#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 -0.59 -3.43 5.85 -2.05 0.10 115.31 114.59 2c8t h LEU 16 Ca 0.00 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.92 2c8t h LEU 16 Cb 0.00 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.18 2c8t h LEU 16 CO 0.00 -0.28 0.04 0.74 -0.34 0.00 0.00 178.44 178.60 2c8t h THR 17 N -0.35 0.56 -0.52 1.05 2.02 -2.06 -0.09 112.91 113.51 2c8t h THR 17 Ca 0.05 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 2c8t h THR 17 Cb 0.41 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2c8t h THR 17 CO -0.16 0.03 0.03 0.44 0.37 0.00 0.00 175.52 176.23 2c8t h ASP 18 N 0.16 0.88 -0.79 4.18 3.32 -1.90 -2.42 116.42 119.85 2c8t h ASP 18 Ca 0.31 -0.29 0.06 0.00 0.02 0.00 0.00 57.03 57.13 2c8t h ASP 18 Cb 0.49 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 2c8t h ASP 18 CO -0.47 0.95 0.47 -1.28 -1.72 0.00 0.00 179.24 177.19 2c8t h SER 19 N 0.78 0.73 0.22 6.45 0.87 -0.05 0.67 113.55 123.21 2c8t h SER 19 Ca 0.15 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2c8t h SER 19 Cb 0.48 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2c8t h SER 19 CO 0.02 0.46 -0.11 0.58 -0.53 0.00 0.00 176.83 177.25 2c8t h VAL 20 N 0.86 0.85 -0.40 2.23 2.07 -0.90 -1.85 116.25 119.10 2c8t h VAL 20 Ca 0.35 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2c8t h VAL 20 Cb 0.20 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2c8t h VAL 20 CO -0.18 0.09 0.17 1.88 0.02 0.00 0.00 177.57 179.54 2c8t h TYR 21 N -0.50 0.56 0.13 1.57 0.99 -1.08 -0.97 116.97 117.68 2c8t h TYR 21 Ca -0.03 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 2c8t h TYR 21 Cb 0.37 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 37.93 2c8t h TYR 21 CO -0.01 0.43 -0.06 0.93 -0.00 0.00 0.00 178.16 179.46 2c8t h GLU 22 N 0.56 -0.17 -0.94 4.88 5.08 -0.80 -0.53 114.58 122.66 2c8t h GLU 22 Ca 0.14 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2c8t h GLU 22 Cb 0.10 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 2c8t h GLU 22 CO -0.02 -0.01 0.61 0.00 -1.00 0.00 0.00 179.01 178.59 2c8t h ARG 23 N -0.29 1.10 0.00 2.33 3.08 -0.83 -1.21 114.38 118.55 2c8t h ARG 23 Ca -0.02 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 2c8t h ARG 23 Cb 0.23 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2c8t h ARG 23 CO 0.03 0.73 -0.33 1.25 -1.07 0.00 0.00 179.97 180.58 2c8t h LEU 24 N 1.13 0.00 -0.83 3.04 5.85 -1.03 -1.83 115.31 121.65 2c8t h LEU 24 Ca 0.39 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.99 2c8t h LEU 24 Cb 0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2c8t h LEU 24 CO -0.15 0.33 -0.53 0.25 -0.34 0.00 0.00 178.44 178.00 2c8t h LEU 25 N 0.00 0.17 -0.46 2.25 5.85 0.13 -0.42 115.31 122.83 2c8t h LEU 25 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2c8t h LEU 25 Cb 0.68 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2c8t h LEU 25 CO 0.04 0.67 0.00 -1.20 -0.34 0.00 0.00 178.44 177.61 2c8t n SER 26 N -3.92 0.45 -1.88 1.25 7.64 -0.70 -1.57 113.62 114.88 2c8t n SER 26 Ca -0.02 0.61 0.03 0.00 1.01 0.00 0.00 58.87 60.50 2c8t n SER 26 Cb 0.55 -0.70 0.37 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.99 4.47 -4.12 1.43 -0.58 -0.79 -4.93 120.64 114.13 2c8t n GLU 27 Ca 0.03 -3.14 -0.33 0.00 -0.42 0.00 0.00 57.16 53.30 2c8t n GLU 27 Cb 0.21 -2.24 -0.02 0.00 -0.57 0.00 0.00 31.44 28.83 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 0.32 -3.63 -5.14 3.49 5.12 -0.61 -4.87 116.66 111.34 2c8t n ARG 28 Ca 0.32 0.42 -0.30 0.00 -1.93 0.00 0.00 57.85 56.35 2c8t n ARG 28 Cb 1.25 -5.06 -0.17 0.00 -1.16 0.00 0.00 32.46 27.32 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 -3.42 1.90 0.02 0.55 1.01 -0.24 -0.50 121.20 120.52 2c8t s ILE 29 Ca 0.59 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2c8t s ILE 29 Cb -0.31 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2c8t s ILE 29 CO 0.90 0.53 -0.03 -0.63 0.00 0.00 0.00 174.94 175.71 2c8t s ILE 30 N 0.07 0.17 -0.07 2.92 1.01 0.25 -3.44 121.20 122.12 2c8t s ILE 30 Ca -0.09 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.82 2c8t s ILE 30 Cb -0.15 -0.28 -0.00 0.00 0.01 0.00 0.00 42.46 42.04 2c8t s ILE 30 CO 0.05 -0.39 -0.21 -0.36 0.00 0.00 0.00 174.94 174.03 2c8t s PHE 31 N -1.19 2.17 -0.50 3.97 0.40 -1.26 -0.59 117.98 120.98 2c8t s PHE 31 Ca -0.12 -0.74 -0.08 0.00 -0.60 0.00 0.00 56.93 55.39 2c8t s PHE 31 Cb -0.08 -1.45 0.13 0.00 0.51 0.00 0.00 43.02 42.12 2c8t s PHE 31 CO -0.01 -0.28 0.36 -1.17 0.70 0.00 0.00 175.22 174.83 2c8t s LEU 32 N 0.15 5.64 -0.06 -0.37 2.96 0.40 -4.94 118.68 122.47 2c8t s LEU 32 Ca -0.10 -2.10 0.09 0.00 -0.22 0.00 0.00 54.13 51.80 2c8t s LEU 32 Cb -0.15 -1.97 0.15 0.00 0.50 0.00 0.00 46.19 44.72 2c8t s LEU 32 CO 0.05 -0.62 1.09 0.61 -1.32 0.00 0.00 176.35 176.16 2c8t n GLY 33 N 4.63 3.78 0.00 7.98 0.00 -1.26 -0.94 105.19 119.37 2c8t n GLY 33 Ca -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.82 0.00 -4.67 1.61 3.41 -1.25 -4.77 113.62 107.14 2c8t n SER 34 Ca 0.08 -0.94 -0.63 0.00 -0.26 0.00 0.00 58.87 57.12 2c8t n SER 34 Cb 0.44 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.00 0.25 -2.32 4.33 4.07 -1.26 -4.35 120.64 121.36 2c8t n GLU 35 Ca 0.00 0.09 -0.35 0.00 -0.06 0.00 0.00 57.16 56.84 2c8t n GLU 35 Cb 0.00 -1.63 -0.04 0.00 -0.06 0.00 0.00 31.44 29.72 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 2.16 3.76 0.50 6.31 1.01 0.22 -4.84 120.40 129.52 2c8t s VAL 36 Ca 0.99 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2c8t s VAL 36 Cb -1.34 -4.71 0.02 0.00 0.00 0.00 0.00 36.38 30.35 2c8t s VAL 36 CO 0.71 -1.49 0.42 0.54 0.00 0.00 0.00 175.10 175.28 2c8t s ASN 37 N 5.94 4.78 0.18 3.32 4.22 -1.26 -0.94 114.94 131.18 2c8t s ASN 37 Ca 0.59 -1.05 -0.14 0.00 -2.14 0.00 0.00 52.86 50.12 2c8t s ASN 37 Cb -0.01 0.06 0.08 0.00 1.28 0.00 0.00 41.25 42.66 2c8t s ASN 37 CO 0.02 -0.96 1.83 0.44 -2.04 0.00 0.00 177.10 176.38 2c8t h ASP 38 N 0.82 0.55 0.26 3.54 3.32 -1.95 0.12 116.42 123.07 2c8t h ASP 38 Ca -0.38 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.67 2c8t h ASP 38 Cb 1.29 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 2c8t h ASP 38 CO 0.56 0.39 -0.35 -0.08 -1.72 0.00 0.00 179.24 178.04 2c8t h GLU 39 N 0.66 -0.64 -0.85 3.56 4.57 -1.97 0.18 114.58 120.08 2c8t h GLU 39 Ca 0.20 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 2c8t h GLU 39 Cb -0.02 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 2c8t h GLU 39 CO -0.07 -0.43 0.48 0.82 -1.18 0.00 0.00 179.01 178.63 2c8t h ILE 40 N -0.67 1.25 0.01 2.32 2.04 -1.83 -2.01 117.51 118.61 2c8t h ILE 40 Ca -0.00 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.28 2c8t h ILE 40 Cb 0.64 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2c8t h ILE 40 CO -0.12 0.27 -0.12 0.00 0.00 0.00 0.00 178.15 178.18 2c8t h ALA 41 N 1.26 -0.14 -0.54 1.87 0.00 -0.35 0.12 119.26 121.47 2c8t h ALA 41 Ca 0.30 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.32 2c8t h ALA 41 Cb 0.01 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 2c8t h ALA 41 CO -0.05 -0.61 -0.02 -0.91 0.00 0.00 0.00 179.25 177.65 2c8t h ASN 42 N -0.21 -0.28 -0.54 0.00 2.35 -0.45 -0.46 115.58 116.00 2c8t h ASN 42 Ca 0.04 0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 2c8t h ASN 42 Cb 0.25 0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 2c8t h ASN 42 CO -0.11 -0.10 0.24 -0.09 -1.65 0.00 0.00 177.43 175.71 2c8t h ARG 43 N 0.09 0.79 -0.13 0.81 2.43 -0.55 0.19 114.38 118.01 2c8t h ARG 43 Ca 0.27 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2c8t h ARG 43 Cb 0.43 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2c8t h ARG 43 CO -0.48 0.67 0.08 -0.07 -1.51 0.00 0.00 179.97 178.67 2c8t h LEU 44 N 0.72 0.15 -0.45 3.80 3.38 -0.32 0.41 115.31 123.01 2c8t h LEU 44 Ca 0.18 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.19 2c8t h LEU 44 Cb 0.16 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2c8t h LEU 44 CO -0.02 0.12 0.17 0.00 0.09 0.00 0.00 178.44 178.80 2c8t h ALA 46 N 1.29 0.22 -0.27 0.00 0.00 -0.33 0.22 119.26 120.39 2c8t h ALA 46 Ca 0.21 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2c8t h ALA 46 Cb 0.20 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2c8t h ALA 46 CO -0.21 -0.46 0.15 1.96 0.00 0.00 0.00 179.25 180.70 2c8t h GLN 47 N 0.00 0.31 -0.65 0.00 4.20 0.48 -0.91 115.11 118.54 2c8t h GLN 47 Ca 0.16 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.86 2c8t h GLN 47 Cb 0.24 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2c8t h GLN 47 CO -0.34 0.20 0.43 0.82 -0.67 0.00 0.00 178.83 179.27 2c8t h ILE 48 N 0.32 1.15 -0.20 2.54 2.04 -0.06 -1.47 117.51 121.84 2c8t h ILE 48 Ca 0.11 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2c8t h ILE 48 Cb 0.00 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2c8t h ILE 48 CO -0.05 0.16 0.12 -0.07 0.00 0.00 0.00 178.15 178.31 2c8t h LEU 49 N 0.87 0.21 -0.08 1.44 3.38 -0.64 -0.83 115.31 119.65 2c8t h LEU 49 Ca 0.24 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.24 2c8t h LEU 49 Cb -0.08 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2c8t h LEU 49 CO -0.06 0.15 -0.12 0.25 0.09 0.00 0.00 178.44 178.75 2c8t h LEU 50 N 0.25 -0.37 -0.20 1.67 5.85 -0.89 0.15 115.31 121.77 2c8t h LEU 50 Ca 0.08 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2c8t h LEU 50 Cb -0.01 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2c8t h LEU 50 CO -0.03 -0.17 0.11 -0.07 -0.34 0.00 0.00 178.44 177.95 2c8t h LEU 51 N -0.17 0.25 -0.57 2.25 3.38 -1.16 0.66 115.31 119.95 2c8t h LEU 51 Ca 0.07 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2c8t h LEU 51 Cb 0.27 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 2c8t h LEU 51 CO -0.18 0.25 0.26 0.00 0.09 0.00 0.00 178.44 178.86 2c8t h ALA 52 N 1.01 0.74 -0.32 1.53 0.00 -0.94 -1.88 119.26 119.40 2c8t h ALA 52 Ca 0.07 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2c8t h ALA 52 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2c8t h ALA 52 CO -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 179.25 179.14 2c8t h ALA 53 N 1.34 1.44 -0.12 0.00 0.00 -0.24 -2.81 119.26 118.88 2c8t h ALA 53 Ca 0.27 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2c8t h ALA 53 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2c8t h ALA 53 CO -0.22 0.40 -0.62 0.93 0.00 0.00 0.00 179.25 179.74 2c8t h GLU 54 N 0.47 0.41 -0.87 0.00 5.08 -0.27 -3.44 114.58 115.96 2c8t h GLU 54 Ca 0.10 -0.29 0.14 0.00 -1.00 0.00 0.00 59.36 58.32 2c8t h GLU 54 Cb 0.28 0.04 -0.21 0.00 0.50 0.00 0.00 28.75 29.36 2c8t h GLU 54 CO 0.01 0.90 -0.08 0.34 -1.00 0.00 0.00 179.01 179.17 2c8t s ASP 55 N -6.93 -1.00 0.00 1.42 -1.08 -0.76 -5.05 116.67 103.28 2c8t s ASP 55 Ca -0.06 0.74 0.29 0.00 -0.52 0.00 0.00 52.55 53.00 2c8t s ASP 55 Cb 0.11 1.88 1.23 0.00 -1.46 0.00 0.00 42.92 44.69 2c8t s ASP 55 CO 0.83 -0.19 1.89 0.00 0.52 0.00 0.00 175.17 178.22 2c8t n ALA 56 N 5.41 2.61 -0.11 3.66 0.00 -1.08 -4.13 120.51 126.86 2c8t n ALA 56 Ca -0.05 -0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 2c8t n ALA 56 Cb 0.52 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.32 1.84 -4.77 0.00 3.41 -1.26 -3.22 113.62 108.30 2c8t n SER 57 Ca 0.11 -0.11 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 2c8t n SER 57 Cb 0.30 -0.14 -0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.47 3.53 0.81 4.33 1.02 -1.26 -4.73 119.74 120.97 2c8t s LYS 58 Ca -0.28 1.67 -0.11 0.00 0.02 0.00 0.00 55.97 57.27 2c8t s LYS 58 Cb 