#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 1.14 -0.64 6.12 4.22 -1.26 -5.10 114.94 119.42 1c2y s ASN 2 Ca 0.00 -0.95 -0.26 0.00 -2.14 0.00 0.00 52.86 49.51 1c2y s ASN 2 Cb 0.00 0.70 -0.06 0.00 1.28 0.00 0.00 41.25 43.16 1c2y s ASN 2 CO 0.00 -0.33 2.19 -1.61 -2.04 0.00 0.00 177.10 175.30 1c2y s GLU 3 N 2.08 2.22 -0.91 3.55 2.02 -1.26 -4.88 118.70 121.51 1c2y s GLU 3 Ca 0.12 0.77 -0.21 0.00 0.02 0.00 0.00 54.97 55.67 1c2y s GLU 3 Cb -0.14 -4.63 0.09 0.00 0.10 0.00 0.00 34.13 29.56 1c2y s GLU 3 CO -0.22 -3.36 1.21 -0.51 0.02 0.00 0.00 175.26 172.40 1c2y s LEU 4 N 11.50 4.43 0.18 1.80 1.43 -1.26 -4.98 118.68 131.78 1c2y s LEU 4 Ca 0.84 -1.66 0.07 0.00 -1.03 0.00 0.00 54.13 52.35 1c2y s LEU 4 Cb -0.14 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1c2y s LEU 4 CO 0.17 -1.28 0.01 -0.70 0.23 0.00 0.00 176.35 174.78 1c2y s GLU 5 N 3.67 2.42 1.04 1.70 2.12 -1.26 -5.05 118.70 123.35 1c2y s GLU 5 Ca 0.35 -1.11 -0.16 0.00 0.36 0.00 0.00 54.97 54.41 1c2y s GLU 5 Cb -0.05 -2.36 0.22 0.00 0.26 0.00 0.00 34.13 32.19 1c2y s GLU 5 CO -0.06 0.45 1.19 0.20 -0.54 0.00 0.00 175.26 176.50 1c2y s GLY 6 N -2.99 1.65 -0.12 -1.50 0.00 -1.26 -4.77 107.32 98.33 1c2y s GLY 6 Ca 0.28 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 44.10 1c2y s GLY 6 CO 0.19 -0.16 -0.19 -0.19 0.00 0.00 0.00 173.10 172.75 1c2y s TYR 7 N -3.38 2.30 -0.45 1.90 2.02 -1.26 -4.88 117.35 113.60 1c2y s TYR 7 Ca 0.70 -1.10 0.23 0.00 -0.37 0.00 0.00 57.07 56.53 1c2y s TYR 7 Cb -0.09 -1.60 0.20 0.00 -0.40 0.00 0.00 41.96 40.07 1c2y s TYR 7 CO 0.54 -0.52 1.23 -0.24 -1.57 0.00 0.00 175.55 174.99 1c2y h VAL 8 N 5.88 0.00 0.06 0.71 3.04 -1.93 -3.36 116.25 120.65 1c2y h VAL 8 Ca -0.31 -0.75 -0.24 0.00 -1.01 0.00 0.00 66.70 64.39 1c2y h VAL 8 Cb 1.19 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1c2y h VAL 8 CO 0.51 0.00 -1.06 0.74 -1.01 0.00 0.00 177.57 176.75 1c2y h THR 9 N 0.00 1.45 -0.40 3.17 2.02 -1.94 -3.35 112.91 113.86 1c2y h THR 9 Ca 0.00 -2.73 -0.27 0.00 0.77 0.00 0.00 66.41 64.17 1c2y h THR 9 Cb 0.88 2.65 -0.10 0.00 -1.74 0.00 0.00 68.15 69.84 1c2y h THR 9 CO 0.00 0.80 0.04 2.29 0.37 0.00 0.00 175.52 179.03 1c2y n LYS 10 N -3.65 1.93 0.00 6.66 2.85 -1.26 -4.73 118.16 119.96 1c2y n LYS 10 Ca -0.07 -1.34 0.00 0.00 -1.05 0.00 0.00 58.31 55.85 1c2y n LYS 10 Cb 0.91 -1.82 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 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 1.50 0.00 0.00 0.58 0.00 -1.26 -4.41 120.51 116.91 1c2y n ALA 11 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1c2y n ALA 11 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 0.11 117.38 116.19 1c2y n GLN 12 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 57.00 57.19 1c2y n GLN 12 Cb 0.00 0.00 0.97 0.00 0.00 0.00 0.00 30.24 31.21 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 -3.58 2.61 4.64 -1.88 -3.11 113.55 112.23 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 0.02 0.15 -0.36 -0.87 0.00 0.00 176.83 175.77 1c2y s PHE 14 N -4.01 3.28 -0.14 4.77 0.40 0.12 -5.07 117.98 117.33 1c2y s PHE 14 Ca -0.03 0.63 0.02 0.00 -0.60 0.00 0.00 56.93 56.95 1c2y s PHE 14 Cb 0.12 -2.67 0.01 0.00 0.51 0.00 0.00 43.02 40.99 1c2y s PHE 14 CO 0.48 -0.74 -0.20 0.50 0.70 0.00 0.00 175.22 175.96 1c2y s ARG 15 N -4.94 2.85 0.28 0.44 6.06 -1.26 -4.61 118.95 117.78 1c2y s ARG 15 Ca 0.53 -0.79 0.06 0.00 -2.50 0.00 0.00 55.73 53.03 1c2y s ARG 15 Cb -0.10 -2.36 -0.06 0.00 0.06 0.00 0.00 34.95 32.49 1c2y s ARG 15 CO 0.45 -0.07 -0.05 -0.06 -2.50 0.00 0.00 175.30 173.07 1c2y s PHE 16 N 0.96 1.96 -0.04 5.12 0.08 -1.26 0.22 117.98 125.02 1c2y s PHE 16 Ca -0.04 -0.71 -0.02 0.00 0.12 0.00 0.00 56.93 56.27 1c2y s PHE 16 Cb -0.15 -1.13 0.02 0.00 -0.57 0.00 0.00 43.02 41.19 1c2y s PHE 16 CO -0.04 0.27 0.08 0.00 -0.10 0.00 0.00 175.22 175.43 1c2y s ALA 17 N -3.02 -0.15 -0.08 5.36 0.00 -1.04 -2.86 121.76 119.97 1c2y s ALA 17 Ca 0.30 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 1c2y s ALA 17 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1c2y s ALA 17 CO 0.12 -0.08 -0.02 0.42 0.00 0.00 0.00 175.76 176.20 1c2y s ILE 18 N 0.54 4.09 -0.12 0.00 1.09 0.63 -0.50 121.20 126.93 1c2y s ILE 18 Ca -0.04 -0.35 0.00 0.00 -1.10 0.00 0.00 60.65 59.16 1c2y s ILE 18 Cb -0.06 -2.71 0.02 0.00 -1.06 0.00 0.00 42.46 38.66 1c2y s ILE 18 CO -0.02 0.59 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.62 1c2y s VAL 19 N -0.87 1.21 0.02 2.92 1.01 0.13 0.27 120.40 125.10 1c2y s VAL 19 Ca 0.13 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1c2y s VAL 19 Cb -0.11 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1c2y s VAL 19 CO 0.02 0.40 -0.19 0.68 0.00 0.00 0.00 175.10 176.01 1c2y s VAL 20 N 1.54 1.49 0.05 2.92 -7.23 0.04 0.17 120.40 119.39 1c2y s VAL 20 Ca 0.03 -0.98 -0.19 0.00 -1.81 0.00 0.00 61.98 59.03 1c2y s VAL 20 Cb -0.13 -1.27 -0.06 0.00 0.56 0.00 0.00 36.38 35.47 1c2y s VAL 20 CO -0.08 0.27 0.56 0.00 -0.31 0.00 0.00 175.10 175.55 1c2y s ALA 21 N -0.63 3.58 0.22 1.32 0.00 -0.91 -0.72 121.76 124.61 1c2y s ALA 21 Ca 0.06 0.02 0.16 0.00 0.00 0.00 0.00 51.96 52.20 1c2y s ALA 21 Cb -0.08 -2.64 0.58 0.00 0.00 0.00 0.00 23.12 20.98 1c2y s ALA 21 CO 0.01 0.36 1.70 -0.09 0.00 0.00 0.00 175.76 177.74 1c2y h ARG 22 N 4.75 0.00 -6.57 0.00 2.43 0.10 -3.44 114.38 111.66 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 0.09 0.00 -0.42 0.00 0.00 29.97 30.85 1c2y h ARG 22 CO 0.64 0.46 0.53 0.34 -1.51 0.00 0.00 179.97 180.43 1c2y n PHE 23 N -3.66 2.02 -2.69 2.20 -0.00 -0.34 -0.66 117.46 114.33 1c2y n PHE 23 Ca -0.01 0.49 -0.20 0.00 -0.00 0.00 0.00 57.45 57.73 1c2y n PHE 23 Cb 0.54 -2.42 0.01 0.00 -0.00 0.00 0.00 39.48 37.61 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 1.93 -5.72 -0.33 -2.13 3.02 -1.26 -4.58 115.26 106.19 1c2y n ASN 24 Ca 0.11 -0.15 0.26 0.00 -0.03 0.00 0.00 54.58 54.77 1c2y n ASN 24 Cb 0.31 -4.64 0.49 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 -0.70 0.05 -1.24 3.52 4.81 -1.17 0.31 114.58 120.17 1c2y h GLU 25 Ca -0.48 -0.00 0.36 0.00 -0.13 0.00 0.00 59.36 59.11 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 0.54 0.04 0.83 0.35 -0.73 0.00 0.00 179.01 180.03 1c2y h PHE 26 N 0.05 0.40 0.00 0.92 3.04 -1.88 0.13 116.94 119.60 1c2y h PHE 26 Ca 0.76 0.02 -0.28 0.00 3.98 0.00 0.00 57.97 62.45 1c2y h PHE 26 Cb 1.89 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 40.25 1c2y h PHE 26 CO -0.13 -0.04 -1.84 0.28 -2.02 0.00 0.00 178.31 174.56 1c2y n VAL 27 N -4.48 1.51 -0.23 1.41 0.31 0.10 -4.37 118.33 112.59 1c2y n VAL 27 Ca 0.30 -0.16 0.03 0.00 -0.01 0.00 0.00 64.34 64.51 1c2y n VAL 27 Cb 1.23 -2.07 0.14 0.00 -0.91 0.00 0.00 33.84 32.23 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 -1.00 0.48 -0.28 2.52 1.35 -0.83 0.18 112.91 115.34 1c2y h THR 28 Ca -0.42 -0.06 0.05 0.00 -0.55 0.00 0.00 66.41 65.43 1c2y h THR 28 Cb 1.34 0.29 -0.08 0.00 -1.73 0.00 0.00 68.15 67.97 1c2y h THR 28 CO -0.25 0.03 -0.46 -0.09 -0.25 0.00 0.00 175.52 174.50 1c2y h ARG 29 N 0.18 -0.41 -0.12 4.72 9.65 -1.00 0.52 114.38 127.92 1c2y h ARG 29 Ca 0.37 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.32 1c2y h ARG 29 Cb 0.62 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 29.23 1c2y h ARG 29 CO -0.54 -0.28 -0.33 0.00 2.80 0.00 0.00 179.97 181.63 1c2y h ARG 30 N -0.43 -0.40 -0.63 0.20 2.47 -1.31 0.23 114.38 114.52 1c2y h ARG 30 Ca 0.09 0.03 0.12 0.00 -1.26 0.00 0.00 59.98 58.96 1c2y h ARG 30 Cb 0.62 0.09 -0.12 0.00 -1.65 0.00 0.00 29.97 28.91 1c2y h ARG 30 CO -0.50 -0.27 -0.29 1.25 0.56 0.00 0.00 179.97 180.72 1c2y h LEU 31 N -0.41 -1.02 0.45 3.04 5.85 0.11 0.19 115.31 123.51 1c2y h LEU 31 Ca 0.09 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1c2y h LEU 31 Cb 0.56 0.54 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1c2y h LEU 31 CO -0.35 -0.28 -0.22 -0.03 -0.34 0.00 0.00 178.44 177.22 1c2y h MET 32 N -0.12 -0.59 -1.02 1.25 4.05 0.13 -1.41 114.93 117.23 1c2y h MET 32 Ca 0.26 0.04 0.28 0.00 -0.28 0.00 0.00 59.70 60.00 1c2y h MET 32 Cb 0.54 0.13 -0.13 0.00 -0.80 0.00 0.00 31.60 31.34 1c2y h MET 32 CO -0.70 -0.36 0.60 0.93 0.23 0.00 0.00 176.91 177.61 1c2y h GLU 33 N -0.67 0.45 0.41 0.39 5.08 0.26 0.18 114.58 120.67 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 0.50 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1c2y h GLU 33 CO 0.10 0.29 -0.19 0.78 -1.00 0.00 0.00 179.01 178.99 1c2y h GLY 34 N 0.46 -0.57 0.37 -3.84 0.00 0.35 0.15 103.07 99.99 1c2y h GLY 34 Ca 0.68 0.21 0.07 0.00 0.00 0.00 0.00 47.33 48.29 1c2y h GLY 34 CO -0.51 -0.21 -0.04 0.00 0.00 0.00 0.00 176.54 175.79 1c2y h ALA 35 N -0.09 0.28 0.09 3.60 0.00 0.15 -0.44 119.26 122.85 1c2y h ALA 35 Ca -0.06 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1c2y h ALA 35 Cb 0.48 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1c2y h ALA 35 CO 0.09 -0.43 -0.32 1.25 0.00 0.00 0.00 179.25 179.84 1c2y h LEU 36 N 0.05 -0.97 -0.64 0.00 5.85 -0.74 -1.54 115.31 117.31 1c2y h LEU 36 Ca 0.17 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.09 1c2y h LEU 36 Cb 0.25 0.36 -0.11 0.00 0.37 0.00 0.00 40.66 41.52 1c2y h LEU 36 CO -0.32 -0.35 -0.41 -0.78 -0.34 0.00 0.00 178.44 176.23 1c2y h ASP 37 N -0.47 -1.44 -0.82 1.25 1.82 -0.47 0.18 116.42 116.47 1c2y h ASP 37 Ca -0.01 0.25 0.20 0.00 -0.39 0.00 0.00 57.03 57.08 1c2y h ASP 37 Cb 0.47 0.68 -0.13 0.00 0.68 0.00 0.00 39.33 41.03 1c2y h ASP 37 CO -0.17 -0.32 0.22 0.74 -1.61 0.00 0.00 179.24 178.10 1c2y h THR 38 N -0.18 0.42 0.28 2.25 2.02 -0.67 0.34 112.91 117.37 1c2y h THR 38 Ca 0.21 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1c2y h THR 38 Cb 0.56 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1c2y h THR 38 CO -0.73 0.05 -0.47 -0.26 0.37 0.00 0.00 175.52 174.48 1c2y h PHE 39 N 0.26 -1.32 -0.32 3.16 0.04 0.37 0.28 116.94 119.41 1c2y h PHE 39 Ca 0.49 0.02 0.04 0.00 2.80 0.00 0.00 57.97 61.33 1c2y h PHE 39 Cb 0.92 0.54 -0.04 