#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c8t h LEU 16 N 0.00 -0.60 -0.35 2.46 5.85 -2.05 -0.17 115.31 120.46 2c8t h LEU 16 Ca 0.00 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.90 2c8t h LEU 16 Cb 0.00 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 2c8t h LEU 16 CO 0.00 -0.24 -0.17 0.74 -0.34 0.00 0.00 178.44 178.43 2c8t h THR 17 N -0.24 0.49 -0.68 1.05 2.02 -2.06 -0.63 112.91 112.86 2c8t h THR 17 Ca 0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2c8t h THR 17 Cb 0.39 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2c8t h THR 17 CO -0.28 0.00 0.38 0.44 0.37 0.00 0.00 175.52 176.43 2c8t h ASP 18 N -0.11 0.84 -0.78 4.18 3.32 -1.93 -1.93 116.42 120.01 2c8t h ASP 18 Ca 0.17 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.17 2c8t h ASP 18 Cb 0.38 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 2c8t h ASP 18 CO -0.42 0.69 0.50 -1.28 -1.72 0.00 0.00 179.24 177.00 2c8t h SER 19 N 0.93 0.81 0.14 6.45 0.87 -0.50 0.83 113.55 123.08 2c8t h SER 19 Ca 0.24 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 2c8t h SER 19 Cb 0.02 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2c8t h SER 19 CO -0.04 0.55 -0.07 0.58 -0.53 0.00 0.00 176.83 177.32 2c8t h VAL 20 N 0.95 0.94 -0.54 2.23 2.07 -0.72 -2.08 116.25 119.10 2c8t h VAL 20 Ca 0.32 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2c8t h VAL 20 Cb 0.04 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2c8t h VAL 20 CO -0.12 0.08 0.19 1.88 0.02 0.00 0.00 177.57 179.61 2c8t h TYR 21 N -0.34 0.79 0.38 1.57 -1.99 -0.93 -0.65 116.97 115.80 2c8t h TYR 21 Ca -0.02 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 2c8t h TYR 21 Cb 0.27 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.77 2c8t h TYR 21 CO -0.02 0.63 -0.18 0.93 -0.00 0.00 0.00 178.16 179.52 2c8t h GLU 22 N 0.77 -0.49 -0.61 4.88 5.08 -0.81 0.28 114.58 123.69 2c8t h GLU 22 Ca 0.18 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.68 2c8t h GLU 22 Cb 0.19 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 2c8t h GLU 22 CO -0.01 -0.30 0.18 0.00 -1.00 0.00 0.00 179.01 177.87 2c8t h ARG 23 N -0.54 0.31 0.00 2.33 3.08 -1.09 -1.08 114.38 117.39 2c8t h ARG 23 Ca -0.05 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2c8t h ARG 23 Cb 0.41 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2c8t h ARG 23 CO 0.09 0.21 -0.20 1.25 -1.07 0.00 0.00 179.97 180.24 2c8t h LEU 24 N 0.32 0.00 -1.08 3.04 5.85 -0.90 -1.02 115.31 121.51 2c8t h LEU 24 Ca 0.32 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 2c8t h LEU 24 Cb 0.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2c8t h LEU 24 CO -0.37 0.20 -0.42 0.25 -0.34 0.00 0.00 178.44 177.77 2c8t h LEU 25 N 0.00 0.00 -0.00 2.25 5.85 0.36 -1.46 115.31 122.31 2c8t h LEU 25 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2c8t h LEU 25 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2c8t h LEU 25 CO 0.03 0.42 0.00 -1.20 -0.34 0.00 0.00 178.44 177.34 2c8t n SER 26 N -3.80 0.01 -1.37 1.25 7.64 -0.40 -1.94 113.62 115.01 2c8t n SER 26 Ca -0.01 0.50 0.09 0.00 1.01 0.00 0.00 58.87 60.46 2c8t n SER 26 Cb 0.48 -0.50 0.32 0.00 -1.01 0.00 0.00 64.21 63.49 2c8t n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2c8t n GLU 27 N -1.51 3.59 -3.90 1.43 -0.58 -0.75 -4.94 120.64 113.98 2c8t n GLU 27 Ca 0.05 -2.80 -0.30 0.00 -0.42 0.00 0.00 57.16 53.70 2c8t n GLU 27 Cb 0.24 -1.83 0.03 0.00 -0.57 0.00 0.00 31.44 29.30 2c8t n GLU 27 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2c8t n ARG 28 N 0.72 -5.60 -5.28 3.49 5.12 -0.82 -4.89 116.66 109.41 2c8t n ARG 28 Ca 0.23 0.61 -0.31 0.00 -1.93 0.00 0.00 57.85 56.45 2c8t n ARG 28 Cb 0.86 -5.49 -0.16 0.00 -1.16 0.00 0.00 32.46 26.50 2c8t n ARG 28 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2c8t s ILE 29 N -3.31 2.01 -0.01 0.55 1.01 -0.62 -0.83 121.20 119.99 2c8t s ILE 29 Ca 0.64 -1.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 2c8t s ILE 29 Cb -0.32 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.49 2c8t s ILE 29 CO 0.83 0.57 0.17 -0.63 0.00 0.00 0.00 174.94 175.87 2c8t s ILE 30 N -0.56 0.07 -0.06 2.92 1.01 0.36 -3.46 121.20 121.48 2c8t s ILE 30 Ca 0.09 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.20 2c8t s ILE 30 Cb -0.10 -0.44 -0.00 0.00 0.01 0.00 0.00 42.46 41.92 2c8t s ILE 30 CO -0.01 -0.32 -0.20 -0.36 0.00 0.00 0.00 174.94 174.05 2c8t s PHE 31 N -1.22 2.04 -0.62 3.97 0.40 -1.26 -0.45 117.98 120.85 2c8t s PHE 31 Ca -0.13 -0.64 -0.09 0.00 -0.60 0.00 0.00 56.93 55.47 2c8t s PHE 31 Cb -0.07 -1.37 0.16 0.00 0.51 0.00 0.00 43.02 42.26 2c8t s PHE 31 CO 0.02 -0.22 0.50 -1.17 0.70 0.00 0.00 175.22 175.05 2c8t s LEU 32 N 0.05 5.93 -0.12 -0.37 2.96 0.17 -4.95 118.68 122.35 2c8t s LEU 32 Ca -0.06 -2.37 0.15 0.00 -0.22 0.00 0.00 54.13 51.63 2c8t s LEU 32 Cb -0.13 -2.04 0.35 0.00 0.50 0.00 0.00 46.19 44.86 2c8t s LEU 32 CO 0.04 -0.59 1.25 0.61 -1.32 0.00 0.00 176.35 176.34 2c8t n GLY 33 N 4.30 4.06 1.78 7.98 0.00 -1.26 -0.73 105.19 121.32 2c8t n GLY 33 Ca 0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 2c8t n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c8t n SER 34 N -0.72 -0.98 -3.93 1.61 3.41 -1.23 -4.78 113.62 107.00 2c8t n SER 34 Ca 0.16 -1.62 -0.56 0.00 -0.26 0.00 0.00 58.87 56.59 2c8t n SER 34 Cb 0.67 1.62 -0.08 0.00 -0.26 0.00 0.00 64.21 66.15 2c8t n SER 34 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2c8t n GLU 35 N -0.29 0.00 -2.19 4.33 4.07 -1.26 -4.40 120.64 120.90 2c8t n GLU 35 Ca -0.03 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.76 2c8t n GLU 35 Cb 0.28 -1.25 -0.05 0.00 -0.06 0.00 0.00 31.44 30.36 2c8t n GLU 35 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2c8t s VAL 36 N 2.12 3.61 0.50 6.31 1.01 0.26 -4.85 120.40 129.37 2c8t s VAL 36 Ca 0.86 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 62.18 2c8t s VAL 36 Cb -1.22 -4.44 0.02 0.00 0.00 0.00 0.00 36.38 30.74 2c8t s VAL 