0.08 -2.17 0.08 0.00 -0.52 0.00 0.00 37.83 35.29 2c8t s LYS 58 CO 0.59 -0.71 1.12 -0.51 -0.92 0.00 0.00 175.35 174.91 2c8t s ASP 59 N -1.61 4.03 -0.09 2.83 1.01 -1.26 -4.61 116.67 116.97 2c8t s ASP 59 Ca 0.69 1.97 0.02 0.00 0.71 0.00 0.00 52.55 55.94 2c8t s ASP 59 Cb -0.26 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.11 2c8t s ASP 59 CO 0.30 -2.36 -0.14 -0.63 0.21 0.00 0.00 175.17 172.55 2c8t s ILE 60 N -2.75 3.04 -0.24 0.77 1.01 -0.34 -4.86 121.20 117.83 2c8t s ILE 60 Ca 0.64 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 60.50 2c8t s ILE 60 Cb -0.20 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2c8t s ILE 60 CO 0.55 0.55 0.14 -0.44 0.00 0.00 0.00 174.94 175.74 2c8t s SER 61 N -0.13 5.82 -0.27 3.58 0.01 0.34 0.21 113.70 123.26 2c8t s SER 61 Ca -0.01 0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.24 2c8t s SER 61 Cb -0.14 -2.05 0.03 0.00 0.21 0.00 0.00 66.02 64.07 2c8t s SER 61 CO 0.03 0.03 -0.02 -0.22 0.41 0.00 0.00 173.24 173.48 2c8t s LEU 62 N 1.25 3.54 -0.20 2.44 2.96 0.95 -0.58 118.68 129.04 2c8t s LEU 62 Ca 0.06 -1.00 -0.14 0.00 -0.22 0.00 0.00 54.13 52.83 2c8t s LEU 62 Cb -0.14 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2c8t s LEU 62 CO 0.05 -0.19 0.32 -0.31 -1.32 0.00 0.00 176.35 174.91 2c8t s TYR 63 N 1.32 3.38 -0.18 5.38 1.51 0.24 -1.28 117.35 127.72 2c8t s TYR 63 Ca -0.02 0.53 -0.01 0.00 -1.01 0.00 0.00 57.07 56.56 2c8t s TYR 63 Cb -0.18 -2.43 -0.00 0.00 -0.11 0.00 0.00 41.96 39.24 2c8t s TYR 63 CO -0.02 0.06 -0.11 0.42 -1.11 0.00 0.00 175.55 174.79 2c8t s ILE 64 N 1.06 2.94 -0.44 2.71 1.01 0.11 -0.45 121.20 128.15 2c8t s ILE 64 Ca 0.16 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.20 2c8t s ILE 64 Cb -0.14 -2.29 0.17 0.00 0.01 0.00 0.00 42.46 40.22 2c8t s ILE 64 CO 0.06 0.48 0.46 0.21 0.00 0.00 0.00 174.94 176.15 2c8t s ASN 65 N 1.10 0.56 -0.03 3.58 2.47 -0.12 -0.40 114.94 122.11 2c8t s ASN 65 Ca 0.00 -2.57 -0.05 0.00 0.42 0.00 0.00 52.86 50.67 2c8t s ASN 65 Cb -0.14 0.32 0.01 0.00 -1.45 0.00 0.00 41.25 39.98 2c8t s ASN 65 CO -0.03 -0.14 0.11 -0.55 -3.72 0.00 0.00 177.10 172.77 2c8t s SER 66 N 0.40 -0.06 0.00 -4.21 0.15 0.50 -3.76 113.70 106.72 2c8t s SER 66 Ca 0.31 0.08 0.19 0.00 0.70 0.00 0.00 55.95 57.24 2c8t s SER 66 Cb 0.01 0.23 1.16 0.00 -1.71 0.00 0.00 66.02 65.70 2c8t s SER 66 CO -0.14 -0.13 1.74 -0.81 1.20 0.00 0.00 173.24 175.09 2c8t n PRO 67 N 2.56 0.99 0.00 5.44 -0.04 -1.26 -2.17 135.00 140.52 2c8t n PRO 67 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2c8t n PRO 67 Cb 0.58 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.79 -0.34 0.00 0.55 0.00 -1.20 -4.39 105.19 100.60 2c8t n GLY 68 Ca 0.15 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.08 3.61 -0.02 0.00 -1.26 0.71 105.19 108.15 2c8t n GLY 69 Ca 0.00 -1.18 -0.48 0.00 0.00 0.00 0.00 46.02 44.36 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 1.89 0.34 1.61 2.88 -0.11 -4.46 113.62 115.76 2c8t n SER 70 Ca 0.00 1.13 -0.17 0.00 -1.33 0.00 0.00 58.87 58.50 2c8t n SER 70 Cb 0.00 -1.28 -0.09 0.00 -0.75 0.00 0.00 64.21 62.09 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 2.98 0.35 -0.65 2.46 2.04 -1.99 -1.17 117.51 121.53 2c8t h ILE 71 Ca -0.45 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2c8t h ILE 71 Cb 1.32 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2c8t h ILE 71 CO 0.75 0.02 0.34 0.77 0.00 0.00 0.00 178.15 180.03 2c8t h SER 72 N -0.93 0.81 -0.03 1.72 4.64 -1.96 0.57 113.55 118.37 2c8t h SER 72 Ca -0.09 -0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.19 2c8t h SER 72 Cb 0.67 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 2c8t h SER 72 CO 0.14 0.67 -0.12 0.00 -0.87 0.00 0.00 176.83 176.65 2c8t h ALA 73 N 1.46 -0.11 -0.05 5.18 0.00 -1.89 0.18 119.26 124.03 2c8t h ALA 73 Ca 0.23 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2c8t h ALA 73 Cb 0.05 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2c8t h ALA 73 CO -0.04 -0.60 -0.23 0.78 0.00 0.00 0.00 179.25 179.16 2c8t h GLY 74 N -0.19 0.09 1.49 0.00 0.00 0.04 -2.67 103.07 101.82 2c8t h GLY 74 Ca 0.05 -0.06 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2c8t h GLY 74 CO -0.14 0.05 -0.69 1.98 0.00 0.00 0.00 176.54 177.73 2c8t h MET 75 N 0.08 0.51 -0.46 4.80 -1.53 0.79 -1.37 114.93 117.74 2c8t h MET 75 Ca 0.01 -0.39 0.06 0.00 -3.44 0.00 0.00 59.70 55.94 2c8t h MET 75 Cb 0.46 0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 31.53 2c8t h MET 75 CO 0.03 1.02 0.16 0.00 0.14 0.00 0.00 176.91 178.26 2c8t h ALA 76 N 0.88 0.56 -0.45 0.39 0.00 -0.67 -0.22 119.26 119.74 2c8t h ALA 76 Ca -0.03 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2c8t h ALA 76 Cb 1.27 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2c8t h ALA 76 CO 0.13 -0.23 0.28 0.82 0.00 0.00 0.00 179.25 180.25 2c8t h ILE 77 N 0.34 1.08 0.13 0.00 2.04 -1.19 -2.02 117.51 117.88 2c8t h ILE 77 Ca 0.22 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2c8t h ILE 77 Cb 0.22 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2c8t h ILE 77 CO -0.23 0.10 -0.11 0.22 0.00 0.00 0.00 178.15 178.14 2c8t h TYR 78 N 0.57 -0.28 -0.87 1.37 3.20 -0.77 0.68 116.97 120.87 2c8t h TYR 78 Ca 0.17 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.22 2c8t h TYR 78 Cb -0.03 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.24 2c8t h TYR 78 CO -0.06 -0.17 0.42 -0.44 -1.64 0.00 0.00 178.16 176.27 2c8t h ASP 79 N -0.25 0.45 -0.45 -2.11 3.32 -0.84 -0.25 116.42 116.29 2c8t h ASP 79 Ca -0.00 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 2c8t h ASP 79 Cb 0.23 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2c8t h ASP 79 CO -0.01 0.13 -0.01 0.74 -1.72 0.00 0.00 179.24 178.37 2c8t h THR 80 N 0.53 1.26 -0.26 