#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2y s ASN 2 N 0.00 0.95 -0.61 6.12 4.22 -1.26 -5.10 114.94 119.27 1c2y s ASN 2 Ca 0.00 -0.91 -0.26 0.00 -2.14 0.00 0.00 52.86 49.55 1c2y s ASN 2 Cb 0.00 0.78 -0.06 0.00 1.28 0.00 0.00 41.25 43.26 1c2y s ASN 2 CO 0.00 -0.33 2.16 -1.61 -2.04 0.00 0.00 177.10 175.28 1c2y s GLU 3 N 2.09 2.28 -0.87 3.55 2.02 -1.26 -4.89 118.70 121.62 1c2y s GLU 3 Ca 0.12 0.84 -0.20 0.00 0.02 0.00 0.00 54.97 55.75 1c2y s GLU 3 Cb -0.13 -4.58 0.10 0.00 0.10 0.00 0.00 34.13 29.62 1c2y s GLU 3 CO -0.21 -3.21 1.13 -0.51 0.02 0.00 0.00 175.26 172.48 1c2y s LEU 4 N 11.11 4.67 0.18 1.80 1.43 -1.26 -4.99 118.68 131.63 1c2y s LEU 4 Ca 0.83 -1.69 0.08 0.00 -1.03 0.00 0.00 54.13 52.31 1c2y s LEU 4 Cb -0.14 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 1c2y s LEU 4 CO 0.19 -1.22 -0.02 -0.70 0.23 0.00 0.00 176.35 174.83 1c2y s GLU 5 N 3.35 2.32 1.05 1.70 2.12 -1.26 -5.05 118.70 122.92 1c2y s GLU 5 Ca 0.32 -1.16 -0.17 0.00 0.36 0.00 0.00 54.97 54.32 1c2y s GLU 5 Cb -0.07 -2.30 0.22 0.00 0.26 0.00 0.00 34.13 32.24 1c2y s GLU 5 CO -0.05 0.44 1.20 0.20 -0.54 0.00 0.00 175.26 176.52 1c2y s GLY 6 N -2.96 1.66 -0.11 -1.50 0.00 -1.26 -4.78 107.32 98.37 1c2y s GLY 6 Ca 0.27 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 44.05 1c2y s GLY 6 CO 0.18 -0.19 -0.19 -0.19 0.00 0.00 0.00 173.10 172.71 1c2y s TYR 7 N -3.42 2.26 -0.42 1.90 2.02 -1.26 -4.89 117.35 113.54 1c2y s TYR 7 Ca 0.71 -1.03 0.23 0.00 -0.37 0.00 0.00 57.07 56.61 1c2y s TYR 7 Cb -0.08 -1.56 0.16 0.00 -0.40 0.00 0.00 41.96 40.07 1c2y s TYR 7 CO 0.54 -0.48 1.19 -0.24 -1.57 0.00 0.00 175.55 174.99 1c2y h VAL 8 N 5.86 0.00 0.06 0.71 3.04 -1.93 -3.37 116.25 120.63 1c2y h VAL 8 Ca -0.28 -0.79 -0.25 0.00 -1.01 0.00 0.00 66.70 64.37 1c2y h VAL 8 Cb 1.20 1.35 0.01 0.00 -2.01 0.00 0.00 31.29 31.83 1c2y h VAL 8 CO 0.50 0.00 -1.07 0.74 -1.01 0.00 0.00 177.57 176.73 1c2y h THR 9 N 0.00 1.43 -0.45 3.17 2.02 -1.95 -3.35 112.91 113.79 1c2y h THR 9 Ca 0.00 -2.67 -0.30 0.00 0.77 0.00 0.00 66.41 64.22 1c2y h THR 9 Cb 0.89 2.63 -0.11 0.00 -1.74 0.00 0.00 68.15 69.83 1c2y h THR 9 CO 0.00 0.79 0.05 2.29 0.37 0.00 0.00 175.52 179.02 1c2y n LYS 10 N -3.67 1.99 0.00 6.66 2.85 -1.26 -4.73 118.16 119.99 1c2y n LYS 10 Ca -0.08 -1.44 0.00 0.00 -1.05 0.00 0.00 58.31 55.74 1c2y n LYS 10 Cb 0.91 -1.87 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 1c2y n LYS 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c2y n ALA 11 N 1.48 0.00 0.00 0.58 0.00 -1.26 -4.41 120.51 116.90 1c2y n ALA 11 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1c2y n ALA 11 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1c2y n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c2y n GLN 12 N -0.36 0.00 0.31 0.00 0.00 -1.25 -0.01 117.38 116.08 1c2y n GLN 12 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 57.00 57.20 1c2y n GLN 12 Cb 0.00 0.00 0.98 0.00 0.00 0.00 0.00 30.24 31.22 1c2y n GLN 12 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1c2y h SER 13 N 0.00 0.00 -3.65 2.61 4.64 -1.88 -3.13 113.55 112.15 1c2y h SER 13 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1c2y h SER 13 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.14 1c2y h SER 13 CO 0.00 0.01 0.17 -0.36 -0.87 0.00 0.00 176.83 175.78 1c2y s PHE 14 N -3.99 3.30 -0.14 4.77 0.40 0.99 -5.06 117.98 118.26 1c2y s PHE 14 Ca -0.03 0.67 0.02 0.00 -0.60 0.00 0.00 56.93 57.00 1c2y s PHE 14 Cb 0.12 -2.68 0.01 0.00 0.51 0.00 0.00 43.02 40.98 1c2y s PHE 14 CO 0.48 -0.75 -0.20 0.50 0.70 0.00 0.00 175.22 175.95 1c2y s ARG 15 N -4.96 2.81 0.28 0.44 6.06 -1.26 -4.60 118.95 117.72 1c2y s ARG 15 Ca 0.53 -0.77 0.06 0.00 -2.50 0.00 0.00 55.73 53.05 1c2y s ARG 15 Cb -0.10 -2.30 -0.06 0.00 0.06 0.00 0.00 34.95 32.54 1c2y s ARG 15 CO 0.45 -0.05 -0.04 -0.06 -2.50 0.00 0.00 175.30 173.11 1c2y s PHE 16 N 0.91 1.93 -0.05 5.12 0.08 -1.26 -0.00 117.98 124.71 1c2y s PHE 16 Ca -0.06 -0.75 -0.04 0.00 0.12 0.00 0.00 56.93 56.20 1c2y s PHE 16 Cb -0.15 -1.14 0.02 0.00 -0.57 0.00 0.00 43.02 41.18 1c2y s PHE 16 CO -0.03 0.22 0.13 0.00 -0.10 0.00 0.00 175.22 175.44 1c2y s ALA 17 N -3.08 -0.29 -0.06 5.36 0.00 -1.04 -2.87 121.76 119.78 1c2y s ALA 17 Ca 0.30 0.46 -0.00 0.00 0.00 0.00 0.00 51.96 52.73 1c2y s ALA 17 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1c2y s ALA 17 CO 0.12 -0.09 -0.02 0.42 0.00 0.00 0.00 175.76 176.19 1c2y s ILE 18 N 0.44 4.08 -0.11 0.00 1.09 0.81 -0.38 121.20 127.14 1c2y s ILE 18 Ca -0.03 -0.42 0.00 0.00 -1.10 0.00 0.00 60.65 59.10 1c2y s ILE 18 Cb -0.04 -2.73 0.02 0.00 -1.06 0.00 0.00 42.46 38.65 1c2y s ILE 18 CO -0.02 0.54 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.58 1c2y s VAL 19 N -0.92 1.07 0.02 2.92 1.01 0.27 0.27 120.40 125.04 1c2y s VAL 19 Ca 0.15 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1c2y s VAL 19 Cb -0.11 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1c2y s VAL 19 CO 0.04 0.37 -0.17 0.68 0.00 0.00 0.00 175.10 176.02 1c2y s VAL 20 N 1.53 1.39 0.04 2.92 -7.23 0.23 -0.08 120.40 119.20 1c2y s VAL 20 Ca 0.02 -0.98 -0.19 0.00 -1.81 0.00 0.00 61.98 59.02 1c2y s VAL 20 Cb -0.13 -1.21 -0.06 0.00 0.56 0.00 0.00 36.38 35.54 1c2y s VAL 20 CO -0.07 0.20 