36 CO 0.65 -1.22 0.42 0.54 0.00 0.00 0.00 175.10 175.49 2c8t s ASN 37 N 6.76 4.79 0.17 3.32 4.22 -1.26 -1.12 114.94 131.82 2c8t s ASN 37 Ca 0.64 -1.04 -0.14 0.00 -2.14 0.00 0.00 52.86 50.17 2c8t s ASN 37 Cb -0.03 0.05 0.09 0.00 1.28 0.00 0.00 41.25 42.64 2c8t s ASN 37 CO 0.02 -0.96 1.80 0.44 -2.04 0.00 0.00 177.10 176.36 2c8t h ASP 38 N 0.81 0.40 0.10 3.54 3.32 -1.95 0.44 116.42 123.09 2c8t h ASP 38 Ca -0.38 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.71 2c8t h ASP 38 Cb 1.29 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.73 2c8t h ASP 38 CO 0.56 0.28 -0.35 -0.08 -1.72 0.00 0.00 179.24 177.94 2c8t h GLU 39 N 0.51 -0.55 -0.80 3.56 4.57 -1.97 0.94 114.58 120.84 2c8t h GLU 39 Ca 0.19 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 2c8t h GLU 39 Cb 0.06 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 2c8t h GLU 39 CO -0.11 -0.36 0.42 0.82 -1.18 0.00 0.00 179.01 178.60 2c8t h ILE 40 N -0.57 1.24 -0.13 2.32 2.04 -1.84 -1.90 117.51 118.67 2c8t h ILE 40 Ca 0.03 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.31 2c8t h ILE 40 Cb 0.61 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 2c8t h ILE 40 CO -0.21 0.27 -0.10 0.00 0.00 0.00 0.00 178.15 178.11 2c8t h ALA 41 N 1.22 0.01 -0.51 1.87 0.00 -0.56 0.18 119.26 121.47 2c8t h ALA 41 Ca 0.28 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.30 2c8t h ALA 41 Cb 0.05 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2c8t h ALA 41 CO -0.04 -0.55 0.21 -0.91 0.00 0.00 0.00 179.25 177.96 2c8t h ASN 42 N -0.10 0.24 -0.69 0.00 2.35 -0.60 -0.44 115.58 116.34 2c8t h ASN 42 Ca 0.08 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2c8t h ASN 42 Cb 0.22 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 2c8t h ASN 42 CO -0.19 0.17 0.23 -0.09 -1.65 0.00 0.00 177.43 175.89 2c8t h ARG 43 N 0.40 1.08 -0.16 0.81 2.43 -0.67 0.37 114.38 118.63 2c8t h ARG 43 Ca 0.24 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2c8t h ARG 43 Cb 0.23 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2c8t h ARG 43 CO -0.22 0.91 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.06 2c8t h LEU 44 N 1.04 0.31 -0.34 3.80 3.38 -0.52 -1.59 115.31 121.38 2c8t h LEU 44 Ca 0.23 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.91 2c8t h LEU 44 Cb 0.28 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2c8t h LEU 44 CO -0.01 0.58 0.03 0.00 0.09 0.00 0.00 178.44 179.13 2c8t h ALA 46 N 1.28 0.25 -0.33 0.00 0.00 -0.84 0.62 119.26 120.24 2c8t h ALA 46 Ca 0.16 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2c8t h ALA 46 Cb 0.21 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2c8t h ALA 46 CO -0.25 -0.48 0.18 1.96 0.00 0.00 0.00 179.25 180.66 2c8t h GLN 47 N -0.04 0.46 -0.34 0.00 4.20 -0.18 -0.53 115.11 118.68 2c8t h GLN 47 Ca 0.23 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.91 2c8t h GLN 47 Cb 0.39 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2c8t h GLN 47 CO -0.51 0.39 0.14 0.82 -0.67 0.00 0.00 178.83 179.00 2c8t h ILE 48 N 0.41 0.94 -0.49 2.54 2.04 -0.16 -1.03 117.51 121.77 2c8t h ILE 48 Ca 0.12 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.91 2c8t h ILE 48 Cb 0.06 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2c8t h ILE 48 CO -0.02 0.06 0.25 -0.07 0.00 0.00 0.00 178.15 178.37 2c8t h LEU 49 N 0.30 0.37 0.01 1.44 3.38 -0.56 -1.10 115.31 119.15 2c8t h LEU 49 Ca 0.15 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2c8t h LEU 49 Cb 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2c8t h LEU 49 CO -0.13 0.26 -0.04 0.25 0.09 0.00 0.00 178.44 178.87 2c8t h LEU 50 N 0.50 -0.12 -0.19 1.67 5.85 -0.72 0.02 115.31 122.32 2c8t h LEU 50 Ca 0.21 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2c8t h LEU 50 Cb 0.10 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2c8t h LEU 50 CO -0.14 -0.07 0.12 -0.07 -0.34 0.00 0.00 178.44 177.94 2c8t h LEU 51 N -0.08 0.20 -0.71 2.25 3.38 -0.98 0.33 115.31 119.70 2c8t h LEU 51 Ca 0.01 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2c8t h LEU 51 Cb 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2c8t h LEU 51 CO -0.04 0.14 0.43 0.00 0.09 0.00 0.00 178.44 179.07 2c8t h ALA 52 N 1.08 0.95 -0.47 1.53 0.00 -1.08 -1.82 119.26 119.44 2c8t h ALA 52 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2c8t h ALA 52 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2c8t h ALA 52 CO -0.03 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.41 2c8t h ALA 53 N 1.33 1.12 -0.14 0.00 0.00 -0.48 -2.87 119.26 118.22 2c8t h ALA 53 Ca 0.30 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2c8t h ALA 53 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2c8t h ALA 53 CO -0.13 0.56 -0.43 0.93 0.00 0.00 0.00 179.25 180.18 2c8t h GLU 54 N 0.72 0.32 -0.74 0.00 5.08 -0.36 -3.43 114.58 116.18 2c8t h GLU 54 Ca 0.14 -0.16 0.16 0.00 -1.00 0.00 0.00 59.36 58.51 2c8t h GLU 54 Cb 0.44 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.48 2c8t h GLU 54 CO 0.02 0.69 -0.04 0.34 -1.00 0.00 0.00 179.01 179.02 2c8t s ASP 55 N -6.87 -0.89 0.00 1.42 -1.08 -0.74 -5.05 116.67 103.46 2c8t s ASP 55 Ca -0.05 0.63 0.29 0.00 -0.52 0.00 0.00 52.55 52.90 2c8t s ASP 55 Cb 0.13 1.77 1.18 0.00 -1.46 0.00 0.00 42.92 44.54 2c8t s ASP 55 CO 0.79 -0.17 1.83 0.00 0.52 0.00 0.00 175.17 178.14 2c8t n ALA 56 N 5.41 2.79 -0.09 3.66 0.00 -1.10 -4.12 120.51 127.06 2c8t n ALA 56 Ca -0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 53.44 52.99 2c8t n ALA 56 Cb 0.52 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 2c8t n ALA 56 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2c8t n SER 57 N -0.86 1.72 -4.78 0.00 3.41 -1.26 -3.22 113.62 108.64 2c8t n SER 57 Ca 0.15 -0.06 -0.35 0.00 -0.26 0.00 0.00 58.87 58.35 2c8t n SER 57 Cb 0.28 0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 2c8t n SER 57 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2c8t s LYS 58 N -2.40 3.50 0.84 4.33 1.02 -1.26 -4.75 119.74 121.01 2c8t s LYS 58 Ca -0.18 1.59 -0.11 0.00 0.02 0.00 0.00 55.97 57.30 2c8t s LYS 58 Cb 0.06 -2.09 0.10 0.00 -0.52 0.00 0.00 37.83 35.38 2c8t s LYS 58 CO 0.57 -0.73 1.14 -0.51 -0.92 0.00 0.00 175.35 174.90 2c8t s ASP 59 N -1.74 3.64 -0.08 2.83 1.11 -1.26 -4.59 116.67 116.58 2c8t s ASP 59 Ca 0.70 2.10 0.03 0.00 0.18 0.00 0.00 52.55 55.57 2c8t s ASP 59 Cb -0.23 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.18 2c8t s ASP 59 CO 0.27 -2.62 -0.18 -0.63 1.18 0.00 0.00 175.17 173.19 2c8t s ILE 60 N -2.62 2.70 -0.26 0.77 1.01 -0.20 -4.87 121.20 117.73 2c8t s ILE 60 Ca 0.66 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 2c8t s ILE 60 Cb -0.22 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 2c8t s ILE 60 CO 0.55 0.56 0.10 -0.44 0.00 0.00 0.00 174.94 175.72 2c8t s SER 61 N -0.16 5.39 -0.26 3.58 0.01 -0.01 0.18 113.70 122.43 2c8t s SER 61 Ca -0.02 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.04 2c8t s SER 61 Cb -0.14 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2c8t s SER 61 CO 0.04 -0.04 0.01 -0.22 0.41 0.00 0.00 173.24 173.44 2c8t s LEU 62 N 1.66 3.37 -0.21 2.44 2.96 0.45 -0.49 118.68 128.86 2c8t s LEU 62 Ca 0.07 -0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 53.28 2c8t s LEU 62 Cb -0.15 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 2c8t s LEU 62 CO 0.06 -0.11 0.14 -0.31 -1.32 0.00 0.00 176.35 174.80 2c8t s TYR 63 N 1.47 3.39 -0.20 5.38 1.51 0.41 -1.05 117.35 128.25 2c8t s TYR 63 Ca 0.03 0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 56.39 2c8t s TYR 63 Cb -0.16 -2.19 0.01 0.00 -0.11 0.00 0.00 41.96 39.51 2c8t s TYR 63 CO -0.01 0.23 -0.14 0.42 -1.11 0.00 0.00 175.55 174.95 2c8t s ILE 64 N 0.53 2.58 -0.42 2.71 1.01 0.16 -0.66 121.20 127.10 2c8t s ILE 64 Ca 0.08 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.01 2c8t s ILE 64 Cb -0.12 -2.13 0.17 0.00 0.01 0.00 0.00 42.46 40.40 2c8t s ILE 64 CO -0.00 0.49 0.39 -3.20 0.00 0.00 0.00 174.94 172.62 2c8t n ASN 65 N 4.68 -0.86 -3.81 3.58 2.85 0.09 -0.34 115.26 121.44 2c8t n ASN 65 Ca -0.20 -2.44 -0.13 0.00 -0.11 0.00 0.00 54.58 51.70 2c8t n ASN 65 Cb 0.50 -0.26 -0.13 0.00 1.24 0.00 0.00 39.78 41.13 2c8t n ASN 65 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2c8t s SER 66 N 0.14 -0.14 0.00 1.20 0.15 0.50 -3.58 113.70 111.97 2c8t s SER 66 Ca 0.33 0.29 0.12 0.00 0.70 0.00 0.00 55.95 57.38 2c8t s SER 66 Cb 0.04 0.28 0.69 0.00 -1.71 0.00 0.00 66.02 65.31 2c8t s SER 66 CO -0.18 -0.06 1.42 -0.81 1.20 0.00 0.00 173.24 174.80 2c8t n PRO 67 N 3.18 0.96 0.00 5.44 -0.04 -1.26 -2.08 135.00 141.21 2c8t n PRO 67 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2c8t n PRO 67 Cb 0.58 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 2c8t n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c8t n GLY 68 N 0.64 0.06 0.00 0.55 0.00 -1.15 -4.42 105.19 100.87 2c8t n GLY 68 Ca 0.09 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2c8t n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c8t n GLY 69 N 0.00 0.69 3.60 -0.02 0.00 -1.26 0.93 105.19 109.13 2c8t n GLY 69 Ca 0.00 -1.70 -0.53 0.00 0.00 0.00 0.00 46.02 43.79 2c8t n GLY 69 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2c8t n SER 70 N 0.00 1.64 0.30 1.61 2.88 -0.28 -4.50 113.62 115.27 2c8t n SER 70 Ca 0.00 1.12 -0.17 0.00 -1.33 0.00 0.00 58.87 58.49 2c8t n SER 70 Cb 0.00 -1.16 -0.08 0.00 -0.75 0.00 0.00 64.21 62.21 2c8t n SER 70 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2c8t h ILE 71 N 3.58 0.27 -0.76 2.46 2.04 -1.99 -1.53 117.51 121.58 2c8t h ILE 71 Ca -0.48 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 2c8t h ILE 71 Cb 1.34 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2c8t h ILE 71 CO 0.80 0.00 0.30 0.77 0.00 0.00 0.00 178.15 180.02 2c8t h SER 72 N -0.84 1.05 -0.17 1.72 4.64 -1.96 0.43 113.55 118.42 2c8t h SER 72 Ca -0.06 -0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.15 2c8t h SER 72 Cb 0.71 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.47 2c8t h SER 72 CO 0.03 0.93 -0.19 0.00 -0.87 0.00 0.00 176.83 176.74 2c8t h ALA 73 N 1.22 -0.09 -0.20 5.18 0.00 -1.90 -0.37 119.26 123.10 2c8t h ALA 73 Ca 0.26 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2c8t h ALA 73 Cb 0.21 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2c8t h ALA 73 CO -0.02 -0.63 -0.06 0.78 0.00 0.00 0.00 179.25 179.32 2c8t h GLY 74 N -0.21 0.33 1.42 0.00 0.00 -0.24 -2.64 103.07 101.73 2c8t h GLY 74 Ca 0.11 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 2c8t h GLY 74 CO -0.30 0.18 -0.46 1.98 0.00 0.00 0.00 176.54 177.94 2c8t h MET 75 N 0.30 0.63 -0.52 4.80 -1.53 0.46 -0.88 114.93 118.20 2c8t h MET 75 Ca 0.07 -0.35 0.03 0.00 -3.44 0.00 0.00 59.70 56.00 2c8t h MET 75 Cb 0.31 0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.35 2c8t h MET 75 CO 0.01 0.95 0.30 0.00 0.14 0.00 0.00 176.91 178.32 2c8t h ALA 76 N 0.99 0.66 -0.11 0.39 0.00 -0.74 0.16 119.26 120.61 2c8t h ALA 76 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2c8t h ALA 76 Cb 0.99 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2c8t h ALA 76 CO 0.09 -0.00 0.08 0.82 0.00 0.00 0.00 179.25 180.23 2c8t h ILE 77 N 0.60 1.03 -0.21 0.00 2.04 -1.18 -1.91 117.51 117.87 2c8t h ILE 77 Ca 0.21 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 66.08 2c8t h ILE 77 Cb 0.04 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 2c8t h ILE 77 CO -0.11 0.03 -0.20 0.22 0.00 0.00 0.00 178.15 178.09 2c8t h TYR 78 N 0.15 -0.51 -0.80 1.37 3.20 -0.73 0.10 116.97 119.75 2c8t h TYR 78 Ca 0.04 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.08 2c8t h TYR 78 Cb -0.02 0.26 -0.09 0.00 1.54 0.00 0.00 36.73 38.42 2c8t h TYR 78 CO -0.07 -0.28 0.38 -0.44 -1.64 0.00 0.00 178.16 176.11 2c8t h ASP 79 N -0.21 0.43 -0.49 -2.11 3.32 -0.52 -1.22 116.42 115.63 2c8t h ASP 79 Ca 0.13 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 2c8t h ASP 79 Cb 0.40 