0.35 2.02 -0.54 0.20 112.91 116.48 2c8t h THR 80 Ca 0.50 -1.06 0.05 0.00 0.77 0.00 0.00 66.41 66.68 2c8t h THR 80 Cb 0.83 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 2c8t h THR 80 CO -0.43 0.37 -0.08 0.24 0.37 0.00 0.00 175.52 175.99 2c8t h MET 81 N 0.65 -0.02 -0.35 6.66 2.86 0.31 0.68 114.93 125.73 2c8t h MET 81 Ca 0.13 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2c8t h MET 81 Cb 0.51 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2c8t h MET 81 CO 0.02 -0.01 0.21 0.28 1.06 0.00 0.00 176.91 178.47 2c8t h VAL 82 N -0.02 1.12 -0.18 -2.22 2.07 -0.79 -2.94 116.25 113.29 2c8t h VAL 82 Ca 0.13 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2c8t h VAL 82 Cb 0.22 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 2c8t h VAL 82 CO -0.28 0.12 -0.33 0.25 0.02 0.00 0.00 177.57 177.35 2c8t h LEU 83 N 0.46 -1.03 -9.36 2.57 5.85 -0.15 -3.42 115.31 110.23 2c8t h LEU 83 Ca 0.13 0.15 -0.60 0.00 0.84 0.00 0.00 57.88 58.40 2c8t h LEU 83 Cb 0.01 0.44 0.03 0.00 0.37 0.00 0.00 40.66 41.51 2c8t h LEU 83 CO -0.02 -0.35 1.01 0.00 -0.34 0.00 0.00 178.44 178.73 2c8t n ALA 84 N -2.87 1.12 0.13 1.25 0.00 0.19 -4.83 120.51 115.50 2c8t n ALA 84 Ca -0.02 0.33 0.07 0.00 0.00 0.00 0.00 53.44 53.82 2c8t n ALA 84 Cb 0.33 -2.46 0.54 0.00 0.00 0.00 0.00 19.45 17.86 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 8.17 0.24 -7.12 0.00 0.11 -1.83 -3.44 132.00 128.13 2c8t h PRO 85 Ca -0.47 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.13 2c8t h PRO 85 Cb 1.26 -0.05 0.03 0.00 0.11 0.00 0.00 31.00 32.35 2c8t h PRO 85 CO 0.93 0.16 0.28 0.00 -0.21 0.00 0.00 178.00 179.16 2c8t n ASP 87 N -2.04 2.40 -3.97 0.00 8.00 -1.26 -4.88 116.55 114.80 2c8t n ASP 87 Ca 0.04 0.91 -0.30 0.00 0.71 0.00 0.00 54.79 56.15 2c8t n ASP 87 Cb 0.54 -1.57 -0.16 0.00 -0.02 0.00 0.00 41.12 39.92 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 -1.33 1.57 0.11 0.53 1.01 -1.26 -1.20 121.20 120.62 2c8t s ILE 88 Ca 0.77 -1.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 2c8t s ILE 88 Cb -0.40 -1.71 -0.07 0.00 0.01 0.00 0.00 42.46 40.29 2c8t s ILE 88 CO 0.45 0.09 0.59 0.00 0.00 0.00 0.00 174.94 176.07 2c8t s ALA 89 N 1.41 3.56 -0.03 9.38 0.00 0.13 -1.28 121.76 134.94 2c8t s ALA 89 Ca -0.02 0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.03 2c8t s ALA 89 Cb -0.17 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 2c8t s ALA 89 CO -0.07 0.40 -0.23 0.99 0.00 0.00 0.00 175.76 176.84 2c8t s THR 90 N -1.24 1.87 -0.12 0.00 2.01 -0.45 -0.04 115.64 117.67 2c8t s THR 90 Ca 0.33 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 2c8t s THR 90 Cb -0.18 -1.56 0.04 0.00 0.01 0.00 0.00 72.50 70.80 2c8t s THR 90 CO 0.20 0.53 0.01 -0.31 -0.69 0.00 0.00 174.62 174.36 2c8t s TYR 91 N -0.40 0.81 -0.46 4.92 1.51 -0.40 0.71 117.35 124.04 2c8t s TYR 91 Ca 0.05 -0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 55.38 2c8t s TYR 91 Cb -0.10 -0.90 0.03 0.00 -0.11 0.00 0.00 41.96 40.88 2c8t s TYR 91 CO 0.01 -0.44 1.11 0.00 -1.11 0.00 0.00 175.55 175.11 2c8t s ALA 92 N 1.93 3.20 -0.31 3.71 0.00 0.23 0.06 121.76 130.59 2c8t s ALA 92 Ca 0.03 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.56 2c8t s ALA 92 Cb -0.14 -3.85 0.09 0.00 0.00 0.00 0.00 23.12 19.22 2c8t s ALA 92 CO -0.06 -2.15 0.02 1.41 0.00 0.00 0.00 175.76 174.97 2c8t s MET 93 N 4.30 1.50 1.44 0.00 0.00 0.46 -1.35 119.30 125.65 2c8t s MET 93 Ca 0.47 -1.56 0.00 0.00 0.00 0.00 0.00 55.69 54.59 2c8t s MET 93 Cb -0.08 -2.90 0.00 0.00 0.00 0.00 0.00 34.83 31.85 2c8t s MET 93 CO 0.29 -0.85 0.00 0.41 0.00 0.00 0.00 175.02 174.88 2c8t n GLY 94 N 4.42 1.43 2.83 2.11 0.00 -1.26 -3.88 105.19 110.83 2c8t n GLY 94 Ca -0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 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 0.25 -0.28 1.61 -2.45 -1.26 -0.34 119.30 116.82 2c8t s MET 95 Ca 0.00 0.06 0.03 0.00 -1.25 0.00 0.00 55.69 54.53 2c8t s MET 95 Cb 0.00 -0.40 0.08 0.00 1.25 0.00 0.00 34.83 35.75 2c8t s MET 95 CO 0.00 -0.11 -0.03 0.00 1.05 0.00 0.00 175.02 175.93 2c8t s ALA 96 N 0.84 2.47 0.25 4.11 0.00 -0.81 -0.37 121.76 128.26 2c8t s ALA 96 Ca -0.08 -1.92 0.10 0.00 0.00 0.00 0.00 51.96 50.06 2c8t s ALA 96 Cb -0.11 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 2c8t s ALA 96 CO -0.02 -1.39 -0.18 0.00 0.00 0.00 0.00 175.76 174.18 2c8t s ALA 97 N 1.13 2.48 0.00 0.00 0.00 -0.92 -1.05 121.76 123.41 2c8t s ALA 97 Ca -0.01 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.15 2c8t s ALA 97 Cb -0.19 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2c8t s ALA 97 CO -0.08 0.20 0.00 0.43 0.00 0.00 0.00 175.76 176.31 2c8t n SER 98 N -0.54 0.00 0.32 0.00 7.64 -0.66 0.15 113.62 120.54 2c8t n SER 98 Ca -0.06 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.00 2c8t n SER 98 Cb 0.60 0.00 0.95 0.00 -1.01 0.00 0.00 64.21 64.75 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 -0.37 1.43 0.00 -1.86 0.39 114.93 114.52 2c8t h MET 99 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 59.70 59.54 2c8t h MET 99 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.59 2c8t h MET 99 CO 0.00 0.00 -0.40 0.78 0.00 0.00 0.00 176.91 177.29 2c8t h GLY 100 N 0.00 0.98 0.89 8.32 0.00 0.11 -0.88 103.07 112.50 2c8t h GLY 100 Ca 0.01 -1.01 -0.06 0.00 0.00 0.00 0.00 47.33 46.27 2c8t h GLY 100 CO -0.00 0.91 -0.06 -2.09 0.00 0.00 0.00 176.54 175.30 2c8t h GLU 101 N 0.73 0.57 -0.22 4.80 4.22 0.38 -1.98 114.58 123.09 2c8t h GLU 101 Ca 0.06 -0.21 0.04 0.00 0.08 0.00 0.00 59.36 59.33 2c8t h GLU 101 Cb 0.98 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 2c8t h GLU 101 CO 0.10 0.75 -0.06 0.35 -2.18 0.00 0.00 179.01 177.97 2c8t h PHE 102 N 0.35 -0.14 -0.44 0.92 3.57 -1.19 0.37 116.94 120.38 2c8t