#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ s VAL 5 N 0.00 -0.47 0.57 0.44 0.11 -1.26 -5.05 120.40 114.74 2occ s VAL 5 Ca 0.00 -0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 58.58 2occ s VAL 5 Cb 0.00 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2occ s VAL 5 CO 0.00 -0.32 1.03 -0.69 -3.33 0.00 0.00 175.10 171.79 2occ s VAL 6 N 2.42 4.10 -0.02 2.04 1.01 -1.26 -5.08 120.40 123.61 2occ s VAL 6 Ca 0.10 0.97 0.03 0.00 0.00 0.00 0.00 61.98 63.08 2occ s VAL 6 Cb -0.14 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 2occ s VAL 6 CO -0.26 -0.61 -0.12 -0.54 0.00 0.00 0.00 175.10 173.57 2occ s LYS 7 N -4.16 1.13 0.25 2.72 1.02 -1.26 -5.06 119.74 114.38 2occ s LYS 7 Ca 0.61 -0.42 -0.12 0.00 0.02 0.00 0.00 55.97 56.06 2occ s LYS 7 Cb -0.14 -1.05 0.36 0.00 -0.52 0.00 0.00 37.83 36.48 2occ s LYS 7 CO 0.37 0.21 1.57 0.77 -0.92 0.00 0.00 175.35 177.34 2occ h SER 8 N 6.10 -1.00 0.09 2.83 0.02 -2.05 -0.03 113.55 119.51 2occ h SER 8 Ca -0.33 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2occ h SER 8 Cb 1.17 0.62 0.00 0.00 0.14 0.00 0.00 62.40 64.32 2occ h SER 8 CO 0.49 -0.30 0.00 -1.84 -1.14 0.00 0.00 176.83 174.03 2occ n GLU 9 N -5.56 0.06 -0.59 3.45 0.28 -1.26 -2.56 120.64 114.46 2occ n GLU 9 Ca 0.13 0.25 0.03 0.00 -0.16 0.00 0.00 57.16 57.41 2occ n GLU 9 Cb 0.45 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 32.07 2occ n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2occ n ASP 10 N -1.29 3.99 -0.04 -1.84 8.00 -0.02 -4.45 116.55 120.90 2occ n ASP 10 Ca 0.02 -2.62 0.14 0.00 0.71 0.00 0.00 54.79 53.04 2occ n ASP 10 Cb 0.04 -0.63 0.56 0.00 -0.02 0.00 0.00 41.12 41.07 2occ n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2occ h TYR 11 N 2.42 0.28 -0.00 1.24 -0.00 -1.69 -0.72 116.97 118.50 2occ h TYR 11 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.76 2occ h TYR 11 Cb 1.50 -0.09 0.00 0.00 0.00 0.00 0.00 36.73 38.14 2occ h TYR 11 CO 0.72 0.13 -0.16 0.00 -0.00 0.00 0.00 178.16 178.85 2occ n ALA 12 N -2.55 2.79 -2.74 0.10 0.00 -1.26 -4.86 120.51 111.98 2occ n ALA 12 Ca 0.09 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 2occ n ALA 12 Cb 0.42 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 2occ n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2occ s LEU 13 N -2.79 4.11 0.47 0.00 1.43 -0.28 -5.05 118.68 116.57 2occ s LEU 13 Ca 0.19 0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 53.41 2occ s LEU 13 Cb 0.19 -3.20 -0.08 0.00 0.03 0.00 0.00 46.19 43.14 2occ s LEU 13 CO 0.55 -0.21 1.42 -2.65 0.23 0.00 0.00 176.35 175.69 2occ n PRO 14 N -1.53 2.16 -4.45 1.29 -0.02 -1.26 -5.01 135.00 126.17 2occ n PRO 14 Ca -0.06 0.77 -0.25 0.00 -2.02 0.00 0.00 63.50 61.94 