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2c8t h ASP 79 CO -0.34 0.18 -0.10 0.74 -1.72 0.00 0.00 179.24 178.00 2c8t h THR 80 N 0.55 1.27 -0.29 0.35 2.02 -0.37 0.12 112.91 116.57 2c8t h THR 80 Ca 0.43 -1.23 0.07 0.00 0.77 0.00 0.00 66.41 66.45 2c8t h THR 80 Cb 0.62 1.07 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 2c8t h THR 80 CO -0.37 0.43 -0.18 0.24 0.37 0.00 0.00 175.52 176.00 2c8t h MET 81 N 0.78 -0.15 -0.54 6.66 2.86 -0.09 0.07 114.93 124.52 2c8t h MET 81 Ca 0.13 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2c8t h MET 81 Cb 0.65 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 2c8t h MET 81 CO 0.04 -0.10 0.31 0.28 1.06 0.00 0.00 176.91 178.51 2c8t h VAL 82 N -0.16 1.17 -0.02 -2.22 2.07 -0.96 -3.00 116.25 113.14 2c8t h VAL 82 Ca 0.15 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2c8t h VAL 82 Cb 0.39 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2c8t h VAL 82 CO -0.38 0.18 -0.15 0.25 0.02 0.00 0.00 177.57 177.48 2c8t h LEU 83 N 0.72 -0.45 -9.34 2.57 5.85 -0.49 -3.42 115.31 110.76 2c8t h LEU 83 Ca 0.19 0.07 -0.60 0.00 0.84 0.00 0.00 57.88 58.38 2c8t h LEU 83 Cb 0.01 0.19 0.03 0.00 0.37 0.00 0.00 40.66 41.27 2c8t h LEU 83 CO -0.03 -0.21 1.02 0.00 -0.34 0.00 0.00 178.44 178.88 2c8t n ALA 84 N -2.49 1.05 0.13 1.25 0.00 -0.01 -4.85 120.51 115.58 2c8t n ALA 84 Ca -0.05 0.33 0.08 0.00 0.00 0.00 0.00 53.44 53.79 2c8t n ALA 84 Cb 0.20 -2.46 0.56 0.00 0.00 0.00 0.00 19.45 17.75 2c8t n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2c8t h PRO 85 N 8.33 0.22 -7.22 0.00 0.11 -1.84 -3.44 132.00 128.17 2c8t h PRO 85 Ca -0.48 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.13 2c8t h PRO 85 Cb 1.27 -0.05 0.04 0.00 0.11 0.00 0.00 31.00 32.36 2c8t h PRO 85 CO 0.93 0.15 0.35 0.00 -0.21 0.00 0.00 178.00 179.22 2c8t n ASP 87 N -2.19 2.74 -4.02 0.00 8.00 -1.26 -4.88 116.55 114.94 2c8t n ASP 87 Ca 0.05 0.98 -0.31 0.00 0.71 0.00 0.00 54.79 56.22 2c8t n ASP 87 Cb 0.54 -1.58 -0.15 0.00 -0.02 0.00 0.00 41.12 39.91 2c8t n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2c8t s ILE 88 N -1.28 1.99 0.18 0.53 1.01 -1.26 -1.03 121.20 121.33 2c8t s ILE 88 Ca 0.72 -1.67 -0.27 0.00 0.00 0.00 0.00 60.65 59.42 2c8t s ILE 88 Cb -0.41 -2.22 -0.08 0.00 0.01 0.00 0.00 42.46 39.75 2c8t s ILE 88 CO 0.49 -0.18 0.85 0.00 0.00 0.00 0.00 174.94 176.10 2c8t s ALA 89 N 1.15 3.38 -0.05 9.38 0.00 0.13 -1.40 121.76 134.35 2c8t s ALA 89 Ca -0.04 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.45 2c8t s ALA 89 Cb -0.19 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 2c8t s ALA 89 CO -0.07 0.21 -0.23 0.99 0.00 0.00 0.00 175.76 176.67 2c8t s THR 90 N -0.97 1.91 -0.14 0.00 2.01 -0.18 -0.42 115.64 117.85 2c8t s THR 90 Ca 0.39 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 2c8t s THR 90 Cb -0.24 -1.62 0.04 0.00 0.01 0.00 0.00 72.50 70.69 2c8t s THR 90 CO 0.28 0.53 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.41 2c8t s TYR 91 N -0.15 1.34 -0.32 4.92 1.51 -0.22 0.88 117.35 125.31 2c8t s TYR 91 Ca -0.03 -0.80 -0.29 0.00 -1.01 0.00 0.00 57.07 54.95 2c8t s TYR 91 Cb -0.13 -1.15 0.02 0.00 -0.11 0.00 0.00 41.96 40.59 2c8t s TYR 91 CO 0.03 -0.54 1.07 0.00 -1.11 0.00 0.00 175.55 175.00 2c8t s ALA 92 N 1.75 3.49 -0.28 3.71 0.00 0.16 0.36 121.76 130.96 2c8t s ALA 92 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2c8t s ALA 92 Cb -0.14 -3.67 0.08 0.00 0.00 0.00 0.00 23.12 19.39 2c8t s ALA 92 CO -0.07 -1.49 0.04 1.41 0.00 0.00 0.00 175.76 175.65 2c8t s MET 93 N 3.65 1.08 0.81 0.00 0.00 0.53 -1.34 119.30 124.03 2c8t s MET 93 Ca 0.45 -1.11 0.00 0.00 0.00 0.00 0.00 55.69 55.03 2c8t s MET 93 Cb -0.12 -2.38 0.00 0.00 0.00 0.00 0.00 34.83 32.33 2c8t s MET 93 CO 0.15 -0.83 0.00 0.41 0.00 0.00 0.00 175.02 174.75 2c8t n GLY 94 N 4.72 1.45 2.96 2.11 0.00 -1.26 -3.84 105.19 111.33 2c8t n GLY 94 Ca -0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 2c8t n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2c8t s MET 95 N 0.00 0.12 -0.30 1.61 -2.45 -1.26 -0.94 119.30 116.07 2c8t s MET 95 Ca 0.00 0.34 0.02 0.00 -1.25 0.00 0.00 55.69 54.80 2c8t s MET 95 Cb 0.00 -0.11 0.09 0.00 1.25 0.00 0.00 34.83 36.06 2c8t s MET 95 CO 0.00 -0.13 0.04 0.00 1.05 0.00 0.00 175.02 175.97 2c8t s ALA 96 N 0.92 2.20 0.22 4.11 0.00 -0.63 -0.37 121.76 128.22 2c8t s ALA 96 Ca -0.07 -1.93 0.11 0.00 0.00 0.00 0.00 51.96 50.07 2c8t s ALA 96 Cb -0.09 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 2c8t s ALA 96 CO -0.05 -1.54 -0.21 0.00 0.00 0.00 0.00 175.76 173.96 2c8t s ALA 97 N 1.27 2.65 0.00 0.00 0.00 -0.88 -1.39 121.76 123.41 2c8t s ALA 97 Ca 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.32 2c8t s ALA 97 Cb -0.18 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2c8t s ALA 97 CO -0.13 0.38 0.00 0.43 0.00 0.00 0.00 175.76 176.44 2c8t n SER 98 N -0.05 0.00 0.19 0.00 7.64 -0.73 0.74 113.62 121.40 2c8t n SER 98 Ca -0.10 0.00 0.18 0.00 1.01 0.00 0.00 58.87 59.96 2c8t n SER 98 Cb 0.57 0.00 0.82 0.00 -1.01 0.00 0.00 64.21 64.59 2c8t n SER 98 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2c8t h MET 99 N 0.00 0.00 -0.45 1.43 0.00 -1.86 0.04 114.93 114.09 2c8t h MET 99 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 59.70 59.64 2c8t h MET 99 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 31.58 2c8t h MET 99 CO 0.00 0.00 0.04 0.78 0.00 0.00 0.00 176.91 177.73 2c8t h GLY 100 N 0.00 0.82 0.93 8.32 0.00 0.07 -1.13 103.07 112.08 2c8t h GLY 100 Ca 0.11 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 2c8t h GLY 100 CO -0.00 0.53 0.03 -2.09 0.00 0.00 0.00 176.54 175.01 2c8t h GLU 101 N 0.62 0.09 -0.49 4.80 4.22 -0.80 -0.43 114.58 122.58 2c8t h GLU 101 Ca 0.13 -0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.65 2c8t h GLU 101 Cb 0.43 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 2c8t h GLU 101 CO 0.01 0.14 0.08 0.35 -2.18 0.00 0.00 179.01 177.42 2c8t h PHE 102 N 0.01 0.13 -0.33 0.92 3.57 -1.10 0.18 116.94 120.32 2c8t h PHE 102 Ca 0.02 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.40 2c8t h PHE 102 Cb 0.08 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 2c8t h PHE 102 CO -0.05 -0.02 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.55 2c8t h LEU 103 N 0.21 0.92 -0.37 0.59 3.38 -1.11 0.11 115.31 119.04 2c8t h LEU 103 Ca 0.25 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.81 2c8t h LEU 103 Cb 0.34 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 2c8t h LEU 103 CO -0.34 1.22 -0.19 0.25 0.09 0.00 0.00 178.44 179.47 2c8t h LEU 104 N 0.64 -0.63 -1.55 1.67 5.85 -0.34 -2.16 115.31 118.78 2c8t h LEU 104 Ca 0.04 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 2c8t h LEU 104 Cb 0.99 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2c8t h LEU 104 CO 0.09 -0.22 -0.23 0.00 -0.34 0.00 0.00 178.44 177.75 2c8t h ALA 105 N 1.12 1.62 0.00 1.25 0.00 -0.20 -2.78 119.26 120.28 2c8t h ALA 105 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2c8t h ALA 105 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2c8t h ALA 105 CO -0.45 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.08 2c8t n ALA 106 N -2.50 2.43 -0.98 0.00 0.00 0.34 -4.87 120.51 114.94 2c8t n ALA 106 Ca -0.02 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 2c8t n ALA 106 Cb 0.28 -1.44 0.14 0.00 0.00 0.00 0.00 19.45 18.43 2c8t n ALA 106 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2c8t s GLY 107 N -2.24 1.66 -0.02 0.00 0.00 -1.05 -4.87 107.32 100.80 2c8t s GLY 107 Ca 0.34 0.33 -0.35 0.00 0.00 0.00 0.00 44.72 45.04 2c8t s GLY 107 CO 0.35 0.75 1.72 2.41 0.00 0.00 0.00 173.10 178.33 2c8t n THR 108 N -3.95 0.32 -1.71 0.90 -1.04 -0.49 -4.85 114.28 103.46 2c8t n THR 108 Ca 0.10 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.62 2c8t n THR 108 Cb 0.53 -1.59 -0.02 0.00 -1.82 0.00 0.00 70.33 67.43 2c8t n THR 108 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2c8t n LYS 109 N 5.13 2.33 0.00 -2.82 5.02 -1.26 -0.68 118.16 125.89 2c8t n LYS 109 Ca 0.21 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 2c8t n LYS 109 Cb 0.26 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 2c8t n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c8t n GLY 110 N 1.90 2.93 1.54 0.72 0.00 -1.26 -4.89 105.19 106.13 2c8t n GLY 110 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2c8t n GLY 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c8t n LYS 111 N -0.38 2.73 -3.79 1.61 5.02 0.15 -4.87 118.16 118.63 2c8t n LYS 111 Ca 0.00 -3.78 -0.36 0.00 -2.02 0.00 0.00 58.31 52.15 2c8t n LYS 111 Cb 0.00 -1.96 -0.13 0.00 -0.02 0.00 0.00 35.03 32.92 2c8t n LYS 111 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2c8t s ARG 112 N -3.39 3.54 0.17 1.97 0.52 -1.25 -1.01 118.95 119.50 2c8t s ARG 112 Ca 0.45 -0.55 0.10 0.00 -0.52 0.00 0.00 55.73 55.21 2c8t s ARG 112 Cb 0.39 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 2c8t s ARG 112 CO -0.01 -0.22 -0.20 0.71 0.02 0.00 0.00 175.30 175.60 2c8t s TYR 113 N 1.58 2.42 -0.04 -0.53 1.51 0.25 -0.05 117.35 122.50 2c8t s TYR 113 Ca 0.06 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.85 2c8t s TYR 113 Cb -0.15 -1.22 -0.00 0.00 -0.11 0.00 0.00 41.96 40.47 2c8t s TYR 113 CO 0.02 0.46 -0.16 0.00 -1.11 0.00 0.00 175.55 174.76 2c8t s ALA 114 N -1.51 1.42 0.48 3.71 0.00 -0.53 -0.66 121.76 124.67 2c8t s ALA 114 Ca 0.20 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.35 2c8t s ALA 114 Cb -0.09 -0.46 -0.08 0.00 0.00 0.00 0.00 23.12 22.49 2c8t s ALA 114 CO 0.11 0.27 0.94 -0.51 0.00 0.00 0.00 175.76 176.57 2c8t s LEU 115 N -0.01 3.70 0.43 0.00 1.43 -0.45 -1.57 118.68 122.21 2c8t s LEU 115 Ca -0.02 1.51 0.14 0.00 -1.03 0.00 0.00 54.13 54.72 2c8t s LEU 115 Cb -0.10 -4.42 1.01 0.00 0.03 0.00 0.00 46.19 42.71 2c8t s LEU 115 CO 0.01 -0.52 1.96 -0.65 0.23 0.00 0.00 176.35 177.38 2c8t h PRO 116 N 1.12 0.43 -0.39 1.29 0.11 -1.91 0.60 132.00 133.25 2c8t h PRO 116 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2c8t h PRO 116 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2c8t h PRO 116 CO 0.62 0.28 0.00 0.72 -0.21 0.00 0.00 178.00 179.41 2c8t n HIS 117 N -4.47 0.52 -1.68 0.65 8.25 -1.26 -4.40 115.22 112.82 2c8t n HIS 117 Ca 0.11 -0.36 -0.38 0.00 -0.26 0.00 0.00 57.72 56.84 2c8t n HIS 117 Cb 0.41 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.57 2c8t n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2c8t n ALA 118 N 1.06 0.81 -2.77 -1.41 0.00 0.20 -4.76 120.51 113.65 2c8t n ALA 118 Ca 0.16 0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 2c8t n ALA 118 Cb 0.50 -2.24 -0.13 0.00 0.00 0.00 0.00 19.45 17.58 2c8t n ALA 118 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2c8t s ARG 119 N -2.98 0.54 -0.19 0.00 1.70 -0.12 -3.08 118.95 114.81 2c8t s ARG 119 Ca 0.77 -0.43 -0.08 0.00 -0.47 0.00 0.00 55.73 55.52 2c8t s ARG 119 Cb -0.41 -0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 33.47 2c8t s ARG 119 CO 0.45 0.12 0.07 0.42 -1.08 0.00 0.00 175.30 175.28 2c8t s ILE 120 N -0.59 4.81 -0.18 4.99 1.09 -0.81 -1.61 121.20 128.91 2c8t s ILE 120 Ca -0.02 -0.02 -0.01 0.00 -1.10 0.00 0.00 60.65 59.50 2c8t s ILE 120 Cb -0.05 -3.18 0.00 0.00 -1.06 0.00 0.00 42.46 38.17 2c8t s ILE 120 CO 0.00 0.44 -0.14 -0.76 -0.10 0.00 0.00 174.94 174.39 2c8t s LEU 121 N 0.50 2.51 0.25 2.97 2.01 -0.49 0.18 118.68 126.62 2c8t s LEU 121 Ca 0.04 -0.49 -0.14 0.00 0.01 0.00 0.00 54.13 53.55 2c8t s LEU 121 Cb -0.13 -1.59 -0.08 0.00 0.01 0.00 0.00 46.19 44.40 2c8t s LEU 121 CO 0.01 0.04 0.65 -0.04 1.01 0.00 0.00 176.35 178.02 2c8t s MET 122 N 1.07 4.00 -0.26 1.70 -1.94 -0.60 -1.78 119.30 121.49 2c8t s MET 122 Ca -0.00 0.58 -0.12 0.00 -1.71 0.00 0.00 55.69 54.43 2c8t s MET 122 Cb -0.15 -2.66 0.09 0.00 2.01 0.00 0.00 34.83 34.13 2c8t s MET 122 CO -0.04 0.30 0.61 -1.58 -0.01 0.00 0.00 175.02 174.30 2c8t s HIS 123 N -1.76 -1.06 -0.16 -0.03 5.04 -1.26 -3.86 