0.00 2.20 0.00 0.00 35.95 39.57 1c2y h PHE 39 CO -0.26 -0.59 0.08 0.87 -0.60 0.00 0.00 178.31 177.81 1c2y h LYS 40 N -0.81 0.20 -1.00 1.51 1.79 -0.90 0.20 116.57 117.56 1c2y h LYS 40 Ca -0.02 -0.01 0.25 0.00 -2.18 0.00 0.00 60.65 58.69 1c2y h LYS 40 Cb 0.77 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.30 1c2y h LYS 40 CO -0.18 0.13 0.67 -0.22 -1.08 0.00 0.00 179.45 178.77 1c2y h LYS 41 N 0.20 0.30 -1.36 3.15 3.64 0.25 0.50 116.57 123.25 1c2y h LYS 41 Ca 0.15 -0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.92 1c2y h LYS 41 Cb 0.15 -0.07 -0.24 0.00 -0.41 0.00 0.00 32.23 31.66 1c2y h LYS 41 CO -0.18 0.20 0.76 0.66 -2.27 0.00 0.00 179.45 178.61 1c2y n TYR 42 N -4.49 2.65 -0.31 1.91 4.02 0.95 -4.88 117.16 117.00 1c2y n TYR 42 Ca 0.23 -2.58 0.00 0.00 -0.01 0.00 0.00 57.90 55.54 1c2y n TYR 42 Cb 0.87 -1.29 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 -0.40 -1.05 -4.77 7.72 3.41 0.17 -4.18 113.62 114.52 1c2y n SER 43 Ca 0.52 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.73 1c2y n SER 43 Cb 0.57 -1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 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 -0.44 2.98 -0.26 -3.33 0.11 -0.99 -3.84 120.40 114.63 1c2y s VAL 44 Ca 0.00 0.98 -0.02 0.00 -2.93 0.00 0.00 61.98 60.01 1c2y s VAL 44 Cb 0.00 -3.62 0.15 0.00 -1.53 0.00 0.00 36.38 31.38 1c2y s VAL 44 CO 0.00 0.23 0.45 0.21 -3.33 0.00 0.00 175.10 172.66 1c2y s ASN 45 N -0.59 -0.27 0.00 3.54 3.84 -1.18 -4.36 114.94 115.92 1c2y s ASN 45 Ca 0.48 0.42 0.00 0.00 0.21 0.00 0.00 52.86 53.97 1c2y s ASN 45 Cb -0.37 1.45 0.00 0.00 -0.55 0.00 0.00 41.25 41.78 1c2y s ASN 45 CO 0.49 -0.29 0.75 1.21 -2.79 0.00 0.00 177.10 176.47 1c2y n GLU 46 N 5.38 0.00 -4.16 0.43 2.13 -1.26 -4.82 120.64 118.34 1c2y n GLU 46 Ca -0.03 -0.70 -0.28 0.00 0.66 0.00 0.00 57.16 56.81 1c2y n GLU 46 Cb 0.50 0.43 -0.09 0.00 0.27 0.00 0.00 31.44 32.55 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 0.85 0.00 4.31 2.03 -1.26 -4.71 116.55 117.77 1c2y n ASP 47 Ca -0.20 -1.17 0.00 0.00 0.52 0.00 0.00 54.79 53.95 1c2y n ASP 47 Cb 0.58 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 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 -4.28 0.00 -2.74 5.18 -0.00 -1.26 -4.88 119.36 111.39 1c2y n ILE 48 Ca -0.30 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.04 1c2y n ILE 48 Cb 0.64 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.24 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 -4.91 116.67 126.17 1c2y s ASP 49 Ca 0.00 1.66 -0.02 0.00 0.18 0.00 0.00 52.55 54.37 1c2y s ASP 49 Cb 0.00 -2.56 0.01 0.00 1.07 0.00 0.00 42.92 41.44 1c2y s ASP 49 CO 0.00 -0.21 -0.07 0.68 1.18 0.00 0.00 175.17 176.75 1c2y s VAL 50 N 0.76 2.95 -0.24 -1.27 -7.23 -1.26 -0.27 120.40 113.85 1c2y s VAL 50 Ca 0.50 -0.80 -0.07 0.00 -1.81 0.00 0.00 61.98 59.80 1c2y s VAL 50 Cb -0.21 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1c2y s VAL 50 CO 0.28 0.34 0.07 -0.69 -0.31 0.00 0.00 175.10 174.78 1c2y s VAL 51 N 1.38 4.36 -0.12 1.32 1.01 0.14 -4.97 120.40 123.52 1c2y s VAL 51 Ca 0.03 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 1c2y s VAL 51 Cb -0.15 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1c2y s VAL 51 CO -0.05 0.36 0.52 0.26 0.00 0.00 0.00 175.10 176.18 1c2y s TRP 52 N 1.44 3.50 0.07 5.22 0.52 -1.26 -0.78 118.94 127.66 1c2y s TRP 52 Ca 0.05 0.93 0.07 0.00 0.02 0.00 0.00 56.10 57.18 1c2y s TRP 52 Cb -0.15 -2.61 -0.03 0.00 -1.15 0.00 0.00 33.47 29.53 1c2y s TRP 52 CO 0.04 0.11 -0.20 0.14 0.02 0.00 0.00 176.95 177.06 1c2y s VAL 53 N 0.81 1.60 0.07 4.03 -7.23 0.10 -4.95 120.40 114.83 1c2y s VAL 53 Ca 0.28 -1.35 -0.24 0.00 -1.81 0.00 0.00 61.98 58.86 1c2y s VAL 53 Cb -0.16 -1.43 -0.16 0.00 0.56 0.00 0.00 36.38 35.19 1c2y s VAL 53 CO 0.11 0.04 1.66 1.55 -0.31 0.00 0.00 175.10 178.15 1c2y h PRO 54 N 4.47 -0.03 -5.63 4.82 0.13 -1.94 0.27 132.00 134.10 1c2y h PRO 54 Ca -0.44 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.24 1c2y h PRO 54 Cb 1.17 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1c2y h PRO 54 CO 0.42 0.06 -0.76 0.20 -0.23 0.00 0.00 178.00 177.69 1c2y s GLY 55 N -2.35 1.30 0.46 1.56 0.00 -1.26 -1.20 107.32 105.83 1c2y s GLY 55 Ca -0.14 -1.49 0.22 0.00 0.00 0.00 0.00 44.72 43.31 1c2y s GLY 55 CO 0.66 -1.56 1.87 0.00 0.00 0.00 0.00 173.10 174.07 1c2y h ALA 56 N 3.07 2.40 -0.73 3.20 0.00 -1.93 0.34 119.26 125.61 1c2y h ALA 56 Ca -0.40 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.64 1c2y h ALA 56 Cb 1.21 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1c2y h ALA 56 CO 0.55 -0.67 0.32 -0.92 0.00 0.00 0.00 179.25 178.53 1c2y h TYR 57 N 0.27 0.55 -0.72 0.00 5.03 -1.94 -1.51 116.97 118.65 1c2y h TYR 57 Ca 0.44 0.03 0.10 0.00 2.58 0.00 0.00 58.73 61.88 1c2y h TYR 57 Cb 1.30 -0.13 -0.05 0.00 1.55 0.00 0.00 36.73 39.40 1c2y h TYR 57 CO -0.00 0.12 0.47 0.93 -1.32 0.00 0.00 178.16 178.37 1c2y h GLU 58 N 0.50 0.58 -0.84 1.82 3.07 -0.72 -3.00 