h PHE 102 Ca 0.08 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 2c8t h PHE 102 Cb 0.53 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2c8t h PHE 102 CO 0.05 -0.11 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.82 2c8t h LEU 103 N -0.01 0.81 -0.24 0.59 3.38 -1.18 0.23 115.31 118.89 2c8t h LEU 103 Ca 0.11 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2c8t h LEU 103 Cb 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2c8t h LEU 103 CO -0.23 0.95 0.03 0.25 0.09 0.00 0.00 178.44 179.53 2c8t h LEU 104 N 0.73 -0.02 -1.69 1.67 5.85 -0.82 -2.19 115.31 118.83 2c8t h LEU 104 Ca 0.12 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2c8t h LEU 104 Cb 0.63 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 2c8t h LEU 104 CO 0.04 0.02 -0.14 0.00 -0.34 0.00 0.00 178.44 178.03 2c8t h ALA 105 N 1.18 1.17 -0.00 1.25 0.00 -0.09 -2.87 119.26 119.90 2c8t h ALA 105 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2c8t h ALA 105 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2c8t h ALA 105 CO -0.16 0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.23 2c8t n ALA 106 N -2.24 2.67 -0.76 0.00 0.00 0.73 -4.86 120.51 116.06 2c8t n ALA 106 Ca -0.01 -0.27 -0.31 0.00 0.00 0.00 0.00 53.44 52.85 2c8t n ALA 106 Cb 0.29 -1.38 0.16 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.22 1.71 0.05 0.00 0.00 -1.09 -4.88 107.32 100.88 2c8t s GLY 107 Ca 0.37 0.58 -0.35 0.00 0.00 0.00 0.00 44.72 45.32 2c8t s GLY 107 CO 0.41 0.99 1.58 2.41 0.00 0.00 0.00 173.10 178.49 2c8t n THR 108 N -4.14 0.13 -1.71 0.90 -1.04 -0.40 -4.86 114.28 103.16 2c8t n THR 108 Ca 0.12 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.67 2c8t n THR 108 Cb 0.52 -1.36 -0.03 0.00 -1.82 0.00 0.00 70.33 67.64 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 3.93 2.62 0.00 -2.82 5.02 -1.26 -0.67 118.16 124.98 2c8t n LYS 109 Ca 0.19 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.43 2c8t n LYS 109 Cb 0.24 -2.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.49 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 3.57 3.00 1.38 0.72 0.00 -1.26 -4.89 105.19 107.71 2c8t n GLY 110 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.76 2.52 -3.71 1.61 5.02 0.15 -4.87 118.16 118.13 2c8t n LYS 111 Ca 0.00 -3.64 -0.37 0.00 -2.02 0.00 0.00 58.31 52.28 2c8t n LYS 111 Cb 0.00 -1.96 -0.12 0.00 -0.02 0.00 0.00 35.03 32.93 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 -3.42 3.75 0.13 1.97 0.52 -1.25 -1.35 118.95 119.31 2c8t s ARG 112 Ca 0.46 -0.43 0.10 0.00 -0.52 0.00 0.00 55.73 55.34 2c8t s ARG 112 Cb 0.40 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 2c8t s ARG 112 CO -0.01 -0.17 -0.24 0.71 0.02 0.00 0.00 175.30 175.60 2c8t s TYR 113 N 1.62 2.14 -0.04 -0.53 1.51 0.22 -0.11 117.35 122.16 2c8t s TYR 113 Ca 0.06 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.78 2c8t s TYR 113 Cb -0.15 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.55 2c8t s TYR 113 CO 0.06 0.33 -0.17 0.00 -1.11 0.00 0.00 175.55 174.65 2c8t s ALA 114 N -1.25 1.52 0.51 3.71 0.00 -0.27 -0.60 121.76 125.39 2c8t s ALA 114 Ca 0.13 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 2c8t s ALA 114 Cb -0.09 -0.48 -0.08 0.00 0.00 0.00 0.00 23.12 22.47 2c8t s ALA 114 CO 0.06 0.30 0.98 -0.51 0.00 0.00 0.00 175.76 176.59 2c8t s LEU 115 N -0.07 3.65 0.39 0.00 1.43 -0.46 -1.73 118.68 121.89 2c8t s LEU 115 Ca -0.01 1.58 0.13 0.00 -1.03 0.00 0.00 54.13 54.80 2c8t s LEU 115 Cb -0.10 -4.51 0.94 0.00 0.03 0.00 0.00 46.19 42.54 2c8t s LEU 115 CO 0.02 -0.57 1.88 -0.65 0.23 0.00 0.00 176.35 177.25 2c8t h PRO 116 N 1.00 0.54 -0.48 1.29 0.11 -1.90 -0.03 132.00 132.53 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 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2c8t h PRO 116 CO 0.61 0.36 0.00 0.72 -0.21 0.00 0.00 178.00 179.48 2c8t n HIS 117 N -4.54 0.63 -1.77 0.65 8.25 -1.26 -4.37 115.22 112.82 2c8t n HIS 117 Ca 0.17 -0.38 -0.37 0.00 -0.26 0.00 0.00 57.72 56.88 2c8t n HIS 117 Cb 0.54 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.71 2c8t n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2c8t s ALA 118 N -1.15 2.46 0.02 -1.41 0.00 -0.03 -4.77 121.76 116.89 2c8t s ALA 118 Ca 0.37 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.57 2c8t s ALA 118 Cb 0.20 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2c8t s ALA 118 CO 0.27 -1.53 -0.06 -0.98 0.00 0.00 0.00 175.76 173.46 2c8t s ARG 119 N -3.30 0.46 -0.18 0.00 1.70 0.54 -3.26 118.95 114.91 2c8t s ARG 119 Ca 0.80 -0.49 -0.06 0.00 -0.47 0.00 0.00 55.73 55.52 2c8t s ARG 119 Cb -0.38 -0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 33.65 2c8t s ARG 119 CO 0.40 0.07 0.02 0.42 -1.08 0.00 0.00 175.30 175.13 2c8t s ILE 120 N -0.82 4.33 -0.19 4.99 1.09 -0.51 -1.92 121.20 128.17 2c8t s ILE 120 Ca -0.05 -0.20 -0.02 0.00 -1.10 0.00 0.00 60.65 59.29 2c8t s ILE 120 Cb -0.06 -2.94 -0.00 0.00 -1.06 0.00 0.00 42.46 38.40 2c8t s ILE 120 CO 0.00 0.46 -0.11 -0.76 -0.10 0.00 0.00 174.94 174.44 2c8t s LEU 121 N 0.50 2.61 0.28 2.97 2.01 -0.21 -0.21 118.68 126.64 2c8t s LEU 121 Ca 0.00 -0.47 -0.16 0.00 0.01 0.00 0.00 54.13 53.52 2c8t s LEU 121 Cb -0.13 -1.63 -0.09 0.00 0.01 0.00 0.00 46.19 44.35 2c8t s LEU 121 CO 0.02 0.02 0.72 -0.04 1.01 0.00 0.00 176.35 178.07 2c8t s MET 122 N 1.24 4.07 -0.27 1.70 -1.94 -0.56 -1.65 119.30 121.89 2c8t s MET 122 Ca 0.03 0.70 -0.10 0.00 -1.71 0.00 0.00 55.69 54.61 2c8t s MET 122 Cb -0.14 -2.59 0.11 0.00 2.01 0.00 0.00 34.83 34.21 2c8t s MET 122 CO -0.05 0.25 0.58 -1.58 -0.01 0.00 0.00 175.02 174.21 2c8t s HIS 123 N -1.82 -1.14 -0.48 -0.03 5.04 -1.26 -3.99 115.29 111.62 2c8t s HIS 123 Ca 0.50 2.06 -0.32 0.00 -1.54 0.00 0.00 55.06 55.75 2c8t s HIS 123 Cb -0.12 0.63 -0.12 0.00 0.04 0.00 0.00 32.58 33.01 2c8t s HIS 123 CO 0.19 -0.59 2.32 0.94 -2.34 0.00 0.00 174.74 175.26 2c8t n GLN 124 N 5.25 0.94 -2.90 2.88 -0.06 -0.94 -4.79 117.38 117.77 2c8t n GLN 124 Ca -0.12 0.19 -0.34 0.00 -2.00 0.00 0.00 57.00 54.72 2c8t n GLN 124 Cb 0.51 -2.57 -0.07 0.00 -4.06 0.00 0.00 30.24 24.05 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 7.13 4.28 0.25 3.69 0.04 -1.26 -5.04 135.00 144.09 2c8t s PRO 125 Ca 1.11 1.06 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2c8t s PRO 125 Cb -0.74 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2c8t s PRO 125 CO 0.43 0.13 0.00 1.28 0.04 0.00 0.00 177.00 178.88 2c8t n LEU 126 N -0.13 0.00 -0.12 -3.56 4.77 -1.26 -5.10 117.00 111.60 2c8t n LEU 126 Ca 0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.80 2c8t n LEU 126 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2c8t n LEU 126 CO 0.40 0.00 -1.16 -0.38 -1.33 0.00 0.00 177.39 174.93 2c8t n ILE 136 N 0.00 1.52 -0.33 -0.08 5.41 -1.26 -5.18 119.36 119.43 2c8t n ILE 136 Ca 0.00 -0.19 -0.03 0.00 1.00 0.00 0.00 62.75 63.53 2c8t n ILE 136 Cb 0.00 -2.05 0.09 0.00 -0.71 0.00 0.00 39.64 36.97 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 -0.99 1.13 -0.72 -1.39 0.00 -2.06 -1.83 119.26 113.40 2c8t h ALA 137 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2c8t h ALA 137 Cb 1.39 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2c8t h ALA 137 CO -0.27 0.53 0.46 0.82 0.00 0.00 0.00 179.25 180.78 2c8t h ILE 138 N 1.20 1.20 0.00 0.00 5.03 -2.06 -2.50 117.51 120.38 2c8t h ILE 138 Ca 0.33 -0.39 -0.08 0.00 -0.12 0.00 0.00 64.86 64.60 2c8t h ILE 138 Cb -0.14 0.17 -0.01 0.00 -3.03 0.00 0.00 36.82 33.81 2c8t h ILE 138 CO -0.07 0.20 -0.37 1.56 -0.68 0.00 0.00 178.15 178.78 2c8t h GLN 139 N 0.98 0.00 0.13 2.37 4.20 -1.87 -2.74 115.11 118.18 2c8t h GLN 139 Ca 0.26 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 2c8t h GLN 139 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2c8t h GLN 139 CO -0.05 0.37 -0.06 0.00 -0.67 0.00 0.00 178.83 178.41 2c8t h ALA 140 N 1.63 -0.18 -0.34 3.87 0.00 -0.90 -1.31 119.26 122.03 2c8t h ALA 140 Ca -0.00 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2c8t h ALA 140 Cb 0.69 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 2c8t h ALA 140 CO 0.05 -0.54 -0.26 0.93 0.00 0.00 0.00 179.25 179.42 2c8t h GLU 141 N -0.30 -0.22 -0.41 0.00 5.08 -1.36 0.39 114.58 117.76 2c8t h GLU 141 Ca -0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2c8t h GLU 141 Cb 0.24 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2c8t h GLU 141 CO 0.03 -0.15 0.27 1.96 -1.00 0.00 0.00 179.01 180.12 2c8t h GLN 142 N -0.23 0.54 -0.56 2.33 4.20 -1.40 -1.18 115.11 118.82 2c8t h GLN 142 Ca 0.17 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2c8t h GLN 142 Cb 0.49 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2c8t h GLN 142 CO -0.47 0.36 0.22 0.35 -0.67 0.00 0.00 178.83 178.63 2c8t h PHE 143 N 0.55 0.85 -0.37 2.96 3.57 -0.68 -1.12 116.94 122.69 2c8t h PHE 143 Ca 0.15 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.61 2c8t h PHE 143 Cb -0.05 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 2c8t h PHE 143 CO -0.05 0.69 0.20 0.00 -2.23 0.00 0.00 178.31 176.92 2c8t h ALA 144 N 1.07 0.46 -0.40 2.41 0.00 -0.53 0.22 119.26 122.49 2c8t h ALA 144 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2c8t h ALA 144 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2c8t h ALA 144 CO -0.02 -0.15 0.25 0.28 0.00 0.00 0.00 179.25 179.61 2c8t h VAL 145 N 0.41 1.07 0.00 0.00 2.07 -1.04 -1.80 116.25 116.96 2c8t h VAL 145 Ca 0.15 -0.17 -0.16 0.00 0.82 0.00 0.00 66.70 67.34 2c8t h VAL 145 Cb 0.04 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2c8t h VAL 145 CO -0.09 0.09 -0.74 -0.29 0.02 0.00 0.00 177.57 176.56 2c8t h ILE 146 N 0.51 1.37 0.19 4.57 2.10 -0.81 -2.59 117.51 122.84 2c8t h ILE 146 Ca 0.15 -2.70 -0.01 0.00 1.08 0.00 0.00 64.86 63.39 2c8t h ILE 146 Cb -0.02 2.52 0.00 0.00 -1.09 0.00 0.00 36.82 38.23 2c8t h ILE 146 CO -0.05 0.73 -0.09 0.50 -1.08 0.00 0.00 178.15 178.15 2c8t h LYS 147 N 0.00 -0.24 -0.76 2.19 3.64 -0.49 -0.74 116.57 120.17 2c8t h LYS 147 Ca -0.01 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 2c8t h LYS 147 Cb 1.46 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 33.26 2c8t h LYS 147 CO 0.10 -0.01 0.39 -0.22 -2.27 0.00 0.00 179.45 177.44 2c8t h LYS 148 N -0.46 0.62 -0.36 1.90 3.64 -1.37 -0.88 116.57 119.67 2c8t h LYS 148 Ca -0.03 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 2c8t h LYS 148 Cb 0.35 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2c8t h LYS 148 CO 0.04 0.41 -0.09 1.49 -2.27 0.00 0.00 179.45 179.03 2c8t h GLU 149 N 0.64 0.61 0.35 1.90 4.57 -1.36 -0.67 114.58 120.61 2c8t h GLU 149 Ca 0.38 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 2c8t h GLU 149 Cb 0.43 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2c8t h GLU 149 CO -0.29 0.70 -0.17 1.98 -1.18 0.00 0.00 179.01 180.05 2c8t h MET 150 N 0.56 -0.45 -0.66 1.92 4.05 -0.19 -2.24 114.93 117.92 2c8t h MET 150 Ca 0.10 0.03 0.14 0.00 -0.28 0.00 0.00 59.70 59.70 2c8t h MET 150 Cb 0.50 0.10 -0.11 0.00 -0.80 0.00 0.00 31.60 31.29 2c8t h MET 150 CO 0.03 -0.17 0.02 0.74 0.23 0.00 0.00 176.91 177.76 2c8t h PHE 151 N -0.70 -0.01 -0.13 1.39 0.05 -0.91 0.37 116.94 117.00 2c8t h PHE 151 Ca -0.05 0.05 0.04 0.00 3.82 0.00 0.00 57.97 61.83 2c8t h PHE 151 Cb 0.49 0.11 -0.07 0.00 2.00 0.00 0.00 35.95 38.48 2c8t h PHE 151 CO 0.00 -0.18 -0.39 -0.09 -0.18 0.00 0.00 178.31 177.48 2c8t h ARG 152 N 0.13 -0.45 -0.24 1.51 2.43 -1.07 0.37 114.38 117.06 2c8t h ARG 152 Ca 0.35 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.48 2c8t h ARG 152 Cb 0.59 