0.54 0.00 -0.31 0.00 0.00 175.10 175.47 1c2y s ALA 21 N -0.68 3.59 0.25 1.32 0.00 -0.86 -0.59 121.76 124.79 1c2y s ALA 21 Ca 0.05 -0.02 0.16 0.00 0.00 0.00 0.00 51.96 52.15 1c2y s ALA 21 Cb -0.08 -2.60 0.65 0.00 0.00 0.00 0.00 23.12 21.09 1c2y s ALA 21 CO 0.01 0.36 1.74 -0.09 0.00 0.00 0.00 175.76 177.78 1c2y h ARG 22 N 4.82 0.00 -6.57 0.00 2.43 0.03 -3.44 114.38 111.65 1c2y h ARG 22 Ca -0.49 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.09 1c2y h ARG 22 Cb 1.21 0.00 0.08 0.00 -0.42 0.00 0.00 29.97 30.84 1c2y h ARG 22 CO 0.64 0.42 0.60 0.34 -1.51 0.00 0.00 179.97 180.46 1c2y n PHE 23 N -3.72 2.11 -2.79 2.20 -0.00 -0.50 -0.81 117.46 113.95 1c2y n PHE 23 Ca -0.01 0.44 -0.20 0.00 -0.00 0.00 0.00 57.45 57.68 1c2y n PHE 23 Cb 0.50 -2.45 0.02 0.00 -0.00 0.00 0.00 39.48 37.55 1c2y n PHE 23 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1c2y n ASN 24 N 2.18 -5.71 -0.33 -2.13 3.02 -1.26 -4.55 115.26 106.48 1c2y n ASN 24 Ca 0.12 -0.20 0.23 0.00 -0.03 0.00 0.00 54.58 54.71 1c2y n ASN 24 Cb 0.31 -4.59 0.45 0.00 -0.61 0.00 0.00 39.78 35.33 1c2y n ASN 24 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1c2y h GLU 25 N -0.93 0.05 -1.33 3.52 4.81 -1.26 0.34 114.58 119.78 1c2y h GLU 25 Ca -0.48 -0.00 0.39 0.00 -0.13 0.00 0.00 59.36 59.14 1c2y h GLU 25 Cb 1.34 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.62 1c2y h GLU 25 CO 0.53 0.04 0.91 0.35 -0.73 0.00 0.00 179.01 180.11 1c2y h PHE 26 N 0.06 0.30 0.00 0.92 3.04 -1.89 0.18 116.94 119.55 1c2y h PHE 26 Ca 0.73 0.01 -0.36 0.00 3.98 0.00 0.00 57.97 62.33 1c2y h PHE 26 Cb 1.74 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 40.12 1c2y h PHE 26 CO -0.20 -0.05 -2.18 0.28 -2.02 0.00 0.00 178.31 174.14 1c2y n VAL 27 N -4.39 1.49 -0.23 1.41 0.31 0.11 -4.40 118.33 112.64 1c2y n VAL 27 Ca 0.32 -0.26 0.03 0.00 -0.01 0.00 0.00 64.34 64.42 1c2y n VAL 27 Cb 1.36 -1.97 0.15 0.00 -0.91 0.00 0.00 33.84 32.46 1c2y n VAL 27 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1c2y h THR 28 N -0.97 0.55 -0.30 2.52 1.35 -0.59 0.19 112.91 115.66 1c2y h THR 28 Ca -0.54 -0.08 0.06 0.00 -0.55 0.00 0.00 66.41 65.30 1c2y h THR 28 Cb 1.47 0.28 -0.08 0.00 -1.73 0.00 0.00 68.15 68.09 1c2y h THR 28 CO -0.33 0.04 -0.37 -0.09 -0.25 0.00 0.00 175.52 174.53 1c2y h ARG 29 N 0.25 -0.33 0.05 4.72 9.65 -0.91 0.36 114.38 128.16 1c2y h ARG 29 Ca 0.37 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.30 1c2y h ARG 29 Cb 0.60 0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 29.21 1c2y h ARG 29 CO -0.48 -0.22 -0.33 0.00 2.80 0.00 0.00 179.97 181.73 1c2y h ARG 30 N -0.34 -0.50 -0.68 0.20 2.47 -1.37 0.21 114.38 114.37 1c2y h ARG 30 Ca 0.13 0.03 0.12 0.00 -1.26 0.00 0.00 59.98 59.00 1c2y h ARG 30 Cb 0.57 0.11 -0.13 0.00 -1.65 0.00 0.00 29.97 28.88 1c2y h ARG 30 CO -0.49 -0.33 -0.33 1.25 0.56 0.00 0.00 179.97 180.63 1c2y h LEU 31 N -0.52 -1.15 0.46 3.04 5.85 0.91 0.21 115.31 124.11 1c2y h LEU 31 Ca 0.05 0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 1c2y h LEU 31 Cb 0.58 0.59 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1c2y h LEU 31 CO -0.24 -0.30 -0.22 -0.03 -0.34 0.00 0.00 178.44 177.31 1c2y h MET 32 N -0.12 -0.59 -1.01 1.25 4.05 0.38 -1.43 114.93 117.46 1c2y h MET 32 Ca 0.27 0.04 0.27 0.00 -0.28 0.00 0.00 59.70 60.00 1c2y h MET 32 Cb 0.56 0.13 -0.13 0.00 -0.80 0.00 0.00 31.60 31.36 1c2y h MET 32 CO -0.75 -0.38 0.59 0.93 0.23 0.00 0.00 176.91 177.53 1c2y h GLU 33 N -0.64 0.47 0.42 0.39 5.08 0.32 0.15 114.58 120.76 1c2y h GLU 33 Ca -0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1c2y h GLU 33 Cb 0.49 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1c2y h GLU 33 CO 0.10 0.31 -0.20 0.78 -1.00 0.00 0.00 179.01 179.00 1c2y h GLY 34 N 0.49 -0.59 0.36 -3.84 0.00 0.37 0.11 103.07 99.97 1c2y h GLY 34 Ca 0.68 0.22 0.06 0.00 0.00 0.00 0.00 47.33 48.29 1c2y h GLY 34 CO -0.52 -0.21 -0.07 0.00 0.00 0.00 0.00 176.54 175.74 1c2y h ALA 35 N -0.14 0.23 0.00 3.60 0.00 0.08 -0.58 119.26 122.45 1c2y h ALA 35 Ca -0.06 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1c2y h ALA 35 Cb 0.49 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1c2y h ALA 35 CO 0.09 -0.45 -0.29 1.25 0.00 0.00 0.00 179.25 179.85 1c2y h LEU 36 N 0.01 -0.89 -0.67 0.00 5.85 -0.65 -1.23 115.31 117.74 1c2y h LEU 36 Ca 0.16 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.08 1c2y h LEU 36 Cb 0.24 0.34 -0.12 0.00 0.37 0.00 0.00 40.66 41.48 1c2y h LEU 36 CO -0.33 -0.28 -0.41 -0.78 -0.34 0.00 0.00 178.44 176.30 1c2y h ASP 37 N -0.36 -1.44 -0.86 1.25 1.82 -0.57 0.26 116.42 116.52 1c2y h ASP 37 Ca 0.01 0.26 0.21 0.00 -0.39 0.00 0.00 57.03 57.11 1c2y h ASP 37 Cb 0.39 0.68 -0.12 0.00 0.68 0.00 0.00 39.33 40.96 1c2y h ASP 37 CO -0.19 -0.32 0.34 0.74 -1.61 0.00 0.00 179.24 178.20 1c2y h THR 38 N -0.16 0.47 0.35 2.25 2.02 -0.50 0.30 112.91 117.65 1c2y h THR 38 Ca 0.22 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1c2y h THR 38 Cb 0.56 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1c2y h THR 38 CO -0.75 0.07 -0.44 -0.26 0.37 0.00 0.00 175.52 174.51 1c2y h PHE 39 N 0.37 -1.21 -0.33 3.16 0.04 0.69 0.11 116.94 119.77 1c2y h PHE 39 Ca 0.53 0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.36 