114.58 115.99 1c2y h GLU 58 Ca 0.39 -0.04 0.16 0.00 -0.50 0.00 0.00 59.36 59.38 1c2y h GLU 58 Cb 0.53 -0.13 -0.16 0.00 -0.84 0.00 0.00 28.75 28.15 1c2y h GLU 58 CO -0.35 0.39 -0.22 1.28 -1.40 0.00 0.00 179.01 178.71 1c2y n LEU 59 N -4.49 -0.32 0.00 1.33 4.77 -0.57 -2.54 117.00 115.18 1c2y n LEU 59 Ca 0.12 1.44 0.00 0.00 -0.03 0.00 0.00 56.01 57.54 1c2y n LEU 59 Cb 0.35 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1c2y n LEU 59 CO 0.33 -1.38 0.31 0.61 -1.33 0.00 0.00 177.39 175.93 1c2y n GLY 60 N -1.52 -3.50 0.28 -0.72 0.00 -1.14 -0.31 105.19 98.29 1c2y n GLY 60 Ca 0.13 0.73 -0.02 0.00 0.00 0.00 0.00 46.02 46.86 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 1.05 -0.25 1.61 -1.51 -1.77 0.87 116.25 116.26 1c2y h VAL 61 Ca 0.00 -0.28 0.05 0.00 -1.23 0.00 0.00 66.70 65.24 1c2y h VAL 61 Cb 0.00 0.15 -0.05 0.00 -2.13 0.00 0.00 31.29 29.26 1c2y h VAL 61 CO 0.00 0.15 -0.10 0.74 -1.23 0.00 0.00 177.57 177.13 1c2y h THR 62 N 0.83 0.66 0.35 7.19 2.02 -1.16 0.22 112.91 123.01 1c2y h THR 62 Ca 0.30 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.46 1c2y h THR 62 Cb 0.09 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1c2y h THR 62 CO -0.14 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.58 1c2y h ALA 63 N 1.15 -0.47 -0.71 6.16 0.00 -0.10 -1.96 119.26 123.34 1c2y h ALA 63 Ca 0.13 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1c2y h ALA 63 Cb 0.26 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1c2y h ALA 63 CO -0.29 -0.75 -0.32 0.94 0.00 0.00 0.00 179.25 178.83 1c2y n GLN 64 N -5.28 -0.21 0.03 0.00 -0.06 0.25 0.35 117.38 112.45 1c2y n GLN 64 Ca -0.10 1.08 -0.01 0.00 -2.00 0.00 0.00 57.00 55.97 1c2y n GLN 64 Cb 0.21 -1.61 -0.01 0.00 -4.06 0.00 0.00 30.24 24.78 1c2y n GLN 64 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1c2y h ALA 65 N 0.78 -0.92 -0.98 1.69 0.00 -0.12 -1.16 119.26 118.55 1c2y h ALA 65 Ca 0.20 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.44 1c2y h ALA 65 Cb 0.38 0.13 -0.17 0.00 0.00 0.00 0.00 17.79 18.13 1c2y h ALA 65 CO -0.69 -0.92 0.40 -0.07 0.00 0.00 0.00 179.25 177.97 1c2y h LEU 66 N -0.07 0.16 0.27 0.00 3.38 -0.33 0.38 115.31 119.09 1c2y h LEU 66 Ca -0.01 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1c2y h LEU 66 Cb 0.06 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1c2y h LEU 66 CO 0.01 -0.31 -0.13 1.23 0.09 0.00 0.00 178.44 179.32 1c2y h GLY 67 N 0.11 -0.38 2.00 0.83 0.00 0.10 -2.75 103.07 102.98 1c2y h GLY 67 Ca 0.73 0.14 0.00 0.00 0.00 0.00 0.00 47.33 48.20 1c2y h GLY 67 CO -0.75 -0.14 0.00 0.50 0.00 0.00 0.00 176.54 176.15 1c2y h LYS 68 N -0.55 0.00 0.00 4.80 1.57 0.94 -1.14 116.57 122.19 1c2y h LYS 68 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1c2y h LYS 68 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1c2y h LYS 68 CO 0.06 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.81 1c2y n SER 69 N -3.08 0.00 0.00 0.86 3.41 -0.12 -4.80 113.62 109.90 1c2y n SER 69 Ca -0.02 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1c2y n SER 69 Cb 0.15 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 -0.25 0.00 0.11 5.00 0.00 -0.43 -4.74 105.19 104.88 1c2y n GLY 70 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.22 1.61 1.57 -1.80 -3.46 116.57 108.35 1c2y h LYS 71 Ca 0.00 -0.09 -0.55 0.00 -1.87 0.00 0.00 60.65 58.14 1c2y h LYS 71 Cb 0.43 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.69 1c2y h LYS 71 CO 0.00 0.87 -0.61 0.71 -0.57 0.00 0.00 179.45 179.85 1c2y s TYR 72 N -3.18 2.84 -0.13 -1.35 1.51 -1.26 -4.80 117.35 110.97 1c2y s TYR 72 Ca -0.01 -0.18 0.19 0.00 -1.01 0.00 0.00 57.07 56.06 1c2y s TYR 72 Cb 0.11 -1.28 -0.18 0.00 -0.11 0.00 0.00 41.96 40.50 1c2y s TYR 72 CO 0.81 0.58 0.65 0.72 -1.11 0.00 0.00 175.55 177.19 1c2y n HIS 73 N -0.86 0.60 -3.63 2.71 8.25 0.13 -4.94 115.22 117.48 1c2y n HIS 73 Ca -0.07 0.20 -0.13 0.00 -0.26 0.00 0.00 57.72 57.45 1c2y n HIS 73 Cb 0.58 -0.93 -0.07 0.00 1.12 0.00 0.00 29.99 30.69 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 -3.04 -1.81 -0.06 -1.41 0.00 -1.25 -4.18 121.76 110.01 1c2y s ALA 74 Ca -0.05 2.08 0.06 0.00 0.00 0.00 0.00 51.96 54.04 1c2y s ALA 74 Cb 0.09 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 1c2y s ALA 74 CO 0.83 -0.34 -0.24 0.96 0.00 0.00 0.00 175.76 176.97 1c2y s ILE 75 N 0.54 1.98 -0.15 0.00 -0.00 -0.27 -2.49 121.20 120.81 1c2y s ILE 75 Ca -0.01 -1.02 -0.02 0.00 -0.00 0.00 0.00 60.65 59.59 1c2y s ILE 75 Cb -0.05 -1.68 -0.02 0.00 -0.00 0.00 0.00 42.46 40.71 1c2y s ILE 75 CO -0.02 0.55 -0.07 0.54 -0.00 0.00 0.00 174.94 175.93 1c2y s VAL 76 N -0.09 3.54 -0.16 8.37 0.11 0.34 -0.17 120.40 132.34 1c2y s VAL 76 Ca -0.05 -0.48 -0.04 0.00 -2.93 0.00 0.00 61.98 58.48 1c2y s VAL 76 Cb -0.14 -2.53 -0.02 0.00 -1.53 0.00 0.00 36.38 32.15 1c2y s VAL 76 CO 0.04 0.50 -0.04 0.00 -3.33 0.00 0.00 175.10 172.27 1c2y s LEU 78 N 0.52 2.37 -0.05 0.00 1.02 0.13 0.05 118.68 122.71 1c2y s LEU 78 Ca -0.03 -0.54 -0.31 0.00 0.02 0.00 0.00 54.13 53.26 1c2y s LEU 78 Cb -0.14 -1.38 0.13 0.00 0.02 0.00 0.00 46.19 44.82 1c2y s LEU 78 CO 0.03 0.25 1.35 -0.83 0.02 0.00 0.00 176.35 177.17 1c2y s GLY 79 N -1.41 -0.43 -0.18 -3.19 0.00 -1.07 -2.15 107.32 98.90 1c2y s GLY 79 Ca 0.13 0.74 -0.07 0.00 0.00 0.00 0.00 44.72 45.52 1c2y s GLY 79 CO 0.04 0.76 0.39 0.00 0.00 0.00 0.00 173.10 174.28 1c2y s ALA 80 N -2.22 -1.01 -0.30 3.20 0.00 -1.26 -0.27 121.76 119.91 1c2y s ALA 80 Ca 0.16 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.54 1c2y s ALA 80 Cb 0.06 -1.13 0.09 0.00 0.00 0.00 0.00 23.12 22.13 1c2y s ALA 80 CO -0.05 -0.56 0.02 0.54 0.00 0.00 0.00 175.76 175.71 1c2y s VAL 81 N 2.15 1.67 0.09 0.00 0.11 0.34 -4.72 120.40 120.04 1c2y s VAL 81 Ca -0.04 -1.72 -0.26 0.00 -2.93 0.00 0.00 61.98 57.03 1c2y s VAL 81 Cb -0.11 -2.12 -0.06 0.00 -1.53 0.00 0.00 36.38 32.56 1c2y s VAL 81 CO -0.12 -0.44 0.81 0.68 -3.33 0.00 0.00 175.10 172.69 1c2y s VAL 82 N 1.25 4.59 -1.03 2.04 -7.23 -1.26 -3.91 120.40 114.85 1c2y s VAL 82 Ca 0.05 1.73 -0.24 0.00 -1.81 0.00 0.00 61.98 61.71 1c2y s VAL 82 Cb -0.19 -4.16 -0.10 0.00 0.56 0.00 0.00 36.38 32.50 1c2y s VAL 82 CO -0.12 0.40 2.01 -0.75 -0.31 0.00 0.00 175.10 176.33 1c2y s LYS 83 N -0.33 2.24 -0.04 4.82 2.20 0.40 -4.72 119.74 124.31 1c2y s LYS 83 Ca 0.39 -0.59 -0.11 0.00 -0.36 0.00 0.00 55.97 55.30 1c2y s LYS 83 Cb -0.22 -5.10 -0.06 0.00 -1.51 0.00 0.00 37.83 30.94 1c2y s LYS 83 CO 0.25 -4.03 0.51 0.78 -0.36 0.00 0.00 175.35 172.50 1c2y h GLY 84 N 18.93 -0.43 0.00 5.54 0.00 -1.91 -3.41 103.07 121.79 1c2y h GLY 84 Ca 0.13 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1c2y h GLY 84 CO 1.17 -0.15 0.00 1.22 0.00 0.00 0.00 176.54 178.77 1c2y n ASP 85 N -4.71 0.00 -3.94 0.19 8.00 -1.26 -5.12 116.55 109.71 1c2y n ASP 85 Ca -0.05 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.15 1c2y n ASP 85 Cb 0.16 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.49 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 0.22 1.66 -0.97 -3.53 -4.23 -1.26 -4.90 115.64 102.63 1c2y s THR 86 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1c2y s THR 86 Cb 0.00 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.40 1c2y s THR 86 CO 0.00 0.00 1.19 -1.54 -0.54 0.00 0.00 174.62 173.73 1c2y n SER 87 N -4.68 0.02 -0.33 3.99 3.41 -1.26 -1.90 113.62 112.87 1c2y n SER 87 Ca 0.12 0.51 0.20 0.00 -0.26 0.00 0.00 58.87 59.44 1c2y n SER 87 Cb 0.59 -0.51 0.42 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.85 -0.19 7.33 6.17 -1.99 1.24 115.15 128.56 1c2y h HIS 88 Ca 0.00 0.04 0.02 0.00 0.71 0.00 0.00 60.37 61.14 1c2y h HIS 88 Cb 0.09 -0.22 -0.04 0.00 2.52 0.00 0.00 27.41 29.76 1c2y h HIS 88 CO 0.00 -0.12 -0.30 -0.92 0.71 0.00 0.00 177.93 177.30 1c2y h TYR 89 N 0.37 -0.92 -0.29 5.26 3.20 -1.74 0.11 116.97 122.96 1c2y h TYR 89 Ca 0.68 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.63 1c2y h TYR 89 Cb 1.46 0.43 -0.06 0.00 1.54 0.00 0.00 36.73 40.09 1c2y h TYR 89 CO -0.05 -0.27 -0.44 -0.44 -1.64 0.00 0.00 178.16 175.31 1c2y h ASP 90 N -0.24 -1.47 -0.51 -2.11 3.32 0.12 0.25 116.42 115.79 1c2y h ASP 90 Ca 0.03 0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1c2y h ASP 90 Cb 0.33 0.60 -0.06 0.00 0.22 0.00 0.00 39.33 40.42 1c2y h ASP 90 CO -0.31 -0.33 -0.30 0.00 -1.72 0.00 0.00 179.24 176.58 1c2y n ALA 91 N -2.99 -0.33 0.26 3.45 0.00 -0.11 0.43 120.51 121.23 1c2y n ALA 91 Ca -0.03 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.69 1c2y n ALA 91 Cb 0.28 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.28 -1.26 116.25 115.83 1c2y h VAL 92 Ca 0.08 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.86 1c2y h VAL 92 Cb 0.21 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.81 1c2y h VAL 92 CO -0.48 0.00 0.05 0.58 0.02 0.00 0.00 177.57 177.74 1c2y h VAL 93 N -0.85 0.09 0.77 2.57 2.07 0.14 0.55 116.25 121.60 1c2y h VAL 93 Ca -0.06 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1c2y h VAL 93 Cb 0.72 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1c2y h VAL 93 CO -0.02 0.01 -0.37 0.78 0.02 0.00 0.00 177.57 177.99 1c2y h ASN 94 N 0.04 -0.87 -0.65 0.57 2.35 0.39 0.06 115.58 117.46 1c2y h ASN 94 Ca 0.57 0.03 0.14 0.00 -0.55 0.00 0.00 56.30 56.49 1c2y h ASN 94 Cb 1.16 0.23 -0.11 0.00 0.05 0.00 0.00 38.32 39.64 1c2y h ASN 94 CO -0.86 -0.52 0.03 0.28 -1.65 0.00 0.00 177.43 174.71 1c2y h SER 95 N -1.24 -0.24 0.17 5.81 0.02 0.19 0.66 113.55 118.93 1c2y h SER 95 Ca -0.11 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1c2y h SER 95 Cb 0.79 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1c2y h SER 95 CO 0.17 -0.11 -0.23 0.00 -1.14 0.00 0.00 176.83 175.53 1c2y h ALA 96 N 1.59 -0.88 -0.21 3.77 0.00 0.10 0.56 119.26 124.20 1c2y h ALA 96 Ca 0.35 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1c2y h ALA 96 Cb 0.58 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1c2y h ALA 96 CO -0.54 -0.90 -0.52 1.03 0.00 0.00 0.00 