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2c8t h ARG 152 CO -0.56 -0.30 -0.18 -0.07 -1.51 0.00 0.00 179.97 177.35 2c8t h LEU 153 N -0.47 0.42 -0.23 3.80 3.38 -0.61 -0.88 115.31 120.72 2c8t h LEU 153 Ca 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2c8t h LEU 153 Cb 0.61 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2c8t h LEU 153 CO -0.38 0.62 0.05 -1.13 0.09 0.00 0.00 178.44 177.68 2c8t h ASN 154 N 0.39 0.35 -0.47 -0.43 -0.00 0.35 0.27 115.58 116.04 2c8t h ASN 154 Ca 0.07 -0.24 0.09 0.00 -0.00 0.00 0.00 56.30 56.22 2c8t h ASN 154 Cb 0.55 -0.09 -0.08 0.00 -0.00 0.00 0.00 38.32 38.69 2c8t h ASN 154 CO 0.04 0.50 -0.05 0.00 -0.00 0.00 0.00 177.43 177.92 2c8t h ALA 155 N 0.86 0.40 -0.11 1.57 0.00 -0.81 -1.70 119.26 119.46 2c8t h ALA 155 Ca 0.07 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2c8t h ALA 155 Cb 0.30 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2c8t h ALA 155 CO 0.00 -0.41 0.06 1.49 0.00 0.00 0.00 179.25 180.39 2c8t h GLU 156 N 0.07 0.16 -0.42 0.00 4.81 -0.58 0.77 114.58 119.38 2c8t h GLU 156 Ca 0.23 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 2c8t h GLU 156 Cb 0.36 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2c8t h GLU 156 CO -0.43 0.20 0.29 0.74 -0.73 0.00 0.00 179.01 179.08 2c8t h PHE 157 N 0.08 0.24 0.00 0.92 0.05 -0.21 -3.16 116.94 114.86 2c8t h PHE 157 Ca 0.04 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.84 2c8t h PHE 157 Cb 0.09 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 37.96 2c8t h PHE 157 CO -0.04 0.13 -1.57 -2.37 -0.18 0.00 0.00 178.31 174.28 2c8t n THR 158 N -4.47 0.00 -0.96 -1.55 5.66 -0.66 -4.83 114.28 107.47 2c8t n THR 158 Ca 0.06 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 2c8t n THR 158 Cb 0.32 0.27 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 1.58 0.55 3.92 1.09 0.00 0.23 -4.31 105.19 108.25 2c8t n GLY 159 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.04 3.06 0.40 1.61 -1.52 -1.11 -5.04 119.66 117.01 2c8t s GLN 160 Ca 0.00 -1.04 -0.25 0.00 -1.95 0.00 0.00 55.36 52.13 2c8t s GLN 160 Cb 0.00 -2.70 -0.09 0.00 -0.22 0.00 0.00 33.01 30.00 2c8t s GLN 160 CO 0.00 0.22 1.10 -2.14 -0.25 0.00 0.00 175.29 174.22 2c8t s PRO 161 N -4.02 4.11 0.35 2.91 0.02 -1.26 -4.58 135.00 132.53 2c8t s PRO 161 Ca 0.39 1.66 0.11 0.00 0.02 0.00 0.00 61.00 63.18 2c8t s PRO 161 Cb -0.08 -2.61 0.88 0.00 0.02 0.00 0.00 34.50 32.71 2c8t s PRO 161 CO 0.28 -0.22 1.80 0.82 -0.33 0.00 0.00 177.00 179.35 2c8t h ILE 162 N 2.25 0.68 -0.89 2.83 2.04 -1.93 -0.39 117.51 122.10 2c8t h ILE 162 Ca -0.48 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.18 2c8t h ILE 162 Cb 1.22 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 2c8t h ILE 162 CO 0.62 0.11 0.59 -0.33 0.00 0.00 0.00 178.15 179.14 2c8t h GLU 163 N 0.62 1.15 0.06 2.37 3.07 -1.98 -1.00 114.58 118.87 2c8t h GLU 163 Ca 0.55 -0.07 -0.25 0.00 -0.50 0.00 0.00 59.36 59.09 2c8t h GLU 163 Cb 1.04 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 2c8t h GLU 163 CO -0.31 0.76 -1.08 -0.09 -1.40 0.00 0.00 179.01 176.90 2c8t h ARG 164 N 1.19 0.35 -0.82 2.33 2.43 -1.47 -1.89 114.38 116.49 2c8t h ARG 164 Ca 0.33 -0.45 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 2c8t h ARG 164 Cb -0.11 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2c8t h ARG 164 CO -0.08 1.15 0.41 0.82 -1.51 0.00 0.00 179.97 180.77 2c8t h ILE 165 N 0.16 1.25 0.30 1.20 1.08 -0.64 0.10 117.51 120.97 2c8t h ILE 165 Ca -0.11 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 2c8t h ILE 165 Cb 1.75 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 2c8t h ILE 165 CO 0.18 0.30 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.46 2c8t h GLU 166 N 1.16 -0.39 -0.73 2.37 5.08 -1.20 -2.45 114.58 118.42 2c8t h GLU 166 Ca 0.29 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.82 2c8t h GLU 166 Cb 0.09 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.33 2c8t h GLU 166 CO -0.04 -0.06 0.24 0.00 -1.00 0.00 0.00 179.01 178.15 2c8t h ALA 167 N -0.41 0.99 -0.27 3.43 0.00 -1.16 -0.99 119.26 120.86 2c8t h ALA 167 Ca -0.04 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2c8t h ALA 167 Cb 0.52 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2c8t h ALA 167 CO 0.07 -0.27 -0.36 -0.44 0.00 0.00 0.00 179.25 178.25 2c8t h ASP 168 N 0.35 0.63 -0.63 0.00 3.32 -0.84 -2.54 116.42 116.73 2c8t h ASP 168 Ca 0.41 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 2c8t h ASP 168 Cb 0.65 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2c8t h ASP 168 CO -0.45 0.94 0.03 0.28 -1.72 0.00 0.00 179.24 178.31 2c8t h SER 169 N 0.51 1.06 -0.77 6.45 0.02 -0.77 -1.93 113.55 118.12 2c8t h SER 169 Ca 0.05 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.65 2c8t h SER 169 Cb 0.85 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 2c8t h SER 169 CO 0.07 1.10 0.27 0.44 -1.14 0.00 0.00 176.83 177.57 2c8t h ASP 170 N 1.00 1.09 -0.15 3.07 3.32 -0.99 -2.29 116.42 121.47 2c8t h ASP 170 Ca 0.18 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2c8t h ASP 170 Cb 0.54 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2c8t h ASP 170 CO 0.03 0.99 0.00 -2.11 -1.72 0.00 0.00 179.24 176.43 2c8t n ARG 171 N -4.27 1.39 -2.96 3.56 1.85 -0.98 -4.89 116.66 110.36 2c8t n ARG 171 Ca 0.07 -0.60 -0.19 0.00 -1.00 0.00 0.00 57.85 56.13 2c8t n ARG 171 Cb 0.21 -1.19 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 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 -0.07 -4.27 -4.63 2.89 8.00 -0.91 -4.88 116.55 112.69 2c8t n ASP 172 Ca 0.08 -0.16 -0.48 0.00 0.71 0.00 0.00 54.79 54.94 2c8t n ASP 172 Cb 0.16 -3.54 -0.04 0.00 -0.02 0.00 0.00 41.12 37.67 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 -3.45 1.61 -4.24 -1.24 0.63 -0.76 -4.71 116.66 104.51 2c8t n ARG 173 Ca -0.08 0.58 -0.24 0.00 -0.92 0.00 0.00 57.85 57.18 2c8t n ARG 173 Cb 0.58 -2.23 -0.08 0.00 0.45 0.00 0.00 32.46 31.18 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 0.39 2.60 0.01 -0.14 1.48 -1.26 -1.49 118.94 120.52 2c8t s TRP 174 Ca 0.78 -0.47 -0.01 0.00 -1.06 0.00 0.00 56.10 55.34 2c8t s TRP 174 Cb -0.80 -1.66 -0.01 0.00 -1.16 0.00 0.00 33.47 29.84 2c8t s TRP 174 CO 0.46 0.37 0.01 -0.06 -4.06 0.00 0.00 176.95 173.66 2c8t s PHE 175 N -2.53 0.11 0.63 1.66 0.40 0.71 -4.98 117.98 113.98 2c8t s PHE 175 Ca 0.37 -0.22 -0.09 0.00 -0.60 0.00 0.00 56.93 56.39 2c8t s PHE 175 Cb 0.01 -0.08 -0.01 0.00 0.51 0.00 0.00 43.02 43.45 2c8t s PHE 175 CO 0.21 -0.11 1.00 0.99 0.70 0.00 0.00 175.22 178.01 2c8t s THR 176 N -0.73 3.99 0.25 0.64 2.01 -1.26 -1.42 115.64 119.12 2c8t s THR 176 Ca -0.08 0.45 -0.04 0.00 0.31 0.00 0.00 61.69 62.33 2c8t s THR 176 Cb -0.05 -3.62 0.22 0.00 0.01 0.00 0.00 72.50 69.06 2c8t s THR 176 CO -0.00 -0.75 1.80 0.00 -0.69 0.00 0.00 174.62 174.98 2c8t h ALA 177 N -0.37 1.19 0.12 7.40 0.00 -1.75 0.66 119.26 126.52 2c8t h ALA 177 Ca -0.45 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2c8t h ALA 177 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2c8t h ALA 177 CO 0.62 0.07 -0.06 0.00 0.00 0.00 0.00 179.25 179.88 2c8t h ALA 178 N 1.47 -0.16 -0.34 0.00 0.00 -1.91 -1.68 119.26 116.64 2c8t h ALA 178 Ca 0.41 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2c8t h ALA 178 Cb 0.41 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2c8t h ALA 178 CO -0.27 -0.55 0.04 0.93 0.00 0.00 0.00 179.25 179.40 2c8t h GLU 179 N -0.25 0.51 -0.36 0.00 5.08 -1.67 -2.39 114.58 115.50 2c8t h GLU 179 Ca -0.02 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 2c8t h GLU 179 Cb 0.20 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2c8t h GLU 179 CO 0.03 0.51 -0.29 0.00 -1.00 0.00 0.00 179.01 178.26 2c8t h ALA 180 N 1.55 0.81 -0.65 3.43 0.00 0.42 -2.01 119.26 122.80 2c8t h ALA 180 Ca 0.11 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2c8t h ALA 180 Cb 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2c8t h ALA 180 CO 0.00 0.64 0.19 1.25 0.00 0.00 0.00 179.25 181.33 2c8t h LEU 181 N 0.66 0.95 -0.39 0.00 5.85 -0.82 -1.81 115.31 119.74 2c8t h LEU 181 Ca 0.08 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2c8t h LEU 181 Cb 0.81 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2c8t h LEU 181 CO 0.07 0.90 0.07 -0.33 -0.34 0.00 0.00 178.44 178.80 2c8t h GLU 182 N 0.97 0.64 0.00 1.25 5.08 -1.31 -3.14 114.58 118.08 2c8t h GLU 182 Ca 0.21 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2c8t h GLU 182 Cb 0.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2c8t h GLU 182 CO -0.00 0.69 -0.35 -0.92 -1.00 0.00 0.00 179.01 177.43 2c8t h TYR 183 N 0.49 0.00 0.00 4.33 3.20 -1.29 -3.47 116.97 120.23 2c8t h TYR 183 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2c8t h TYR 183 Cb 0.36 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2c8t h TYR 183 CO 0.02 0.35 0.00 0.41 -1.64 0.00 0.00 178.16 177.31 2c8t n GLY 184 N 0.22 1.61 0.18 1.82 0.00 -0.73 -4.71 105.19 103.57 2c8t n GLY 184 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.62 1.61 -1.00 -1.67 -3.38 116.94 109.89 2c8t h PHE 185 Ca 0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 2c8t h PHE 185 Cb 0.00 0.00 -0.20 0.00 3.61 0.00 0.00 35.95 39.36 2c8t h PHE 185 CO 0.00 0.00 -0.09 0.08 -1.61 0.00 0.00 178.31 176.69 2c8t s VAL 186 N -3.24 0.03 -0.14 -0.55 1.01 -1.26 -3.90 120.40 112.36 2c8t s VAL 186 Ca 0.07 -0.26 0.12 0.00 0.00 0.00 0.00 61.98 61.91 2c8t s VAL 186 Cb 0.08 -0.76 -0.24 0.00 0.00 0.00 0.00 36.38 35.47 2c8t s VAL 186 CO 0.61 -0.15 0.30 0.47 0.00 0.00 0.00 175.10 176.33 2c8t n ASP 187 N 1.26 0.72 -3.99 3.32 8.00 0.84 -4.63 116.55 122.07 2c8t n ASP 187 Ca -0.20 0.17 -0.09 0.00 0.71 0.00 0.00 54.79 55.38 2c8t n ASP 187 Cb 0.56 0.28 -0.10 0.00 -0.02 0.00 0.00 41.12 41.84 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 -2.54 0.29 -0.27 1.24 3.76 -0.44 -5.00 115.29 112.32 2c8t s HIS 188 Ca -0.11 -0.61 -0.07 0.00 -0.15 0.00 0.00 55.06 54.11 2c8t s HIS 188 Cb 0.07 -0.21 -0.02 0.00 1.11 0.00 0.00 32.58 33.53 2c8t s HIS 188 CO 0.80 -0.26 0.08 0.42 -0.85 0.00 0.00 174.74 174.93 2c8t s ILE 189 N -2.15 4.23 -0.01 0.60 1.01 -1.26 -1.11 121.20 122.51 2c8t s ILE 189 Ca -0.09 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 2c8t s ILE 189 Cb -0.05 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 2c8t s ILE 189 CO -0.03 0.24 0.35 0.27 0.00 0.00 0.00 174.94 175.77 2c8t s ILE 190 N 1.58 5.15 0.00 2.92 -4.36 -0.71 -4.94 121.20 120.84 2c8t s ILE 190 Ca 0.05 0.62 0.00 0.00 -0.26 0.00 0.00 60.65 61.06 2c8t s ILE 190 Cb -0.16 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 39.92 2c8t s ILE 190 CO 0.03 0.53 0.00 0.41 0.24 0.00 0.00 174.94 176.16 2c8t n THR 191 N 1.68 0.00 -3.06 8.37 -1.04 -1.26 -3.94 114.28 115.03 2c8t n THR 191 Ca -0.14 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.54 2c8t n THR 191 Cb 0.53 -0.92 -0.06 0.00 -1.82 0.00 0.00 70.33 68.05 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 4.08 0.80 -2.82 0.52 -1.26 -5.03 118.95 115.25 2c8t s ARG 192 Ca 0.00 0.79 -0.04 0.00 -0.52 0.00 0.00 55.73 55.96 2c8t s ARG 192 Cb 0.00 -2.43 0.16 0.00 0.52 0.00 0.00 34.95 33.21 2c8t s ARG 192 CO 0.00 0.14 1.10 0.00 0.02 0.00 0.00 175.30 176.56 2c8t s ALA 193 N -1.98 3.39 0.00 2.13 0.00 -1.26 -5.21 121.76 118.84 2c8t s ALA 193 Ca 0.55 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2c8t s ALA 193 Cb -0.11 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.90 2c8t s ALA 193 CO 0.17 -1.81 0.00 0.72 0.00 0.00 0.00 175.76 174.84