1c2y h PHE 39 Cb 0.99 0.48 -0.05 0.00 2.20 0.00 0.00 35.95 39.58 1c2y h PHE 39 CO -0.17 -0.58 0.04 0.87 -0.60 0.00 0.00 178.31 177.87 1c2y h LYS 40 N -0.83 0.15 -1.00 1.51 1.79 -0.76 0.14 116.57 117.56 1c2y h LYS 40 Ca -0.03 -0.01 0.26 0.00 -2.18 0.00 0.00 60.65 58.69 1c2y h LYS 40 Cb 0.76 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.31 1c2y h LYS 40 CO -0.11 0.10 0.67 -0.22 -1.08 0.00 0.00 179.45 178.81 1c2y h LYS 41 N 0.15 0.25 -1.30 3.15 3.64 0.08 0.69 116.57 123.23 1c2y h LYS 41 Ca 0.15 -0.02 -0.61 0.00 -1.27 0.00 0.00 60.65 58.91 1c2y h LYS 41 Cb 0.18 -0.06 -0.25 0.00 -0.41 0.00 0.00 32.23 31.70 1c2y h LYS 41 CO -0.22 0.17 0.79 0.66 -2.27 0.00 0.00 179.45 178.58 1c2y n TYR 42 N -4.45 2.78 -0.31 1.91 4.02 0.45 -4.88 117.16 116.67 1c2y n TYR 42 Ca 0.22 -2.67 0.00 0.00 -0.01 0.00 0.00 57.90 55.45 1c2y n TYR 42 Cb 0.90 -1.32 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 1c2y n TYR 42 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1c2y n SER 43 N -0.52 -1.03 -4.76 7.72 3.41 0.24 -4.17 113.62 114.51 1c2y n SER 43 Ca 0.54 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.75 1c2y n SER 43 Cb 0.57 -1.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.09 1c2y n SER 43 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1c2y s VAL 44 N -0.45 2.96 -0.26 -3.33 0.11 -1.04 -3.78 120.40 114.61 1c2y s VAL 44 Ca 0.00 0.96 -0.03 0.00 -2.93 0.00 0.00 61.98 59.98 1c2y s VAL 44 Cb 0.00 -3.61 0.15 0.00 -1.53 0.00 0.00 36.38 31.39 1c2y s VAL 44 CO 0.00 0.22 0.46 0.21 -3.33 0.00 0.00 175.10 172.67 1c2y s ASN 45 N -0.53 -0.40 0.00 3.54 3.84 -1.18 -4.39 114.94 115.83 1c2y s ASN 45 Ca 0.48 0.56 0.00 0.00 0.21 0.00 0.00 52.86 54.11 1c2y s ASN 45 Cb -0.37 1.53 0.00 0.00 -0.55 0.00 0.00 41.25 41.86 1c2y s ASN 45 CO 0.48 -0.28 0.71 1.21 -2.79 0.00 0.00 177.10 176.43 1c2y n GLU 46 N 5.39 0.00 -4.09 0.43 2.13 -1.26 -4.82 120.64 118.42 1c2y n GLU 46 Ca -0.03 -0.66 -0.28 0.00 0.66 0.00 0.00 57.16 56.85 1c2y n GLU 46 Cb 0.50 0.44 -0.08 0.00 0.27 0.00 0.00 31.44 32.57 1c2y n GLU 46 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1c2y n ASP 47 N 0.00 0.64 0.00 4.31 2.03 -1.26 -4.71 116.55 117.56 1c2y n ASP 47 Ca -0.19 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 54.01 1c2y n ASP 47 Cb 0.56 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 1c2y n ASP 47 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1c2y n ILE 48 N -4.15 0.00 -2.71 5.18 -0.00 -1.26 -4.88 119.36 111.53 1c2y n ILE 48 Ca -0.28 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.05 1c2y n ILE 48 Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.21 1c2y n ILE 48 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 1c2y s ASP 49 N 0.00 7.38 -0.23 7.28 1.11 -1.14 -4.90 116.67 126.18 1c2y s ASP 49 Ca 0.00 1.67 -0.02 0.00 0.18 0.00 0.00 52.55 54.38 1c2y s ASP 49 Cb 0.00 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.43 1c2y s ASP 49 CO 0.00 -0.24 -0.07 0.68 1.18 0.00 0.00 175.17 176.72 1c2y s VAL 50 N 0.89 3.00 -0.24 -1.27 -7.23 -1.26 -0.13 120.40 114.17 1c2y s VAL 50 Ca 0.51 -0.78 -0.07 0.00 -1.81 0.00 0.00 61.98 59.83 1c2y s VAL 50 Cb -0.21 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1c2y s VAL 50 CO 0.28 0.33 0.06 -0.69 -0.31 0.00 0.00 175.10 174.77 1c2y s VAL 51 N 1.39 4.30 -0.14 1.32 1.01 0.14 -4.97 120.40 123.45 1c2y s VAL 51 Ca 0.03 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1c2y s VAL 51 Cb -0.15 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1c2y s VAL 51 CO -0.05 0.36 0.48 0.26 0.00 0.00 0.00 175.10 176.16 1c2y s TRP 52 N 1.42 3.47 0.07 5.22 0.52 -1.26 -0.60 118.94 127.78 1c2y s TRP 52 Ca 0.05 0.85 0.07 0.00 0.02 0.00 0.00 56.10 57.10 1c2y s TRP 52 Cb -0.15 -2.58 -0.03 0.00 -1.15 0.00 0.00 33.47 29.56 1c2y s TRP 52 CO 0.03 0.10 -0.19 0.14 0.02 0.00 0.00 176.95 177.05 1c2y s VAL 53 N 0.88 1.52 0.09 4.03 -7.23 0.24 -4.95 120.40 114.98 1c2y s VAL 53 Ca 0.25 -1.30 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 1c2y s VAL 53 Cb -0.15 -1.37 -0.12 0.00 0.56 0.00 0.00 36.38 35.30 1c2y s VAL 53 CO 0.10 0.02 1.68 1.55 -0.31 0.00 0.00 175.10 178.15 1c2y h PRO 54 N 4.53 0.15 -5.34 4.82 0.13 -1.94 0.13 132.00 134.47 1c2y h PRO 54 Ca -0.43 -0.02 -0.39 0.00 -0.87 0.00 0.00 66.00 64.29 1c2y h PRO 54 Cb 1.17 -0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.12 1c2y h PRO 54 CO 0.42 0.18 -0.73 0.20 -0.23 0.00 0.00 178.00 177.84 1c2y s GLY 55 N -2.46 1.20 0.51 1.56 0.00 -1.26 -1.40 107.32 105.46 1c2y s GLY 55 Ca -0.13 -1.50 0.28 0.00 0.00 0.00 0.00 44.72 43.37 1c2y s GLY 55 CO 0.68 -1.58 1.90 0.00 0.00 0.00 0.00 173.10 174.10 1c2y h ALA 56 N 2.91 2.66 -0.52 3.20 0.00 -1.93 0.11 119.26 125.69 1c2y h ALA 56 Ca -0.38 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.59 1c2y h ALA 56 Cb 1.20 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1c2y h ALA 56 CO 0.59 -0.90 0.16 -0.92 0.00 0.00 0.00 179.25 178.18 1c2y h TYR 57 N 0.08 0.27 -0.81 0.00 5.03 -1.94 -2.09 116.97 117.50 1c2y h TYR 57 Ca 0.40 0.03 0.15 0.00 2.58 0.00 0.00 58.73 61.89 1c2y h TYR 57 Cb 1.47 -0.04 -0.06 0.00 1.55 0.00 0.00 36.73 39.65 1c2y h TYR 57 CO -0.00 0.06 0.53 0.93 -1.32 0.00 0.00 178.16 178.36 