179.25 178.32 1c2y h SER 97 N -0.41 -1.66 -0.53 0.00 0.87 0.34 -1.02 113.55 111.14 1c2y h SER 97 Ca -0.02 0.21 0.11 0.00 -1.23 0.00 0.00 61.79 60.85 1c2y h SER 97 Cb 0.37 0.66 -0.10 0.00 -0.44 0.00 0.00 62.40 62.90 1c2y h SER 97 CO -0.06 -0.45 -0.09 -1.28 -0.53 0.00 0.00 176.83 174.42 1c2y h SER 98 N -0.51 -0.41 0.20 6.23 0.87 0.45 -0.73 113.55 119.64 1c2y h SER 98 Ca 0.06 0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1c2y h SER 98 Cb 0.65 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 62.86 1c2y h SER 98 CO -0.47 -0.15 -0.53 1.23 -0.53 0.00 0.00 176.83 176.38 1c2y h GLY 99 N 0.03 -1.19 0.27 5.77 0.00 0.14 0.17 103.07 108.26 1c2y h GLY 99 Ca 0.26 0.64 0.17 0.00 0.00 0.00 0.00 47.33 48.39 1c2y h GLY 99 CO -0.51 -0.29 0.62 -2.08 0.00 0.00 0.00 176.54 174.28 1c2y h VAL 100 N -0.81 0.78 0.22 4.60 2.07 -0.83 0.24 116.25 122.53 1c2y h VAL 100 Ca -0.02 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1c2y h VAL 100 Cb 0.79 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1c2y h VAL 100 CO -0.25 0.15 -0.11 0.25 0.02 0.00 0.00 177.57 177.64 1c2y h LEU 101 N 0.82 -0.25 -0.95 2.57 5.85 -0.07 -1.85 115.31 121.43 1c2y h LEU 101 Ca 0.54 0.01 0.23 0.00 0.84 0.00 0.00 57.88 59.50 1c2y h LEU 101 Cb 0.77 0.06 -0.18 0.00 0.37 0.00 0.00 40.66 41.69 1c2y h LEU 101 CO -0.32 -0.18 -0.08 0.28 -0.34 0.00 0.00 178.44 177.80 1c2y h SER 102 N -0.30 -0.62 0.10 1.25 0.02 0.19 0.15 113.55 114.33 1c2y h SER 102 Ca -0.03 0.27 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1c2y h SER 102 Cb 0.23 0.51 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1c2y h SER 102 CO 0.05 -0.32 -0.38 0.00 -1.14 0.00 0.00 176.83 175.04 1c2y h ALA 103 N 1.94 -0.88 -0.66 3.77 0.00 -0.45 0.36 119.26 123.35 1c2y h ALA 103 Ca 0.52 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.48 1c2y h ALA 103 Cb 0.96 0.76 -0.12 0.00 0.00 0.00 0.00 17.79 19.39 1c2y h ALA 103 CO -0.91 -0.97 -0.08 0.78 0.00 0.00 0.00 179.25 178.06 1c2y h GLY 104 N -0.55 0.59 0.91 0.00 0.00 0.13 0.29 103.07 104.44 1c2y h GLY 104 Ca -0.01 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1c2y h GLY 104 CO -0.20 -0.24 -0.27 1.41 0.00 0.00 0.00 176.54 177.24 1c2y h LEU 105 N 0.05 -0.63 -0.74 3.11 -0.00 -0.51 0.28 115.31 116.87 1c2y h LEU 105 Ca 0.33 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1c2y h LEU 105 Cb 0.54 0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 41.33 1c2y h LEU 105 CO -0.62 -0.38 0.45 0.78 -0.00 0.00 0.00 178.44 178.66 1c2y h ASN 106 N -0.85 0.88 1.54 -0.43 2.35 0.33 -2.31 115.58 117.09 1c2y h ASN 106 Ca -0.08 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 1c2y h ASN 106 Cb 0.61 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1c2y h ASN 106 CO 0.13 0.68 -0.24 0.77 -1.65 0.00 0.00 177.43 177.12 1c2y h SER 107 N 1.01 0.00 -0.12 5.81 4.64 -0.44 -3.46 113.55 120.98 1c2y h SER 107 Ca 0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.53 1c2y h SER 107 Cb -0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1c2y h SER 107 CO -0.05 0.24 -0.05 0.61 -0.87 0.00 0.00 176.83 176.71 1c2y n GLY 108 N 0.91 0.50 3.38 -0.77 0.00 0.94 -4.84 105.19 105.31 1c2y n GLY 108 Ca 0.02 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.77 2.96 0.08 1.61 1.01 -1.01 -5.02 120.40 118.26 1c2y s VAL 109 Ca 0.00 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 1c2y s VAL 109 Cb 0.00 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 34.06 1c2y s VAL 109 CO 0.00 0.54 1.90 -2.65 0.00 0.00 0.00 175.10 174.89 1c2y n PRO 110 N 3.28 2.80 -4.08 2.72 -0.02 -1.26 -4.09 135.00 134.35 1c2y n PRO 110 Ca -0.18 1.02 -0.33 0.00 -2.02 0.00 0.00 63.50 62.00 1c2y n PRO 110 Cb 0.53 -2.94 -0.15 0.00 -0.02 0.00 0.00 33.50 30.91 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 1.19 4.85 -1.18 0.00 1.01 0.76 -4.85 120.40 122.17 1c2y s VAL 112 Ca -0.03 1.91 -0.17 0.00 0.00 0.00 0.00 61.98 63.69 1c2y s VAL 112 Cb -0.17 -4.26 0.11 0.00 0.00 0.00 0.00 36.38 32.06 1c2y s VAL 112 CO -0.08 0.08 1.53 0.12 0.00 0.00 0.00 175.10 176.75 1c2y s PHE 113 N 1.61 3.01 -0.90 5.22 2.19 -1.26 -0.32 117.98 127.54 1c2y s PHE 113 Ca 0.47 -1.64 -0.00 0.00 0.33 0.00 0.00 56.93 56.08 1c2y s PHE 113 Cb -0.19 -4.55 0.33 0.00 -1.31 0.00 0.00 43.02 37.31 1c2y s PHE 113 CO 0.20 -1.66 1.71 0.41 1.83 0.00 0.00 175.22 177.71 1c2y n GLY 114 N 5.22 5.93 3.15 13.12 0.00 0.11 -4.95 105.19 127.78 1c2y n GLY 114 Ca 0.40 -2.