2occ n PRO 14 Cb 0.56 -2.62 -0.11 0.00 -0.02 0.00 0.00 33.50 31.31 2occ n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2occ s SER 15 N -0.54 3.51 0.17 2.55 1.04 -1.26 -4.94 113.70 114.23 2occ s SER 15 Ca 0.63 -0.96 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 2occ s SER 15 Cb -0.45 -0.28 -0.07 0.00 0.10 0.00 0.00 66.02 65.32 2occ s SER 15 CO 0.56 0.07 0.59 -0.47 0.98 0.00 0.00 173.24 174.97 2occ s TYR 16 N -2.17 3.60 -0.20 5.02 5.04 -1.26 -4.31 117.35 123.07 2occ s TYR 16 Ca 0.26 1.12 -0.20 0.00 -2.44 0.00 0.00 57.07 55.80 2occ s TYR 16 Cb -0.06 -2.42 0.06 0.00 0.35 0.00 0.00 41.96 39.89 2occ s TYR 16 CO 0.13 0.39 0.57 0.54 -1.34 0.00 0.00 175.55 175.84 2occ s VAL 17 N -1.51 0.00 -0.35 3.14 0.11 -1.26 -5.09 120.40 115.45 2occ s VAL 17 Ca 0.40 -0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 59.35 2occ s VAL 17 Cb -0.15 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2occ s VAL 17 CO 0.20 -0.01 0.14 -1.81 -3.33 0.00 0.00 175.10 170.29 2occ s ASP 18 N 0.15 5.47 -0.20 3.54 1.01 -1.26 -4.64 116.67 120.73 2occ s ASP 18 Ca -0.01 -1.03 -0.13 0.00 0.71 0.00 0.00 52.55 52.09 2occ s ASP 18 Cb -0.04 -1.93 0.06 0.00 1.01 0.00 0.00 42.92 42.02 2occ s ASP 18 CO 0.01 -0.33 0.51 0.00 0.21 0.00 0.00 175.17 175.57 2occ s ARG 19 N 1.47 0.52 0.53 8.23 1.70 -1.26 -5.06 118.95 125.09 2occ s ARG 19 Ca 0.00 0.90 0.38 0.00 -0.47 0.00 0.00 55.73 56.54 2occ s ARG 19 Cb -0.19 0.08 1.56 0.00 -0.57 0.00 0.00 34.95 35.83 2occ s ARG 19 CO 0.04 -0.14 1.75 0.00 -1.08 0.00 0.00 175.30 175.87 2occ h ARG 20 N 6.75 0.03 -0.61 3.89 3.08 -1.97 -0.37 114.38 125.17 2occ h ARG 20 Ca -0.33 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2occ h ARG 20 Cb 1.19 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2occ h ARG 20 CO 0.24 0.02 0.00 -0.40 -1.07 0.00 0.00 179.97 178.76 2occ n ASP 21 N -4.18 3.51 -2.95 7.04 5.75 -1.26 -4.20 116.55 120.27 2occ n ASP 21 Ca 0.30 -2.14 -0.14 0.00 -0.01 0.00 0.00 54.79 52.79 2occ n ASP 21 Cb 1.39 -0.45 0.02 0.00 -1.03 0.00 0.00 41.12 41.05 2occ n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2occ n TYR 22 N 1.11 -1.68 -0.24 2.11 9.36 -0.15 -5.02 117.16 122.64 2occ n TYR 22 Ca 0.20 -2.77 0.11 0.00 3.32 0.00 0.00 57.90 58.76 2occ n TYR 22 Cb 0.60 0.69 0.38 0.00 -0.63 0.00 0.00 39.34 40.38 2occ n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2occ h PRO 23 N 3.42 0.67 -4.00 2.98 0.13 -1.72 -3.35 132.00 130.12 2occ h PRO 23 Ca -0.02 -0.04 -0.73 0.00 -0.87 0.00 0.00 66.00 64.34 2occ h PRO 23 Cb 1.01 -0.15 -0.31 0.00 0.13 0.00 0.00 31.00 31.68 2occ h PRO 23 CO 0.34 0.44 -0.29 -0.51 -0.23 0.00 0.00 178.00 177.75 2occ s LEU 24 N -9.74 5.76 1.05 1.56 1.43 -1.26 -4.96 118.68 112.52 2occ s LEU 24 Ca -0.10 -2.36 -0.13 0.00 -1.03 0.00 0.00 54.13 50.51 2occ s LEU 24 Cb 0.21 -2.00 0.17 0.00 0.03 0.00 0.00 46.19 44.60 2occ s LEU 24 CO 0.78 -0.57 0.77 -2.65 0.23 0.00 0.00 176.35 174.92 2occ n PRO 25 N 4.28 -1.31 0.11 1.29 -0.02 -1.26 -4.91 135.00 133.18 2occ n PRO 25 Ca 0.01 -0.34 0.12 0.00 -2.02 0.00 0.00 63.50 61.27 2occ n PRO 25 Cb 0.41 -2.10 0.46 0.00 -0.02 0.00 0.00 33.50 32.25 2occ n PRO 25 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2occ n ASP 26 N -3.52 0.66 -3.96 2.55 8.00 -1.26 -4.81 116.55 114.21 2occ n ASP 26 Ca 0.06 0.62 -0.09 0.00 0.71 0.00 0.00 54.79 56.08 2occ n ASP 26 Cb 0.55 -0.77 -0.11 0.00 -0.02 0.00 0.00 41.12 40.77 2occ n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2occ s VAL 27 N -3.20 0.10 0.45 2.53 1.01 -1.26 -4.98 120.40 115.05 2occ s VAL 27 Ca 0.07 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 2occ s VAL 27 Cb 0.11 -0.29 -0.09 0.00 0.00 0.00 0.00 36.38 36.11 2occ s VAL 27 CO 0.47 -0.48 1.02 0.00 0.00 0.00 0.00 175.10 176.11 2occ s ALA 28 N -1.44 2.97 0.19 5.51 0.00 -1.26 -4.76 121.76 122.97 2occ s ALA 28 Ca -0.16 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 2occ s ALA 28 Cb -0.10 -3.23 0.17 0.00 0.00 0.00 0.00 23.12 19.96 2occ s ALA 28 CO -0.01 -0.18 1.79 1.25 0.00 0.00 0.00 175.76 178.62 2occ h HIS 29 N 1.92 0.54 -3.58 0.00 2.76 -0.14 -3.40 115.15 113.25 2occ h HIS 29 Ca -0.49 0.02 -0.66 0.00 -2.20 0.00 0.00 60.37 57.04 2occ h HIS 29 Cb 1.21 -0.16 -0.25 0.00 1.55 0.00 0.00 27.41 29.76 2occ h HIS 29 CO 0.58 0.26 -0.64 0.08 -1.30 0.00 0.00 177.93 176.91 2occ s VAL 30 N -6.12 4.00 -0.12 5.26 1.01 -0.28 0.40 120.40 124.55 2occ s VAL 30 Ca -0.13 -0.43 0.14 0.00 0.00 0.00 0.00 61.98 61.56 2occ s VAL 30 Cb 0.15 -2.93 -0.24 0.00 0.00 0.00 0.00 36.38 33.35 2occ s VAL 30 CO 0.74 0.26 0.35 0.29 0.00 0.00 0.00 175.10 176.74 2occ n LYS 31 N 4.88 0.66 -3.56 2.72 5.02 -1.26 -4.84 118.16 121.78 2occ n LYS 31 Ca -0.16 0.15 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 2occ n LYS 31 Cb 0.50 -1.66 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 2occ n LYS 31 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2occ s ASN 32 N -5.87 5.77 0.16 4.39 0.01 -1.26 -5.08 114.94 113.06 2occ s ASN 32 Ca -0.09 -1.34 -0.17 0.00 -0.71 0.00 0.00 52.86 50.56 2occ s ASN 32 Cb 0.07 -2.04 -0.07 0.00 0.41 0.00 0.00 41.25 39.62 2occ s ASN 32 CO 0.82 -0.52 0.61 -0.76 -1.51 0.00 0.00 177.10 175.74 2occ s LEU 33 N 1.50 4.38 0.72 0.60 1.43 -1.26 -5.10 118.68 120.95 2occ s LEU 33 Ca 0.03 1.22 -0.00 0.00 -1.03 0.00 0.00 54.13 54.34 2occ s LEU 33 Cb -0.22 -3.30 0.13 0.00 0.03 0.00 0.00 46.19 42.83 2occ s LEU 33 CO 0.04 0.11 0.99 -0.94 0.23 0.00 0.00 176.35 176.78 2occ s SER 