1c2y h GLU 58 N 0.31 0.51 -0.87 1.82 3.07 -1.18 -3.00 114.58 115.24 1c2y h GLU 58 Ca 0.26 -0.03 0.16 0.00 -0.50 0.00 0.00 59.36 59.25 1c2y h GLU 58 Cb 0.31 -0.12 -0.16 0.00 -0.84 0.00 0.00 28.75 27.95 1c2y h GLU 58 CO -0.29 0.34 -0.26 1.28 -1.40 0.00 0.00 179.01 178.68 1c2y n LEU 59 N -4.51 -0.40 0.00 1.33 4.77 -0.79 -2.42 117.00 114.98 1c2y n LEU 59 Ca 0.16 1.51 0.00 0.00 -0.03 0.00 0.00 56.01 57.65 1c2y n LEU 59 Cb 0.51 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1c2y n LEU 59 CO 0.31 -1.41 0.34 0.61 -1.33 0.00 0.00 177.39 175.91 1c2y n GLY 60 N -1.50 -3.45 0.24 -0.72 0.00 -1.13 -0.35 105.19 98.27 1c2y n GLY 60 Ca 0.12 0.71 -0.03 0.00 0.00 0.00 0.00 46.02 46.82 1c2y n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1c2y h VAL 61 N 0.00 0.98 -0.36 1.61 -1.51 -1.76 0.83 116.25 116.04 1c2y h VAL 61 Ca 0.00 -0.22 0.07 0.00 -1.23 0.00 0.00 66.70 65.32 1c2y h VAL 61 Cb 0.00 0.29 -0.06 0.00 -2.13 0.00 0.00 31.29 29.39 1c2y h VAL 61 CO 0.00 0.11 -0.04 0.74 -1.23 0.00 0.00 177.57 177.16 1c2y h THR 62 N 0.63 0.69 0.40 7.19 2.02 -1.08 0.25 112.91 123.01 1c2y h THR 62 Ca 0.27 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 1c2y h THR 62 Cb 0.15 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1c2y h THR 62 CO -0.16 0.01 -0.19 0.00 0.37 0.00 0.00 175.52 175.54 1c2y h ALA 63 N 1.34 -0.54 -0.66 6.16 0.00 -0.19 -1.78 119.26 123.59 1c2y h ALA 63 Ca 0.18 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1c2y h ALA 63 Cb 0.26 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1c2y h ALA 63 CO -0.33 -0.78 -0.33 0.94 0.00 0.00 0.00 179.25 178.75 1c2y n GLN 64 N -5.30 -0.23 0.00 0.00 -0.06 0.24 0.40 117.38 112.43 1c2y n GLN 64 Ca -0.11 1.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.90 1c2y n GLN 64 Cb 0.25 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 1c2y n GLN 64 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1c2y n ALA 65 N -3.57 -0.37 -0.33 1.69 0.00 0.74 -1.13 120.51 117.55 1c2y n ALA 65 Ca 0.04 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.75 1c2y n ALA 65 Cb 0.22 0.08 0.51 0.00 0.00 0.00 0.00 19.45 20.26 1c2y n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1c2y h LEU 66 N 0.00 0.23 0.25 0.00 3.38 -0.08 0.35 115.31 119.44 1c2y h LEU 66 Ca 0.00 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1c2y h LEU 66 Cb 0.00 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1c2y h LEU 66 CO 0.00 -0.35 -0.12 1.23 0.09 0.00 0.00 178.44 179.29 1c2y h GLY 67 N 0.08 -0.34 2.00 0.83 0.00 0.26 -2.75 103.07 103.14 1c2y h GLY 67 Ca 0.78 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 48.23 1c2y h GLY 67 CO -0.75 -0.13 -0.01 0.50 0.00 0.00 0.00 176.54 176.15 1c2y h LYS 68 N -0.54 0.00 0.00 4.80 1.57 0.12 -1.78 116.57 120.74 1c2y h LYS 68 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1c2y h LYS 68 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1c2y h LYS 68 CO 0.06 0.01 0.00 -1.13 -0.57 0.00 0.00 179.45 177.82 1c2y n SER 69 N -3.17 0.00 0.00 0.86 3.41 -0.27 -4.79 113.62 109.66 1c2y n SER 69 Ca -0.02 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1c2y n SER 69 Cb 0.17 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1c2y n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c2y n GLY 70 N -0.50 0.00 0.10 5.00 0.00 -0.67 -4.75 105.19 104.37 1c2y n GLY 70 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1c2y n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c2y h LYS 71 N 0.00 0.08 -6.21 1.61 1.57 -1.81 -3.46 116.57 108.35 1c2y h LYS 71 Ca 0.00 -0.10 -0.54 0.00 -1.87 0.00 0.00 60.65 58.14 1c2y h LYS 71 Cb 0.48 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 1c2y h LYS 71 CO 0.00 0.90 -0.61 0.71 -0.57 0.00 0.00 179.45 179.89 1c2y s TYR 72 N -3.10 2.86 -0.13 -1.35 1.51 -1.26 -4.81 117.35 111.07 1c2y s TYR 72 Ca -0.01 -0.17 0.20 0.00 -1.01 0.00 0.00 57.07 56.07 1c2y s TYR 72 Cb 0.11 -1.29 -0.20 0.00 -0.11 0.00 0.00 41.96 40.47 1c2y s TYR 72 CO 0.81 0.58 0.62 0.72 -1.11 0.00 0.00 175.55 177.17 1c2y n HIS 73 N -0.90 0.50 -3.63 2.71 8.25 1.00 -4.94 115.22 118.21 1c2y n HIS 73 Ca -0.07 0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 1c2y n HIS 73 Cb 0.58 -0.87 -0.07 0.00 1.12 0.00 0.00 29.99 30.75 1c2y n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1c2y s ALA 74 N -3.10 -1.82 -0.05 -1.41 0.00 -1.25 -4.22 121.76 109.91 1c2y s ALA 74 Ca -0.05 2.03 0.06 0.00 0.00 0.00 0.00 51.96 54.00 1c2y s ALA 74 Cb 0.10 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 1c2y s ALA 74 CO 0.84 -0.33 -0.23 0.96 0.00 0.00 0.00 175.76 177.00 1c2y s ILE 75 N 0.43 1.92 -0.15 0.00 -0.00 -0.31 -2.50 121.20 120.58 1c2y s ILE 75 Ca -0.00 -1.00 -0.02 0.00 -0.00 0.00 0.00 60.65 59.63 1c2y s ILE 75 Cb -0.05 -1.63 -0.02 0.00 -0.00 0.00 0.00 42.46 40.76 1c2y s ILE 75 CO -0.01 0.54 -0.07 0.54 -0.00 0.00 0.00 174.94 175.93 1c2y s VAL 76 N -0.15 3.52 -0.18 8.37 0.11 0.49 -0.17 120.40 132.39 1c2y s VAL 76 Ca -0.03 -0.49 -0.05 0.00 -2.93 0.00 0.00 61.98 58.49 1c2y s VAL 76 Cb -0.13 -2.53 -0.03 0.00 -1.53 0.00 0.00 36.38 32.16 1c2y s VAL 76 CO 0.03 0.50 -0.01 0.00 -3.33 0.00 0.00 175.10 172.29 1c2y s LEU 78 N 0.68 2.32 -0.05 0.00 1.02 0.89 0.30 118.68 123.84 