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 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 1.78 0.29 1.61 0.11 -1.25 -2.59 120.40 115.77 1c2y s VAL 115 Ca 0.44 -0.85 -0.29 0.00 -2.93 0.00 0.00 61.98 58.35 1c2y s VAL 115 Cb 0.27 -1.57 -0.09 0.00 -1.53 0.00 0.00 36.38 33.46 1c2y s VAL 115 CO -0.20 0.50 1.05 -0.76 -3.33 0.00 0.00 175.10 172.36 1c2y s LEU 116 N 0.51 4.52 -0.32 2.54 1.43 0.63 -4.91 118.68 123.08 1c2y s LEU 116 Ca -0.16 2.15 0.18 0.00 -1.03 0.00 0.00 54.13 55.26 1c2y s LEU 116 Cb -0.17 -3.71 0.47 0.00 0.03 0.00 0.00 46.19 42.81 1c2y s LEU 116 CO 0.06 -0.11 1.02 0.35 0.23 0.00 0.00 176.35 177.90 1c2y n THR 117 N 1.08 1.26 -2.11 5.49 -2.24 -1.26 -0.50 114.28 116.00 1c2y n THR 117 Ca -0.00 -3.25 -0.27 0.00 -2.27 0.00 0.00 64.05 58.25 1c2y n THR 117 Cb 0.46 0.56 0.10 0.00 -2.10 0.00 0.00 70.33 69.35 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 -3.17 0.00 -4.89 0.00 8.00 -1.26 -1.83 116.55 113.40 1c2y n ASP 119 Ca 0.10 0.46 -0.30 0.00 0.71 0.00 0.00 54.79 55.76 1c2y n ASP 119 Cb 0.60 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.93 6.53 0.20 -2.24 2.20 -1.26 -0.45 114.94 116.98 1c2y s ASN 120 Ca 0.00 0.89 -0.14 0.00 -0.94 0.00 0.00 52.86 52.68 1c2y s ASN 120 Cb 0.00 -2.22 0.21 0.00 -2.00 0.00 0.00 41.25 37.24 1c2y s ASN 120 CO 0.00 -0.21 1.65 -0.03 -2.94 0.00 0.00 177.10 175.57 1c2y h MET 121 N 1.84 0.03 -0.56 3.55 1.85 -1.93 -2.42 114.93 117.29 1c2y h MET 121 Ca -0.47 -0.00 0.11 0.00 -0.61 0.00 0.00 59.70 58.73 1c2y h MET 121 Cb 1.18 -0.01 -0.10 0.00 0.43 0.00 0.00 31.60 33.11 1c2y h MET 121 CO 0.66 0.02 -0.09 0.22 -0.40 0.00 0.00 176.91 177.32 1c2y h ASP 122 N 0.03 -0.42 -0.66 1.39 3.58 -1.99 0.55 116.42 118.89 1c2y h ASP 122 Ca 0.27 0.16 0.11 0.00 0.42 0.00 0.00 57.03 57.99 1c2y h ASP 122 Cb 0.42 0.31 -0.08 0.00 1.72 0.00 0.00 39.33 41.70 1c2y h ASP 122 CO -0.55 -0.15 0.26 1.56 -2.88 0.00 0.00 179.24 177.48 1c2y h GLN 123 N 0.04 0.43 0.29 0.28 4.20 -1.84 -1.45 115.11 117.05 1c2y h GLN 123 Ca 0.28 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1c2y h GLN 123 Cb 0.43 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1c2y h GLN 123 CO -0.54 0.28 -0.30 0.00 -0.67 0.00 0.00 178.83 177.61 1c2y h ALA 124 N 1.46 -0.62 -1.08 3.87 0.00 -0.92 -0.64 119.26 121.32 1c2y h ALA 124 Ca 0.34 -0.09 0.36 0.00 0.00 0.00 0.00 54.91 55.52 1c2y h ALA 124 Cb 0.45 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 1c2y h ALA 124 CO -0.33 -0.89 0.64 0.82 0.00 0.00 0.00 179.25 179.49 1c2y h ILE 125 N -0.62 0.23 -0.13 0.00 1.08 -0.08 0.88 117.51 118.86 1c2y h ILE 125 Ca -0.01 -0.08 -0.13 0.00 -0.39 0.00 0.00 64.86 64.25 1c2y h ILE 125 Cb 0.57 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1c2y h ILE 125 CO -0.07 0.04 -0.49 0.78 -0.69 0.00 0.00 178.15 177.73 1c2y h ASN 126 N 0.22 0.38 1.52 1.72 2.35 -0.42 -2.33 115.58 119.02 1c2y h ASN 126 Ca 0.76 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 56.33 1c2y h ASN 126 Cb 1.97 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.24 1c2y h ASN 126 CO -0.56 0.80 0.00 0.03 -1.65 0.00 0.00 177.43 176.05 1c2y h ARG 127 N 0.28 0.00 -2.12 0.81 2.47 0.13 0.12 114.38 116.07 1c2y h ARG 127 Ca 0.01 0.00 -0.70 0.00 -1.26 0.00 0.00 59.98 58.03 1c2y h ARG 127 Cb 0.96 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.05 1c2y h ARG 127 CO 0.08 0.00 1.04 0.00 0.56 0.00 0.00 179.97 181.65 1c2y n ALA 128 N -1.98 6.45 -0.54 0.04 0.00 -0.29 -0.02 120.51 124.18 1c2y n ALA 128 Ca 0.03 -3.94 0.00 0.00 0.00 0.00 0.00 53.44 49.54 1c2y n ALA 128 Cb 0.42 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 0.18 0.88 0.00 0.00 0.00 0.37 -4.84 105.19 101.78 1c2y n GLY 129 Ca 0.52 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.06 2.18 0.00 -0.02 0.00 0.36 -4.86 105.19 100.78 1c2y n GLY 130 Ca 0.00 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 44.09 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 0.51 -0.20 1.61 2.85 -1.25 -1.00 118.16 120.68 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 -1.45 0.20 0.00 -0.65 0.00 0.00 35.03 33.13 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 -0.95 2.36 0.00 0.58 0.00 -0.85 -5.05 120.51 116.59 1c2y n ALA 132 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1c2y n ALA 132 Cb 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 1.20 -0.65 2.61 0.00 0.00 -0.17 -4.67 105.19 103.52 1c2y n GLY 133 Ca 0.17 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 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 2.71 0.25 1.61 3.84 -1.16 0.14 114.94 118.32 1c2y s ASN 134 Ca 0.00 -0.89 -0.04 0.00 0.21 0.00 0.00 52.86 52.14 1c2y s ASN 134 Cb 0.00 -0.14 0.40 0.00 -0.55 0.00 0.00 41.25 40.96 1c2y s ASN 134 CO 0.00 -0.39 1.81 0.50 -2.79 0.00 0.00 177.10 176.23 1c2y h LYS 135 N 8.39 0.79 -0.13 0.43 3.64 -0.75 -1.66 116.57 127.27 1c2y h LYS 135 Ca -0.17 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1c2y h LYS 135 Cb 1.08 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.67 1c2y h LYS 135 CO 0.36 0.52 -0.47 0.78 -2.27 0.00 0.00 179.45 178.38 1c2y h GLY 136 N 0.81 -1.16 0.27 5.01 0.00 -1.80 0.42 103.07 106.61 1c2y h GLY 136 Ca 0.40 0.69 0.06 0.00 0.00 0.00 0.00 47.33 48.48 1c2y h GLY 136 CO -0.25 -0.25 -0.14 0.00 0.00 0.00 0.00 176.54 175.90 1c2y h ALA 137 N -0.46 0.09 -0.53 3.60 0.00 -1.59 -0.71 119.26 119.66 1c2y h ALA 137 Ca 0.03 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1c2y h ALA 137 Cb 0.58 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 