2.12 -1.26 -2.60 118.70 120.03 1p3t s GLU 202 Ca 0.68 2.57 0.00 0.00 0.36 0.00 0.00 54.97 58.58 1p3t s GLU 202 Cb -0.69 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 30.65 1p3t s GLU 202 CO 0.51 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 1p3t n GLY 203 N 2.65 0.87 3.75 -1.50 0.00 -1.26 -5.06 105.19 104.64 1p3t n GLY 203 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1p3t n GLY 203 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p3t s MET 204 N -0.94 4.30 -0.02 1.61 0.00 -1.07 -5.02 119.30 118.16 1p3t s MET 204 Ca 0.00 2.25 -0.01 0.00 0.00 0.00 0.00 55.69 57.93 1p3t s MET 204 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 34.83 31.67 1p3t s MET 204 CO 0.00 -0.36 0.07 -1.64 0.00 0.00 0.00 175.02 173.09 1p3t s MET 205 N -0.53 3.05 0.00 4.11 -1.94 -1.26 -5.02 119.30 117.72 1p3t s MET 205 Ca 0.57 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 1p3t s MET 205 Cb -0.41 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.58 1p3t s MET 205 CO 0.44 0.66 0.39 -2.30 -0.01 0.00 0.00 175.02 174.20