115.29 112.20 2c8t s HIS 123 Ca 0.47 2.00 -0.31 0.00 -1.54 0.00 0.00 55.06 55.69 2c8t s HIS 123 Cb -0.13 0.60 -0.08 0.00 0.04 0.00 0.00 32.58 33.01 2c8t s HIS 123 CO 0.19 -0.54 2.10 0.94 -2.34 0.00 0.00 174.74 175.09 2c8t n GLN 124 N 4.78 2.06 -3.18 2.88 -0.06 -0.89 -4.79 117.38 118.18 2c8t n GLN 124 Ca -0.17 0.66 -0.33 0.00 -2.00 0.00 0.00 57.00 55.16 2c8t n GLN 124 Cb 0.54 -2.95 -0.06 0.00 -4.06 0.00 0.00 30.24 23.71 2c8t n GLN 124 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2c8t s PRO 125 N 5.49 4.00 0.00 3.69 0.04 -1.26 -5.05 135.00 141.92 2c8t s PRO 125 Ca 0.98 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2c8t s PRO 125 Cb -0.51 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2c8t s PRO 125 CO 0.42 0.22 0.00 1.28 0.04 0.00 0.00 177.00 178.97 2c8t n LEU 126 N -0.14 0.00 -0.09 -3.56 4.77 -1.26 -5.10 117.00 111.62 2c8t n LEU 126 Ca 0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 2c8t n LEU 126 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2c8t n LEU 126 CO 0.42 0.00 -0.65 -0.38 -1.33 0.00 0.00 177.39 175.46 2c8t n ILE 136 N 0.00 1.44 -0.29 -0.08 5.41 -1.26 -5.18 119.36 119.40 2c8t n ILE 136 Ca 0.00 0.16 0.06 0.00 1.00 0.00 0.00 62.75 63.96 2c8t n ILE 136 Cb 0.00 -2.32 0.21 0.00 -0.71 0.00 0.00 39.64 36.82 2c8t n ILE 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2c8t h ALA 137 N -1.04 1.24 -0.48 -1.39 0.00 -2.06 -1.51 119.26 114.02 2c8t h ALA 137 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2c8t h ALA 137 Cb 0.95 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2c8t h ALA 137 CO 0.00 -0.06 0.32 0.82 0.00 0.00 0.00 179.25 180.33 2c8t h ILE 138 N 0.65 1.12 -0.08 0.00 5.03 -2.06 -2.82 117.51 119.34 2c8t h ILE 138 Ca 0.44 -0.22 -0.06 0.00 -0.12 0.00 0.00 64.86 64.90 2c8t h ILE 138 Cb 0.58 0.42 -0.01 0.00 -3.03 0.00 0.00 36.82 34.78 2c8t h ILE 138 CO -0.34 0.12 -0.23 1.56 -0.68 0.00 0.00 178.15 178.58 2c8t h GLN 139 N 0.65 0.14 0.33 2.37 4.20 -1.76 -2.78 115.11 118.26 2c8t h GLN 139 Ca 0.18 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 2c8t h GLN 139 Cb -0.07 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2c8t h GLN 139 CO -0.04 0.37 -0.16 0.00 -0.67 0.00 0.00 178.83 178.33 2c8t h ALA 140 N 1.64 -0.45 -0.72 3.87 0.00 -1.11 -0.91 119.26 121.60 2c8t h ALA 140 Ca 0.02 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2c8t h ALA 140 Cb 0.48 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 2c8t h ALA 140 CO 0.03 -0.68 -0.48 0.93 0.00 0.00 0.00 179.25 179.05 2c8t h GLU 141 N -0.59 -0.16 -0.48 0.00 5.08 -1.37 0.96 114.58 118.02 2c8t h GLU 141 Ca -0.05 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2c8t h GLU 141 Cb 0.43 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2c8t h GLU 141 CO 0.07 -0.11 0.24 1.96 -1.00 0.00 0.00 179.01 180.18 2c8t h GLN 142 N -0.16 0.46 -0.05 2.33 4.20 -1.40 -1.02 115.11 119.47 2c8t h GLN 142 Ca 0.19 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2c8t h GLN 142 Cb 0.54 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2c8t h GLN 142 CO -0.78 0.30 0.02 0.35 -0.67 0.00 0.00 178.83 178.06 2c8t h PHE 143 N 0.47 0.07 -0.40 2.96 3.57 -0.36 -0.74 116.94 122.52 2c8t h PHE 143 Ca 0.21 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.78 2c8t h PHE 143 Cb 0.12 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 2c8t h PHE 143 CO -0.10 0.18 -0.01 0.00 -2.23 0.00 0.00 178.31 176.14 2c8t h ALA 144 N 0.89 0.35 -0.49 2.41 0.00 -0.44 0.24 119.26 122.22 2c8t h ALA 144 Ca 0.02 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2c8t h ALA 144 Cb 0.13 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2c8t h ALA 144 CO -0.00 -0.40 0.28 0.28 0.00 0.00 0.00 179.25 179.41 2c8t h VAL 145 N 0.09 1.02 0.00 0.00 2.07 -0.97 -1.77 116.25 116.70 2c8t h VAL 145 Ca 0.19 -0.19 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 2c8t h VAL 145 Cb 0.28 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2c8t h VAL 145 CO -0.33 0.10 -0.75 -0.29 0.02 0.00 0.00 177.57 176.32 2c8t h ILE 146 N 0.56 1.36 -0.18 4.57 2.10 -0.48 -2.51 117.51 122.92 2c8t h ILE 146 Ca 0.20 -2.72 -0.06 0.00 1.08 0.00 0.00 64.86 63.36 2c8t h ILE 146 Cb 0.05 2.54 -0.00 0.00 -1.09 0.00 0.00 36.82 38.32 2c8t h ILE 146 CO -0.11 0.73 -0.13 0.50 -1.08 0.00 0.00 178.15 178.06 2c8t h LYS 147 N 0.00 0.41 -0.71 2.19 3.64 -0.43 -1.26 116.57 120.41 2c8t h LYS 147 Ca -0.01 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.20 2c8t h LYS 147 Cb 1.48 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.26 2c8t h LYS 147 CO 0.10 0.74 0.45 -0.22 -2.27 0.00 0.00 179.45 178.25 2c8t h LYS 148 N 0.07 0.88 -0.49 1.90 3.64 -1.35 -1.70 116.57 119.52 2c8t h LYS 148 Ca 0.03 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2c8t h LYS 148 Cb 0.65 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2c8t h LYS 148 CO 0.04 0.58 0.12 1.49 -2.27 0.00 0.00 179.45 179.41 2c8t h GLU 149 N 0.90 0.75 0.23 1.90 4.57 -1.36 -1.01 114.58 120.55 2c8t h GLU 149 Ca 0.27 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2c8t h GLU 149 Cb -0.03 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 2c8t h GLU 149 CO -0.09 0.67 -0.11 1.98 -1.18 0.00 0.00 179.01 180.28 2c8t h MET 150 N 0.72 -0.30 -0.78 1.92 4.05 -0.63 -2.01 114.93 117.90 2c8t h MET 150 Ca 0.16 0.02 0.17 0.00 -0.28 0.00 0.00 59.70 59.77 2c8t h MET 150 Cb 0.26 0.07 -0.11 0.00 -0.80 0.00 0.00 31.60 31.02 2c8t h MET 150 CO -0.00 0.02 0.27 0.74 0.23 0.00 0.00 176.91 178.16 2c8t h PHE 151 N -0.63 0.44 -0.29 1.39 0.05 -1.20 0.28 116.94 116.98 2c8t h PHE 151 Ca -0.03 0.04 0.05 0.00 3.82 0.00 0.00 57.97 61.85 2c8t h PHE 151 Cb 0.45 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.28 2c8t h PHE 151 CO 0.02 -0.03 0.02 -0.09 -0.18 0.00 0.00 178.31 178.05 2c8t h ARG 152 N 0.36 0.10 -0.13 1.51 2.43 -1.07 -1.31 114.38 116.27 2c8t h ARG 152 Ca 0.45 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.43 2c8t h ARG 152 Cb 0.77 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2c8t h ARG 152 CO -0.48 0.07 -0.70 -0.07 -1.51 0.00 0.00 179.97 177.28 2c8t h LEU 153 N 0.11 0.65 -0.40 3.80 3.38 -0.37 -1.75 115.31 120.72 2c8t h LEU 153 Ca 0.14 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2c8t h LEU 153 Cb 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2c8t h LEU 153 CO -0.22 1.16 0.25 -1.13 0.09 0.00 0.00 178.44 178.59 2c8t h ASN 154 N 0.39 0.43 -0.45 -0.43 -0.00 -0.30 0.31 115.58 115.53 2c8t h ASN 154 Ca -0.03 -0.01 0.06 0.00 -0.00 0.00 0.00 56.30 56.33 2c8t h ASN 154 Cb 1.28 -0.10 -0.05 0.00 -0.00 0.00 0.00 38.32 39.45 2c8t h ASN 154 CO 0.13 0.31 0.15 0.00 -0.00 0.00 0.00 177.43 178.01 2c8t h ALA 155 N 1.16 0.53 -0.17 1.57 0.00 -1.16 -1.33 119.26 119.85 2c8t h ALA 155 Ca 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2c8t h ALA 155 Cb -0.