1c2y s LEU 78 Ca -0.01 -0.54 -0.31 0.00 0.02 0.00 0.00 54.13 53.29 1c2y s LEU 78 Cb -0.14 -1.36 0.13 0.00 0.02 0.00 0.00 46.19 44.84 1c2y s LEU 78 CO 0.02 0.26 1.35 -0.83 0.02 0.00 0.00 176.35 177.17 1c2y s GLY 79 N -1.33 -0.45 -0.16 -3.19 0.00 -1.06 -2.04 107.32 99.09 1c2y s GLY 79 Ca 0.13 0.79 -0.07 0.00 0.00 0.00 0.00 44.72 45.57 1c2y s GLY 79 CO 0.03 0.30 0.36 0.00 0.00 0.00 0.00 173.10 173.79 1c2y s ALA 80 N -2.25 -0.90 -0.31 3.20 0.00 -1.26 -0.26 121.76 119.98 1c2y s ALA 80 Ca 0.15 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.43 1c2y s ALA 80 Cb 0.06 -1.06 0.09 0.00 0.00 0.00 0.00 23.12 22.21 1c2y s ALA 80 CO -0.05 -0.53 0.04 0.54 0.00 0.00 0.00 175.76 175.76 1c2y s VAL 81 N 2.08 1.66 0.10 0.00 0.11 0.26 -4.71 120.40 119.90 1c2y s VAL 81 Ca -0.04 -1.80 -0.26 0.00 -2.93 0.00 0.00 61.98 56.95 1c2y s VAL 81 Cb -0.11 -2.17 -0.07 0.00 -1.53 0.00 0.00 36.38 32.51 1c2y s VAL 81 CO -0.11 -0.52 0.81 0.68 -3.33 0.00 0.00 175.10 172.63 1c2y s VAL 82 N 1.24 4.54 -1.05 2.04 -7.23 -1.26 -3.92 120.40 114.77 1c2y s VAL 82 Ca 0.07 1.75 -0.24 0.00 -1.81 0.00 0.00 61.98 61.74 1c2y s VAL 82 Cb -0.18 -4.17 -0.11 0.00 0.56 0.00 0.00 36.38 32.48 1c2y s VAL 82 CO -0.13 0.42 2.02 -0.75 -0.31 0.00 0.00 175.10 176.34 1c2y s LYS 83 N -0.46 2.17 -0.03 4.82 2.20 0.22 -4.72 119.74 123.94 1c2y s LYS 83 Ca 0.39 -0.62 -0.14 0.00 -0.36 0.00 0.00 55.97 55.24 1c2y s LYS 83 Cb -0.22 -5.10 -0.08 0.00 -1.51 0.00 0.00 37.83 30.92 1c2y s LYS 83 CO 0.26 -4.15 0.62 0.78 -0.36 0.00 0.00 175.35 172.50 1c2y h GLY 84 N 19.14 -0.54 0.00 5.54 0.00 -1.91 -3.42 103.07 121.88 1c2y h GLY 84 Ca 0.12 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1c2y h GLY 84 CO 1.16 -0.20 0.00 1.22 0.00 0.00 0.00 176.54 178.72 1c2y n ASP 85 N -4.91 0.00 -4.06 0.19 8.00 -1.26 -5.12 116.55 109.39 1c2y n ASP 85 Ca -0.06 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.14 1c2y n ASP 85 Cb 0.20 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.53 1c2y n ASP 85 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1c2y s THR 86 N 0.13 1.72 -0.70 -3.53 -4.23 -1.26 -4.90 115.64 102.86 1c2y s THR 86 Ca 0.00 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.61 1c2y s THR 86 Cb 0.00 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.44 1c2y s THR 86 CO 0.00 0.00 1.31 -1.54 -0.54 0.00 0.00 174.62 173.85 1c2y n SER 87 N -4.59 0.23 -0.32 3.99 3.41 -1.26 -1.86 113.62 113.23 1c2y n SER 87 Ca 0.11 0.60 0.19 0.00 -0.26 0.00 0.00 58.87 59.50 1c2y n SER 87 Cb 0.59 -0.63 0.38 0.00 -0.26 0.00 0.00 64.21 64.29 1c2y n SER 87 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1c2y h HIS 88 N 0.00 0.58 -0.24 7.33 6.17 -1.99 1.75 115.15 128.74 1c2y h HIS 88 Ca 0.00 0.05 0.03 0.00 0.71 0.00 0.00 60.37 61.16 1c2y h HIS 88 Cb 0.05 -0.10 -0.05 0.00 2.52 0.00 0.00 27.41 29.83 1c2y h HIS 88 CO 0.00 -0.24 -0.33 -0.92 0.71 0.00 0.00 177.93 177.15 1c2y h TYR 89 N 0.22 -1.02 -0.32 5.26 3.20 -1.73 0.05 116.97 122.63 1c2y h TYR 89 Ca 0.65 0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.61 1c2y h TYR 89 Cb 1.43 0.47 -0.08 0.00 1.54 0.00 0.00 36.73 40.10 1c2y h TYR 89 CO -0.17 -0.29 -0.55 -0.44 -1.64 0.00 0.00 178.16 175.07 1c2y h ASP 90 N -0.24 -1.81 -0.48 -2.11 3.32 0.23 0.16 116.42 115.49 1c2y h ASP 90 Ca 0.04 0.23 0.04 0.00 0.02 0.00 0.00 57.03 57.37 1c2y h ASP 90 Cb 0.36 0.73 -0.06 0.00 0.22 0.00 0.00 39.33 40.58 1c2y h ASP 90 CO -0.35 -0.42 -0.28 0.00 -1.72 0.00 0.00 179.24 176.46 1c2y n ALA 91 N -3.06 -0.31 0.23 3.45 0.00 0.03 0.37 120.51 121.23 1c2y n ALA 91 Ca -0.04 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.67 1c2y n ALA 91 Cb 0.35 0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 1c2y n ALA 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1c2y h VAL 92 N 0.00 0.00 -0.94 0.00 2.07 -0.30 -1.14 116.25 115.93 1c2y h VAL 92 Ca 0.08 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.85 1c2y h VAL 92 Cb 0.20 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.80 1c2y h VAL 92 CO -0.45 0.00 0.06 0.58 0.02 0.00 0.00 177.57 177.78 1c2y h VAL 93 N -0.77 0.10 0.73 2.57 2.07 0.82 0.68 116.25 122.45 1c2y h VAL 93 Ca -0.05 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1c2y h VAL 93 Cb 0.67 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1c2y h VAL 93 CO -0.04 0.01 -0.35 0.78 0.02 0.00 0.00 177.57 177.99 1c2y h ASN 94 N 0.05 -0.83 -0.61 0.57 2.35 0.31 0.24 115.58 117.66 1c2y h ASN 94 Ca 0.57 0.02 0.13 0.00 -0.55 0.00 0.00 56.30 56.46 1c2y h ASN 94 Cb 1.16 0.21 -0.11 0.00 0.05 0.00 0.00 38.32 39.64 1c2y h ASN 94 CO -0.85 -0.46 -0.04 0.28 -1.65 0.00 0.00 177.43 174.71 1c2y h SER 95 N -1.23 -0.34 0.18 5.81 0.02 0.36 0.64 113.55 118.99 1c2y h SER 95 Ca -0.10 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1c2y h SER 95 Cb 0.76 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 1c2y h SER 95 CO 0.16 -0.14 -0.26 0.00 -1.14 0.00 0.00 176.83 175.46 1c2y h ALA 96 N 1.57 -0.89 -0.24 3.77 0.00 0.35 0.60 119.26 124.43 1c2y h ALA 96 Ca 0.31 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1c2y h ALA 96 Cb 0.50 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1c2y h ALA 96 CO -0.55 -0.92 -0.52 1.03 0.00 0.00 0.00 179.25 178.29 1c2y h