1c2y h ALA 137 CO -0.38 -0.54 0.01 0.93 0.00 0.00 0.00 179.25 179.27 1c2y h GLU 138 N -0.10 0.12 -0.36 0.00 5.08 -0.40 0.05 114.58 118.97 1c2y h GLU 138 Ca 0.15 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1c2y h GLU 138 Cb 0.33 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1c2y h GLU 138 CO -0.35 0.08 0.10 0.77 -1.00 0.00 0.00 179.01 178.61 1c2y h SER 139 N 0.13 0.07 0.28 1.42 0.02 0.12 0.14 113.55 115.73 1c2y h SER 139 Ca 0.27 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1c2y h SER 139 Cb 0.42 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1c2y h SER 139 CO -0.44 0.08 -0.36 0.00 -1.14 0.00 0.00 176.83 174.96 1c2y h ALA 140 N 1.25 -0.73 -0.68 3.77 0.00 0.25 0.22 119.26 123.35 1c2y h ALA 140 Ca 0.17 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.12 1c2y h ALA 140 Cb 0.17 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 1c2y h ALA 140 CO -0.20 -0.96 0.01 1.25 0.00 0.00 0.00 179.25 179.36 1c2y h LEU 141 N -0.70 -0.29 -0.63 0.00 7.12 -0.48 0.37 115.31 120.70 1c2y h LEU 141 Ca -0.01 0.17 0.01 0.00 0.13 0.00 0.00 57.88 58.18 1c2y h LEU 141 Cb 0.66 0.30 -0.03 0.00 -0.53 0.00 0.00 40.66 41.05 1c2y h LEU 141 CO -0.11 -0.13 0.42 0.74 -0.13 0.00 0.00 178.44 179.22 1c2y h THR 142 N 0.12 1.16 -0.34 1.05 2.02 0.46 -1.41 112.91 115.97 1c2y h THR 142 Ca 0.36 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 67.32 1c2y h THR 142 Cb 0.61 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.18 1c2y h THR 142 CO -0.58 0.16 -0.17 0.00 0.37 0.00 0.00 175.52 175.29 1c2y h ALA 143 N 1.23 0.08 0.05 6.16 0.00 0.29 0.18 119.26 127.25 1c2y h ALA 143 Ca 0.23 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1c2y h ALA 143 Cb -0.10 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1c2y h ALA 143 CO -0.05 -0.56 -0.23 0.82 0.00 0.00 0.00 179.25 179.24 1c2y h ILE 144 N -0.12 0.00 -0.81 0.00 2.04 -0.45 -0.40 117.51 117.76 1c2y h ILE 144 Ca 0.17 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.23 1c2y h ILE 144 Cb 0.39 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.33 1c2y h ILE 144 CO -0.42 0.00 0.14 -0.08 0.00 0.00 0.00 178.15 177.79 1c2y h GLU 145 N -0.32 0.18 -0.03 2.37 4.81 -0.46 -0.14 114.58 120.98 1c2y h GLU 145 Ca -0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1c2y h GLU 145 Cb 0.32 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1c2y h GLU 145 CO -0.12 0.12 0.02 0.52 -0.73 0.00 0.00 179.01 178.81 1c2y h MET 146 N 0.18 0.05 0.21 1.92 2.86 -0.17 0.25 114.93 120.23 1c2y h MET 146 Ca 0.48 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 1c2y h MET 146 Cb 0.90 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 1c2y h MET 146 CO -0.64 0.14 -0.40 0.00 1.06 0.00 0.00 176.91 177.08 1c2y h ALA 147 N 0.90 -0.96 -0.68 6.32 0.00 0.25 -0.61 119.26 124.47 1c2y h ALA 147 Ca 0.01 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.95 1c2y h ALA 147 Cb 0.11 0.73 -0.13 0.00 0.00 0.00 0.00 17.79 18.50 1c2y h ALA 147 CO -0.00 -1.03 -0.11 1.03 0.00 0.00 0.00 179.25 179.14 1c2y h SER 148 N -0.66 -0.52 -0.65 0.00 0.87 -0.97 0.42 113.55 112.04 1c2y h SER 148 Ca -0.02 0.20 0.13 0.00 -1.23 0.00 0.00 61.79 60.86 1c2y h SER 148 Cb 0.62 0.38 -0.09 0.00 -0.44 0.00 0.00 62.40 62.87 1c2y h SER 148 CO -0.15 -0.20 0.15 0.25 -0.53 0.00 0.00 176.83 176.35 1c2y h LEU 149 N 0.03 0.02 -1.87 2.23 5.85 0.22 0.16 115.31 121.96 1c2y h LEU 149 Ca 0.34 0.12 0.04 0.00 0.84 0.00 0.00 57.88 59.22 1c2y h LEU 149 Cb 0.55 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1c2y h LEU 149 CO -0.67 0.01 0.17 -0.26 -0.34 0.00 0.00 178.44 177.35 1c2y h PHE 150 N 0.28 0.17 -2.80 1.25 -1.00 0.14 0.16 116.94 115.14 1c2y h PHE 150 Ca 0.35 0.00 -0.69 0.00 2.81 0.00 0.00 57.97 60.44 1c2y h PHE 150 Cb 0.54 -0.06 -0.36 0.00 3.61 0.00 0.00 35.95 39.68 1c2y h PHE 150 CO -0.25 0.10 -0.05 0.39 -1.61 0.00 0.00 178.31 176.89 1c2y n GLU 151 N -4.49 3.07 0.00 1.51 4.71 0.04 -0.52 120.64 124.96 1c2y n GLU 151 Ca 0.02 -4.57 0.00 0.00 -0.01 0.00 0.00 57.16 52.60 1c2y n GLU 151 Cb 0.20 -2.38 0.00 0.00 -1.01 0.00 0.00 31.44 28.25 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 1.50 0.00 -0.12 -0.32 -0.00 -1.18 -4.90 115.22 110.21 1c2y n HIS 152 Ca 0.26 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.77 1c2y n HIS 152 Cb 0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.29 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 0.08 0.00 1.57 1.44 0.04 -4.92 115.22 113.42 1c2y n HIS 153 Ca 0.00 0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 1c2y n HIS 153 Cb 0.00 -0.80 0.00 0.00 0.12 0.00 0.00 29.99 29.31 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 -4.35 0.00 -0.57 2.39 7.94 0.32 -5.05 117.00 117.68 1c2y n LEU 154 Ca -0.36 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.61 1c2y n LEU 154 Cb 0.71 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.72 1c2y n LEU 154 CO 0.11 0.00 0.47 2.29 -1.11 0.00 0.00 177.39 179.16