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2c8t h ALA 155 CO -0.05 -0.25 0.05 1.49 0.00 0.00 0.00 179.25 180.49 2c8t h GLU 156 N 0.31 0.27 -0.27 0.00 4.81 -0.37 0.47 114.58 119.79 2c8t h GLU 156 Ca 0.21 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 2c8t h GLU 156 Cb 0.22 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2c8t h GLU 156 CO -0.23 0.40 0.19 0.74 -0.73 0.00 0.00 179.01 179.38 2c8t h PHE 157 N 0.09 0.09 0.00 0.92 0.05 -0.17 -3.18 116.94 114.74 2c8t h PHE 157 Ca 0.05 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.85 2c8t h PHE 157 Cb 0.25 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 38.17 2c8t h PHE 157 CO 0.01 0.05 -1.46 -2.37 -0.18 0.00 0.00 178.31 174.35 2c8t n THR 158 N -4.47 0.00 -0.76 -1.55 5.66 -0.52 -4.82 114.28 107.81 2c8t n THR 158 Ca 0.03 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 2c8t n THR 158 Cb 0.29 0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 2c8t n THR 158 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2c8t n GLY 159 N 1.51 0.85 3.97 1.09 0.00 0.12 -4.24 105.19 108.48 2c8t n GLY 159 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2c8t n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c8t s GLN 160 N -0.24 3.26 0.40 1.61 -1.52 -1.03 -5.02 119.66 117.12 2c8t s GLN 160 Ca 0.00 -0.80 -0.25 0.00 -1.95 0.00 0.00 55.36 52.37 2c8t s GLN 160 Cb 0.00 -2.80 -0.09 0.00 -0.22 0.00 0.00 33.01 29.91 2c8t s GLN 160 CO 0.00 0.15 1.10 -2.14 -0.25 0.00 0.00 175.29 174.16 2c8t s PRO 161 N -4.17 4.12 0.29 2.91 0.02 -1.26 -4.58 135.00 132.32 2c8t s PRO 161 Ca 0.41 1.66 0.03 0.00 0.02 0.00 0.00 61.00 63.13 2c8t s PRO 161 Cb -0.09 -2.62 0.68 0.00 0.02 0.00 0.00 34.50 32.49 2c8t s PRO 161 CO 0.32 -0.22 1.73 0.82 -0.33 0.00 0.00 177.00 179.33 2c8t h ILE 162 N 2.26 0.61 -1.00 2.83 2.04 -1.93 0.11 117.51 122.43 2c8t h ILE 162 Ca -0.48 -0.19 0.14 0.00 1.00 0.00 0.00 64.86 65.32 2c8t h ILE 162 Cb 1.22 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.22 2c8t h ILE 162 CO 0.62 0.10 0.63 -0.33 0.00 0.00 0.00 178.15 179.17 2c8t h GLU 163 N 0.55 0.92 0.11 2.37 3.07 -1.98 -0.72 114.58 118.90 2c8t h GLU 163 Ca 0.54 -0.06 -0.29 0.00 -0.50 0.00 0.00 59.36 59.06 2c8t h GLU 163 Cb 0.91 -0.21 0.03 0.00 -0.84 0.00 0.00 28.75 28.64 2c8t h GLU 163 CO -0.44 0.61 -1.19 -0.09 -1.40 0.00 0.00 179.01 176.50 2c8t h ARG 164 N 0.94 0.62 -0.70 2.33 2.43 -1.19 -1.83 114.38 116.99 2c8t h ARG 164 Ca 0.51 -0.80 0.14 0.00 -0.81 0.00 0.00 59.98 59.02 2c8t h ARG 164 Cb 0.58 0.26 -0.10 0.00 -0.42 0.00 0.00 29.97 30.29 2c8t h ARG 164 CO -0.29 1.36 0.21 0.82 -1.51 0.00 0.00 179.97 180.57 2c8t h ILE 165 N 0.25 0.62 0.43 1.20 1.08 -0.89 0.35 117.51 120.54 2c8t h ILE 165 Ca -0.18 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 2c8t h ILE 165 Cb 1.86 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.87 2c8t h ILE 165 CO 0.23 0.06 -0.20 -0.33 -0.69 0.00 0.00 178.15 177.22 2c8t h GLU 166 N 0.34 -0.55 -0.79 2.37 5.08 -1.12 -2.16 114.58 117.75 2c8t h GLU 166 Ca 0.38 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.93 2c8t h GLU 166 Cb 0.59 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.87 2c8t h GLU 166 CO -0.43 -0.24 0.34 0.00 -1.00 0.00 0.00 179.01 177.68 2c8t h ALA 167 N -0.60 1.15 -0.23 3.43 0.00 -1.24 -0.84 119.26 120.93 2c8t h ALA 167 Ca -0.06 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2c8t h ALA 167 Cb 0.56 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2c8t h ALA 167 CO 0.10 -0.20 -0.43 -0.44 0.00 0.00 0.00 179.25 178.28 2c8t h ASP 168 N 0.48 0.61 -0.59 0.00 3.32 -0.95 -2.48 116.42 116.81 2c8t h ASP 168 Ca 0.44 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 2c8t h ASP 168 Cb 0.68 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2c8t h ASP 168 CO -0.41 0.96 0.07 0.28 -1.72 0.00 0.00 179.24 178.43 2c8t h SER 169 N 0.47 0.98 -0.67 6.45 0.02 -0.64 -2.27 113.55 117.89 2c8t h SER 169 Ca 0.03 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 2c8t h SER 169 Cb 0.94 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 2c8t h SER 169 CO 0.08 1.00 0.20 0.44 -1.14 0.00 0.00 176.83 177.41 2c8t h ASP 170 N 0.95 1.00 -0.33 3.07 3.32 -0.95 -2.28 116.42 121.20 2c8t h ASP 170 Ca 0.19 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2c8t h ASP 170 Cb 0.45 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2c8t h ASP 170 CO 0.02 0.94 0.00 -2.11 -1.72 0.00 0.00 179.24 176.37 2c8t n ARG 171 N -4.25 1.85 -2.44 3.56 1.85 -0.95 -4.89 116.66 111.37 2c8t n ARG 171 Ca 0.05 -1.22 -0.16 0.00 -1.00 0.00 0.00 57.85 55.52 2c8t n ARG 171 Cb 0.23 -1.30 -0.01 0.00 -1.05 0.00 0.00 32.46 30.33 2c8t n ARG 171 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2c8t n ASP 172 N 0.46 -4.80 -4.67 2.89 8.00 -0.98 -4.86 116.55 112.60 2c8t n ASP 172 Ca 0.11 0.09 -0.46 0.00 0.71 0.00 0.00 54.79 55.25 2c8t n ASP 172 Cb 0.31 -4.03 -0.04 0.00 -0.02 0.00 0.00 41.12 37.34 2c8t n ASP 172 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2c8t n ARG 173 N -2.92 2.09 -4.01 -1.24 0.63 -0.89 -4.64 116.66 105.68 2c8t n ARG 