SER 97 N -0.46 -1.69 -0.57 0.00 0.87 0.19 -1.14 113.55 110.75 1c2y h SER 97 Ca -0.02 0.21 0.12 0.00 -1.23 0.00 0.00 61.79 60.86 1c2y h SER 97 Cb 0.42 0.67 -0.10 0.00 -0.44 0.00 0.00 62.40 62.96 1c2y h SER 97 CO -0.07 -0.43 -0.05 -1.28 -0.53 0.00 0.00 176.83 174.47 1c2y h SER 98 N -0.48 -0.34 0.16 6.23 0.87 0.44 -1.01 113.55 119.42 1c2y h SER 98 Ca 0.05 0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1c2y h SER 98 Cb 0.61 0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 1c2y h SER 98 CO -0.48 -0.13 -0.50 1.23 -0.53 0.00 0.00 176.83 176.42 1c2y h GLY 99 N 0.07 -1.18 0.21 5.77 0.00 0.14 0.14 103.07 108.23 1c2y h GLY 99 Ca 0.29 0.64 0.18 0.00 0.00 0.00 0.00 47.33 48.43 1c2y h GLY 99 CO -0.52 -0.29 0.62 -2.08 0.00 0.00 0.00 176.54 174.27 1c2y h VAL 100 N -0.75 0.75 0.27 4.60 2.07 -0.84 0.26 116.25 122.61 1c2y h VAL 100 Ca -0.01 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1c2y h VAL 100 Cb 0.74 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1c2y h VAL 100 CO -0.25 0.14 -0.13 0.25 0.02 0.00 0.00 177.57 177.60 1c2y h LEU 101 N 0.78 -0.31 -0.94 2.57 5.85 -0.21 -2.03 115.31 121.01 1c2y h LEU 101 Ca 0.55 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.47 1c2y h LEU 101 Cb 0.84 0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.78 1c2y h LEU 101 CO -0.34 -0.21 -0.25 0.28 -0.34 0.00 0.00 178.44 177.58 1c2y h SER 102 N -0.38 -0.92 -0.00 1.25 0.02 0.10 0.11 113.55 113.72 1c2y h SER 102 Ca -0.04 0.28 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1c2y h SER 102 Cb 0.28 0.60 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 1c2y h SER 102 CO 0.06 -0.31 -0.42 0.00 -1.14 0.00 0.00 176.83 175.02 1c2y h ALA 103 N 1.89 -0.85 -0.60 3.77 0.00 -0.45 0.44 119.26 123.46 1c2y h ALA 103 Ca 0.44 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.41 1c2y h ALA 103 Cb 0.68 0.86 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 1c2y h ALA 103 CO -0.97 -0.98 -0.09 0.78 0.00 0.00 0.00 179.25 177.99 1c2y h GLY 104 N -0.52 0.50 0.89 0.00 0.00 -0.08 0.38 103.07 104.24 1c2y h GLY 104 Ca 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1c2y h GLY 104 CO -0.28 -0.22 -0.21 1.41 0.00 0.00 0.00 176.54 177.24 1c2y h LEU 105 N 0.04 -0.49 -0.68 3.11 -0.00 -0.02 0.32 115.31 117.59 1c2y h LEU 105 Ca 0.30 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.13 1c2y h LEU 105 Cb 0.47 0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 41.22 1c2y h LEU 105 CO -0.58 -0.27 0.40 0.78 -0.00 0.00 0.00 178.44 178.77 1c2y h ASN 106 N -0.70 0.83 1.65 -0.43 2.35 0.46 -2.40 115.58 117.35 1c2y h ASN 106 Ca -0.06 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1c2y h ASN 106 Cb 0.51 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1c2y h ASN 106 CO 0.10 0.66 -0.15 0.77 -1.65 0.00 0.00 177.43 177.16 1c2y h SER 107 N 0.93 0.00 -0.12 5.81 4.64 -0.23 -3.46 113.55 121.12 1c2y h SER 107 Ca 0.24 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 1c2y h SER 107 Cb -0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1c2y h SER 107 CO -0.04 0.15 -0.05 0.61 -0.87 0.00 0.00 176.83 176.63 1c2y n GLY 108 N 0.91 0.48 3.39 -0.77 0.00 0.11 -4.83 105.19 104.48 1c2y n GLY 108 Ca 0.03 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1c2y n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c2y s VAL 109 N -1.74 3.06 0.08 1.61 1.01 -0.99 -5.02 120.40 118.41 1c2y s VAL 109 Ca 0.00 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 1c2y s VAL 109 Cb 0.00 -2.27 -0.10 0.00 0.00 0.00 0.00 36.38 34.01 1c2y s VAL 109 CO 0.00 0.54 1.88 -2.65 0.00 0.00 0.00 175.10 174.87 1c2y n PRO 110 N 3.29 2.76 -4.09 2.72 -0.02 -1.26 -4.09 135.00 134.32 1c2y n PRO 110 Ca -0.18 1.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.98 1c2y n PRO 110 Cb 0.53 -2.92 -0.15 0.00 -0.02 0.00 0.00 33.50 30.93 1c2y n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1c2y s VAL 112 N 1.18 4.83 -1.20 0.00 1.01 0.76 -4.86 120.40 122.12 1c2y s VAL 112 Ca -0.03 1.89 -0.18 0.00 0.00 0.00 0.00 61.98 63.66 1c2y s VAL 112 Cb -0.17 -4.25 0.10 0.00 0.00 0.00 0.00 36.38 32.06 1c2y s VAL 112 CO -0.08 0.03 1.57 0.12 0.00 0.00 0.00 175.10 176.74 1c2y s PHE 113 N 1.96 2.95 -0.92 5.22 5.36 -1.26 -0.35 117.98 130.95 1c2y s PHE 113 Ca 0.45 -1.62 -0.00 0.00 -0.96 0.00 0.00 56.93 54.79 1c2y s PHE 113 Cb -0.18 -4.60 0.33 0.00 -0.34 0.00 0.00 43.02 38.24 1c2y s PHE 113 CO 0.16 -1.70 1.76 0.41 -1.46 0.00 0.00 175.22 174.40 1c2y n GLY 114 N 5.31 5.94 3.14 13.12 0.00 0.15 -4.95 105.19 127.89 1c2y n GLY 114 Ca 0.41 -2.58 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 1c2y n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c2y s VAL 115 N -4.58 1.68 0.26 1.61 0.11 -1.25 -2.57 120.40 115.65 1c2y s VAL 115 Ca 0.44 -0.80 -0.30 0.00 -2.93 0.00 0.00 61.98 58.39 1c2y s VAL 115 Cb 0.27 -1.47 -0.09 0.00 -1.53 0.00 0.00 36.38 33.55 1c2y s VAL 115 CO -0.20 0.47 1.02 -0.76 -3.33 0.00 0.00 175.10 172.30 1c2y s LEU 116 N 0.46 4.60 -0.33 2.54 1.43 0.64 -4.92 118.68 123.10 1c2y s LEU 116 Ca -0.17 2.12 0.16 0.00 -1.03 0.00 0.00 54.13 55.21 1c2y s LEU 116 Cb -0.17 -3.62 0.46 0.00 0.03 0.00 0.00 46.19 42.89 1c2y s LEU 116 CO 0.07 0.00 1.00 0.35 0.23 0.00 0.00 176.35 