173 Ca -0.19 0.75 -0.23 0.00 -0.92 0.00 0.00 57.85 57.26 2c8t n ARG 173 Cb 0.64 -2.49 -0.06 0.00 0.45 0.00 0.00 32.46 31.01 2c8t n ARG 173 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 2c8t s TRP 174 N 0.64 2.69 0.00 -0.14 1.48 -1.26 -1.56 118.94 120.79 2c8t s TRP 174 Ca 0.76 -0.45 -0.03 0.00 -1.06 0.00 0.00 56.10 55.33 2c8t s TRP 174 Cb -0.68 -1.81 -0.01 0.00 -1.16 0.00 0.00 33.47 29.81 2c8t s TRP 174 CO 0.41 0.22 0.04 -0.06 -4.06 0.00 0.00 176.95 173.50 2c8t s PHE 175 N -2.47 0.11 0.59 1.66 0.40 0.13 -4.98 117.98 113.42 2c8t s PHE 175 Ca 0.40 -0.23 -0.09 0.00 -0.60 0.00 0.00 56.93 56.42 2c8t s PHE 175 Cb -0.01 -0.09 -0.02 0.00 0.51 0.00 0.00 43.02 43.41 2c8t s PHE 175 CO 0.24 -0.17 0.96 0.99 0.70 0.00 0.00 175.22 177.93 2c8t s THR 176 N -1.03 4.38 0.18 0.64 2.01 -1.26 -1.92 115.64 118.64 2c8t s THR 176 Ca -0.11 0.49 -0.16 0.00 0.31 0.00 0.00 61.69 62.22 2c8t s THR 176 Cb -0.07 -3.73 0.12 0.00 0.01 0.00 0.00 72.50 68.83 2c8t s THR 176 CO 0.00 -0.87 1.67 0.00 -0.69 0.00 0.00 174.62 174.73 2c8t h ALA 177 N -0.21 0.35 -0.07 7.40 0.00 -1.75 0.56 119.26 125.54 2c8t h ALA 177 Ca -0.45 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.66 2c8t h ALA 177 Cb 1.22 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 2c8t h ALA 177 CO 0.62 -0.43 -0.30 0.00 0.00 0.00 0.00 179.25 179.14 2c8t h ALA 178 N 1.44 -0.38 -0.57 0.00 0.00 -1.91 -1.21 119.26 116.64 2c8t h ALA 178 Ca 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2c8t h ALA 178 Cb 0.34 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2c8t h ALA 178 CO -0.44 -0.79 0.21 0.93 0.00 0.00 0.00 179.25 179.16 2c8t h GLU 179 N -0.41 0.82 -0.75 0.00 5.08 -1.72 -2.43 114.58 115.18 2c8t h GLU 179 Ca 0.08 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2c8t h GLU 179 Cb 0.53 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2c8t h GLU 179 CO -0.30 0.69 0.23 0.00 -1.00 0.00 0.00 179.01 178.63 2c8t h ALA 180 N 1.42 1.00 -0.78 3.43 0.00 0.35 -1.64 119.26 123.04 2c8t h ALA 180 Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2c8t h ALA 180 Cb 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2c8t h ALA 180 CO -0.02 0.67 0.39 1.25 0.00 0.00 0.00 179.25 181.54 2c8t h LEU 181 N 1.12 1.00 -0.35 0.00 5.85 -0.77 -2.16 115.31 120.00 2c8t h LEU 181 Ca 0.24 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 2c8t h LEU 181 Cb 0.31 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2c8t h LEU 181 CO -0.01 0.83 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.51 2c8t h GLU 182 N 1.10 0.67 0.00 1.25 5.08 -1.10 -3.14 114.58 118.44 2c8t h GLU 182 Ca 0.27 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2c8t h GLU 182 Cb 0.09 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2c8t h GLU 182 CO -0.04 0.84 -0.16 -0.92 -1.00 0.00 0.00 179.01 177.73 2c8t h TYR 183 N 0.46 0.00 0.00 4.33 3.20 -1.23 -3.47 116.97 120.26 2c8t h TYR 183 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2c8t h TYR 183 Cb 0.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2c8t h TYR 183 CO 0.05 0.16 0.00 0.41 -1.64 0.00 0.00 178.16 177.14 2c8t n GLY 184 N 0.40 1.18 0.26 1.82 0.00 -0.94 -4.71 105.19 103.19 2c8t n GLY 184 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 2c8t n GLY 184 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2c8t h PHE 185 N 0.00 0.00 -2.21 1.61 -1.00 -1.66 -3.37 116.94 110.31 2c8t h PHE 185 Ca 0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 2c8t h PHE 185 Cb 0.00 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 39.35 2c8t h PHE 185 CO 0.00 0.00 0.05 0.08 -1.61 0.00 0.00 178.31 176.83 2c8t s VAL 186 N -3.56 0.00 -0.13 -0.55 1.01 -1.25 -3.98 120.40 111.94 2c8t s VAL 186 Ca 0.03 -0.03 0.18 0.00 0.00 0.00 0.00 61.98 62.16 2c8t s VAL 186 Cb 0.08 -0.89 -0.19 0.00 0.00 0.00 0.00 36.38 35.38 2c8t s VAL 186 CO 0.57 -0.02 0.62 0.47 0.00 0.00 0.00 175.10 176.74 2c8t n ASP 187 N 2.20 0.52 -3.92 3.32 8.00 0.93 -4.50 116.55 123.12 2c8t n ASP 187 Ca -0.16 0.23 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 2c8t n ASP 187 Cb 0.56 0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 42.25 2c8t n ASP 187 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2c8t s HIS 188 N -2.97 0.14 -0.23 1.24 3.76 -0.74 -5.00 115.29 111.49 2c8t s HIS 188 Ca -0.05 -0.34 -0.06 0.00 -0.15 0.00 0.00 55.06 54.46 2c8t s HIS 188 Cb 0.09 -0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.64 2c8t s HIS 188 CO 0.83 -0.28 0.03 0.42 -0.85 0.00 0.00 174.74 174.89 2c8t s ILE 189 N -1.75 4.09 -0.05 0.60 1.01 -1.26 -1.46 121.20 122.38 2c8t s ILE 189 Ca -0.12 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 2c8t s ILE 189 Cb -0.06 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 2c8t s ILE 189 CO -0.01 0.38 0.31 0.27 0.00 0.00 0.00 174.94 175.89 2c8t s ILE 190 N 1.40 5.22 0.00 2.92 -4.36 -0.61 -4.95 121.20 120.81 2c8t s ILE 190 Ca 0.05 0.60 0.00 0.00 -0.26 0.00 0.00 60.65 61.04 2c8t s ILE 190 Cb -0.15 -3.60 0.00 0.00 1.25 0.00 0.00 42.46 39.97 2c8t s ILE 190 CO 0.02 0.58 0.00 0.41 0.24 0.00 0.00 174.94 176.19 2c8t n THR 191 N 1.96 0.00 -2.09 8.37 -1.04 -1.26 -4.01 114.28 116.21 2c8t n THR 191 Ca -0.16 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.53 2c8t n THR 191 Cb 0.53 -0.71 -0.00 0.00 -1.82 0.00 0.00 70.33 68.33 2c8t n THR 191 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2c8t s ARG 192 N 0.00 3.59 0.71 -2.82 0.52 -1.26 -5.03 118.95 114.66 2c8t s ARG 192 Ca 0.00 0.97 0.01 0.00 -0.52 0.00 0.00 55.73 56.19 2c8t s ARG 192 Cb 0.00 -2.08 0.13 0.00 0.52 0.00 0.00 34.95 33.52 2c8t s ARG 192 CO 0.00 -0.58 0.98 0.00 0.02 0.00 0.00 175.30 175.73 2c8t s ALA 193 N -2.75 3.86 0.00 2.13 0.00 -1.26 -5.20 121.76 118.54 2c8t s ALA 193 Ca 0.59 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2c8t s ALA 193 Cb -0.12 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2c8t s ALA 193 CO 0.41 -1.43 0.00 0.72 0.00 0.00 0.00 175.76 175.45