178.00 1c2y n THR 117 N 1.34 1.25 -2.16 5.49 -2.24 -1.26 -0.58 114.28 116.13 1c2y n THR 117 Ca -0.02 -3.33 -0.26 0.00 -2.27 0.00 0.00 64.05 58.17 1c2y n THR 117 Cb 0.46 0.43 0.08 0.00 -2.10 0.00 0.00 70.33 69.20 1c2y n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c2y n ASP 119 N -3.03 0.00 -4.88 0.00 8.00 -1.26 -1.84 116.55 113.54 1c2y n ASP 119 Ca 0.09 0.41 -0.31 0.00 0.71 0.00 0.00 54.79 55.69 1c2y n ASP 119 Cb 0.60 -0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 41.28 1c2y n ASP 119 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1c2y s ASN 120 N -2.51 6.57 0.21 -2.24 2.20 -1.26 -0.61 114.94 117.30 1c2y s ASN 120 Ca 0.00 0.94 -0.11 0.00 -0.94 0.00 0.00 52.86 52.76 1c2y s ASN 120 Cb 0.00 -2.24 0.30 0.00 -2.00 0.00 0.00 41.25 37.31 1c2y s ASN 120 CO 0.00 -0.19 1.66 -0.03 -2.94 0.00 0.00 177.10 175.60 1c2y h MET 121 N 1.99 0.10 -0.63 3.55 1.85 -1.93 -1.92 114.93 117.94 1c2y h MET 121 Ca -0.47 -0.01 0.13 0.00 -0.61 0.00 0.00 59.70 58.74 1c2y h MET 121 Cb 1.18 -0.02 -0.10 0.00 0.43 0.00 0.00 31.60 33.09 1c2y h MET 121 CO 0.67 0.07 0.08 0.22 -0.40 0.00 0.00 176.91 177.54 1c2y h ASP 122 N 0.11 -0.13 -0.69 1.39 1.82 -1.99 0.12 116.42 117.04 1c2y h ASP 122 Ca 0.33 0.14 0.08 0.00 -0.39 0.00 0.00 57.03 57.19 1c2y h ASP 122 Cb 0.53 0.22 -0.07 0.00 0.68 0.00 0.00 39.33 40.69 1c2y h ASP 122 CO -0.55 -0.06 0.35 1.56 -1.61 0.00 0.00 179.24 178.93 1c2y h GLN 123 N 0.19 0.60 0.42 0.28 4.20 -1.75 -1.93 115.11 117.11 1c2y h GLN 123 Ca 0.34 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1c2y h GLN 123 Cb 0.54 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1c2y h GLN 123 CO -0.48 0.39 -0.31 0.00 -0.67 0.00 0.00 178.83 177.76 1c2y h ALA 124 N 1.40 -0.73 -1.16 3.87 0.00 -0.78 -1.27 119.26 120.60 1c2y h ALA 124 Ca 0.33 -0.13 0.39 0.00 0.00 0.00 0.00 54.91 55.50 1c2y h ALA 124 Cb 0.32 0.41 -0.14 0.00 0.00 0.00 0.00 17.79 18.38 1c2y h ALA 124 CO -0.25 -0.94 0.70 0.82 0.00 0.00 0.00 179.25 179.59 1c2y h ILE 125 N -0.73 0.17 -0.10 0.00 1.08 -0.34 1.22 117.51 118.81 1c2y h ILE 125 Ca -0.04 -0.05 -0.14 0.00 -0.39 0.00 0.00 64.86 64.24 1c2y h ILE 125 Cb 0.62 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 1c2y h ILE 125 CO 0.01 0.03 -0.56 0.78 -0.69 0.00 0.00 178.15 177.72 1c2y h ASN 126 N 0.15 0.34 1.57 1.72 2.35 -0.77 -2.34 115.58 118.60 1c2y h ASN 126 Ca 0.79 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 56.36 1c2y h ASN 126 Cb 2.21 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.48 1c2y h ASN 126 CO -0.53 0.83 0.00 0.03 -1.65 0.00 0.00 177.43 176.11 1c2y h ARG 127 N 0.24 0.00 -2.08 0.81 2.47 0.20 0.43 114.38 116.44 1c2y h ARG 127 Ca 0.00 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 58.03 1c2y h ARG 127 Cb 1.06 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.14 1c2y h ARG 127 CO 0.09 0.00 0.97 0.00 0.56 0.00 0.00 179.97 181.59 1c2y n ALA 128 N -1.99 6.47 -0.52 0.04 0.00 -0.29 -0.03 120.51 124.20 1c2y n ALA 128 Ca 0.04 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.61 1c2y n ALA 128 Cb 0.44 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1c2y n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c2y n GLY 129 N 0.12 0.97 0.00 0.00 0.00 0.27 -4.82 105.19 101.73 1c2y n GLY 129 Ca 0.52 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1c2y n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2y n GLY 130 N -1.92 2.54 0.00 -0.02 0.00 0.09 -4.86 105.19 101.02 1c2y n GLY 130 Ca 0.00 -1.99 0.08 0.00 0.00 0.00 0.00 46.02 44.10 1c2y n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1c2y n LYS 131 N 0.00 0.47 -0.21 1.61 2.85 -1.25 -1.06 118.16 120.57 1c2y n LYS 131 Ca 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.36 1c2y n LYS 131 Cb 0.00 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.09 1c2y n LYS 131 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c2y n ALA 132 N -1.00 2.37 0.00 0.58 0.00 -0.90 -5.06 120.51 116.49 1c2y n ALA 132 Ca 0.11 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1c2y n ALA 132 Cb 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1c2y n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c2y n GLY 133 N 1.25 -0.95 2.61 0.00 0.00 -0.22 -4.69 105.19 103.18 1c2y n GLY 133 Ca 0.18 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 1c2y n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c2y s ASN 134 N -4.00 2.60 0.22 1.61 3.84 -1.16 0.96 114.94 119.01 1c2y s ASN 134 Ca 0.00 -0.80 -0.08 0.00 0.21 0.00 0.00 52.86 52.19 1c2y s ASN 134 Cb 0.00 -0.16 0.29 0.00 -0.55 0.00 0.00 41.25 40.82 1c2y s ASN 134 CO 0.00 -0.38 1.81 0.50 -2.79 0.00 0.00 177.10 176.24 1c2y h LYS 135 N 8.40 0.70 -0.30 0.43 3.64 -0.76 -1.73 116.57 126.94 1c2y h LYS 135 Ca -0.17 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1c2y h LYS 135 Cb 1.10 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.69 1c2y h LYS 135 CO 0.34 0.47 -0.49 0.78 -2.27 0.00 0.00 179.45 178.28 1c2y h GLY 136 N 0.72 -1.14 0.40 5.01 0.00 -1.80 0.38 103.07 106.64 1c2y h GLY 136 Ca 0.33 0.72 0.05 0.00 0.00 0.00 0.00 47.33 48.43 1c2y h GLY 136 CO -0.20 -0.21 -0.14 0.00 0.00 0.00 0.00 176.54 175.99 1c2y h ALA 137 N -0.26 0.02 -0.59 3.60 0.00 -1.64 -1.13 119.26 119.26 1c2y h ALA 137 Ca 0.05 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1c2y h ALA 137 Cb 0.54 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 1c2y h ALA 137 CO -0.49 -0.56 0.09 0.93 0.00 0.00 0.00 179.25 179.22 1c2y h GLU 138 N -0.13 0.20 -0.38 0.00 5.08 -0.36 -0.27 114.58 118.72 1c2y h GLU 138 Ca 0.12 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1c2y h GLU 138 Cb 0.31 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1c2y h GLU 138 CO -0.29 0.13 0.13 0.77 -1.00 0.00 0.00 179.01 178.76 1c2y h SER 139 N 0.21 0.13 0.33 1.42 0.02 0.82 0.11 113.55 116.59 1c2y h SER 139 Ca 0.31 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1c2y h SER 139 Cb 0.47 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 1c2y h SER 139 CO -0.43 0.11 -0.37 0.00 -1.14 0.00 0.00 176.83 175.00 1c2y h ALA 140 N 1.25 -0.78 -0.70 3.77 0.00 0.02 0.32 119.26 123.15 1c2y h ALA 140 Ca 0.18 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.12 1c2y h ALA 140 Cb 0.16 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 18.38 1c2y h ALA 140 CO -0.19 -0.98 0.04 1.25 0.00 0.00 0.00 179.25 179.38 1c2y h LEU 141 N -0.74 -0.24 -0.49 0.00 7.12 -0.62 0.31 115.31 120.65 1c2y h LEU 141 Ca -0.02 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1c2y h LEU 141 Cb 0.68 0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 41.07 1c2y h LEU 141 CO -0.09 -0.12 0.31 0.74 -0.13 0.00 0.00 178.44 179.15 1c2y h THR 142 N 0.14 1.14 -0.41 1.05 2.02 0.32 -1.29 112.91 115.89 1c2y h THR 142 Ca 0.38 -0.30 0.09 0.00 0.77 0.00 0.00 66.41 67.34 1c2y h THR 142 Cb 0.65 0.46 -0.09 0.00 -1.74 0.00 0.00 68.15 67.42 1c2y h THR 142 CO -0.58 0.14 -0.20 0.00 0.37 0.00 0.00 175.52 175.25 1c2y h ALA 143 N 1.16 0.10 0.03 6.16 0.00 0.33 0.21 119.26 127.24 1c2y h ALA 143 Ca 0.18 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1c2y h ALA 143 Cb -0.03 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1c2y h ALA 143 CO -0.04 -0.56 -0.17 0.82 0.00 0.00 0.00 179.25 179.31 1c2y h ILE 144 N -0.12 0.00 -0.85 0.00 2.04 -0.56 0.40 117.51 118.43 1c2y h ILE 144 Ca 0.20 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.28 1c2y h ILE 144 Cb 0.43 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.38 1c2y h ILE 144 CO -0.49 0.00 0.23 -0.08 0.00 0.00 0.00 178.15 177.81 1c2y h GLU 145 N -0.23 0.23 0.00 2.37 4.81 -0.47 0.14 114.58 121.43 1c2y h GLU 145 Ca -0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1c2y h GLU 145 Cb 0.23 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1c2y h GLU 145 CO -0.10 0.15 -0.00 0.52 -0.73 0.00 0.00 179.01 178.85 1c2y h MET 146 N 0.24 -0.00 0.15 1.92 2.86 0.08 0.18 114.93 120.35 1c2y h MET 146 Ca 0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.17 1c2y h MET 146 Cb 1.02 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 1c2y h MET 146 CO -0.62 0.15 -0.39 0.00 1.06 0.00 0.00 176.91 177.12 1c2y h ALA 147 N 0.84 -0.92 -0.73 6.32 0.00 0.73 -0.29 119.26 125.21 1c2y h ALA 147 Ca -0.00 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 54.98 1c2y h ALA 147 Cb 0.15 0.75 -0.13 0.00 0.00 0.00 0.00 17.79 18.56 1c2y h ALA 147 CO 0.00 -1.00 -0.01 1.03 0.00 0.00 0.00 179.25 179.27 1c2y h SER 148 N -0.60 -0.35 -0.67 0.00 0.87 -0.96 0.41 113.55 112.26 1c2y h SER 148 Ca -0.01 0.19 0.12 0.00 -1.23 0.00 0.00 61.79 60.85 1c2y h SER 148 Cb 0.58 0.34 -0.09 0.00 -0.44 0.00 0.00 62.40 62.79 1c2y h SER 148 CO -0.18 -0.17 0.22 0.25 -0.53 0.00 0.00 176.83 176.43 1c2y h LEU 149 N 0.10 0.17 -1.84 2.23 5.85 0.48 0.02 115.31 122.33 1c2y h LEU 149 Ca 0.39 0.10 0.02 0.00 0.84 0.00 0.00 57.88 59.24 1c2y h LEU 149 Cb 0.68 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1c2y h LEU 149 CO -0.64 0.08 0.15 -0.26 -0.34 0.00 0.00 178.44 177.43 1c2y h PHE 150 N 0.38 0.20 -2.75 1.25 -1.00 0.15 0.52 116.94 115.70 1c2y h PHE 150 Ca 0.35 0.00 -0.69 0.00 2.81 0.00 0.00 57.97 60.45 1c2y h PHE 150 Cb 0.51 -0.07 -0.36 0.00 3.61 0.00 0.00 35.95 39.64 1c2y h PHE 150 CO -0.19 0.12 -0.03 0.39 -1.61 0.00 0.00 178.31 176.99 1c2y n GLU 151 N -4.50 3.15 0.00 1.51 4.71 -0.01 -0.43 120.64 125.07 1c2y n GLU 151 Ca 0.01 -4.58 0.00 0.00 -0.01 0.00 0.00 57.16 52.58 1c2y n GLU 151 Cb 0.15 -2.38 0.00 0.00 -1.01 0.00 0.00 31.44 28.20 1c2y n GLU 151 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1c2y n HIS 152 N 1.42 0.00 -0.12 -0.32 -0.00 -1.18 -4.90 115.22 110.12 1c2y n HIS 152 Ca 0.26 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.75 1c2y n HIS 152 Cb 0.37 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.28 1c2y n HIS 152 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1c2y n HIS 153 N 0.00 0.05 0.00 1.57 1.44 0.17 -4.93 115.22 113.52 1c2y n HIS 153 Ca 0.00 0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 1c2y n HIS 153 Cb 0.00 -0.86 0.00 0.00 0.12 0.00 0.00 29.99 29.25 1c2y n HIS 153 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1c2y n LEU 154 N -4.32 0.00 -0.58 2.39 7.94 0.43 -5.05 117.00 117.81 1c2y n LEU 154 Ca -0.42 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.55 1c2y n LEU 154 Cb 0.77 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.78 1c2y n LEU 154 CO 0.09 0.00 0.48 2.29 -1.11 0.00 0.00 177.39 179.14