34 N -1.58 4.37 0.14 2.29 1.04 -1.26 -4.81 113.70 113.89 2occ s SER 34 Ca 0.38 -0.37 -0.23 0.00 0.48 0.00 0.00 55.95 56.20 2occ s SER 34 Cb -0.16 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 2occ s SER 34 CO 0.20 -1.84 1.64 0.00 0.98 0.00 0.00 173.24 174.21 2occ h ALA 35 N -0.50 -0.19 -0.57 5.32 0.00 -1.99 0.57 119.26 121.89 2occ h ALA 35 Ca -0.36 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2occ h ALA 35 Cb 1.27 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2occ h ALA 35 CO 0.40 -0.69 0.36 0.66 0.00 0.00 0.00 179.25 179.98 2occ h SER 36 N -0.29 0.67 -0.18 0.00 4.64 -1.99 -2.14 113.55 114.26 2occ h SER 36 Ca 0.11 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.19 2occ h SER 36 Cb 0.45 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2occ h SER 36 CO -0.32 0.50 -0.71 1.56 -0.87 0.00 0.00 176.83 177.00 2occ h GLN 37 N 0.78 0.80 -0.36 4.77 4.20 -1.77 -1.18 115.11 122.35 2occ h GLN 37 Ca 0.21 -0.62 -0.00 0.00 0.06 0.00 0.00 58.65 58.30 2occ h GLN 37 Cb -0.06 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2occ h GLN 37 CO -0.04 1.23 0.22 0.87 -0.67 0.00 0.00 178.83 180.44 2occ h LYS 38 N 0.55 0.48 -0.13 1.46 1.57 -0.66 0.28 116.57 120.12 2occ h LYS 38 Ca -0.04 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.48 2occ h LYS 38 Cb 1.33 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.55 2occ h LYS 38 CO 0.15 0.33 -0.81 0.00 -0.57 0.00 0.00 179.45 178.55 2occ h ALA 39 N 1.75 0.27 -0.50 3.86 0.00 -1.19 -2.29 119.26 121.17 2occ h ALA 39 Ca 0.13 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2occ h ALA 39 Cb -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2occ h ALA 39 CO -0.03 0.67 0.19 1.25 0.00 0.00 0.00 179.25 181.33 2occ h LEU 40 N 0.51 0.69 -2.29 0.00 6.46 -0.04 -1.13 115.31 119.50 2occ h LEU 40 Ca -0.07 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 2occ h LEU 40 Cb 1.45 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 41.20 2occ h LEU 40 CO 0.17 0.68 -0.00 0.11 -0.62 0.00 0.00 178.44 178.78 2occ h LYS 41 N 0.66 0.00 0.15 1.25 1.79 -0.40 -1.20 116.57 118.83 2occ h LYS 41 Ca 0.16 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.34 2occ h LYS 41 Cb 0.22 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2occ h LYS 41 CO -0.01 0.00 -1.29 1.49 -1.08 0.00 0.00 179.45 178.57 2occ h GLU 42 N 0.00 0.45 0.00 3.15 4.57 -0.66 -3.12 114.58 118.96 2occ h GLU 42 Ca -0.00 -0.69 -0.03 0.00 -1.18 0.00 0.00 59.36 57.46 2occ h GLU 42 Cb 0.01 0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2occ h GLU 42 CO 0.00 1.31 -0.16 0.87 -1.18 0.00 0.00 179.01 179.85 2occ h LYS 43 N 0.16 0.00 0.00 1.92 1.57 -0.10 -2.23 116.57 117.88 2occ h LYS 43 Ca -0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2occ h LYS 43 Cb 1.98 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.29 2occ h LYS 43 CO 0.23 0.16 -0.05 1.49 -0.57 0.00 0.00 179.45 180.71 2occ h GLU 44 N 0.00 0.00 0.00 3.15 4.81 -1.28 -1.85 114.58 119.41 2occ h GLU 44 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2occ h GLU 44 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2occ h GLU 44 CO 0.02 0.05 0.00 1.63 -0.73 0.00 0.00 179.01 179.98 2occ n LYS 45 N -3.44 0.16 -0.69 1.92 5.02 -0.84 -4.78 118.16 115.52 2occ n LYS 45 Ca -0.02 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2occ n LYS 45 Cb 0.18 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 2occ n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2occ n ALA 46 N -1.70 0.00 -1.87 7.82 0.00 -0.70 -5.03 120.51 119.04 2occ n ALA 46 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.07 2occ n ALA 46 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 2occ n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2occ s SER 47 N -1.00 6.66 0.00 0.00 0.15 -1.26 -4.88 113.70 113.38 2occ s SER 47 Ca 0.00 2.67 0.18 0.00 0.70 0.00 0.00 55.95 59.50 2occ s SER 47 Cb 0.00 -2.63 0.77 0.00 -1.71 0.00 0.00 66.02 62.45 2occ s SER 47 CO 0.00 -0.69 1.57 0.79 1.20 0.00 0.00 173.24 176.12 2occ n TRP 48 N 2.18 0.00 0.24 3.44 8.01 -1.26 -2.01 117.44 128.04 2occ n TRP 48 Ca 0.06 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.37 2occ n TRP 48 Cb 0.40 -0.50 0.58 0.00 -2.01 0.00 0.00 31.31 29.79 2occ n TRP 48 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 2occ h SER 49 N 0.00 0.00 1.46 -0.99 0.02 -1.99 -2.85 113.55 109.20 2occ h SER 49 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2occ h SER 49 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2occ h SER 49 CO 0.00 0.15 -0.34 0.28 -1.14 0.00 0.00 176.83 175.79 2occ h SER 50 N 0.00 0.00 -3.84 3.07 0.02 -1.79 -3.46 113.55 107.55 2occ h SER 50 Ca -0.00 -0.04 -0.49 0.00 -0.84 0.00 0.00 61.79 60.42 2occ h SER 50 Cb 0.60 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.15 2occ h SER 50 CO 0.02 0.02 0.44 -0.76 -1.14 0.00 0.00 176.83 175.40 2occ s LEU 51 N -5.30 4.45 0.61 5.07 1.43 -1.08 -5.03 118.68 118.82 2occ s LEU 51 Ca 0.06 2.15 -0.09 0.00 -1.03 0.00 0.00 54.13 55.22 2occ s LEU 51 Cb 0.09 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 2occ s LEU 51 CO 0.69 -0.19 0.96 -0.94 0.23 0.00 0.00 176.35 177.10 2occ s SER 52 N -1.13 5.85 0.26 2.29 1.04 -1.26 -4.86 113.70 115.89 2occ s SER 52 Ca 0.48 1.05 -0.02 0.00 0.48 0.00 0.00 55.95 57.93 2occ s SER 52 Cb -0.28 -2.07 0.42 0.00 0.10 0.00 0.00 66.02 64.19 2occ s SER 52 CO 0.36 -0.99 1.85 0.40 0.98 0.00 0.00 173.24 175.84 2occ h ILE 53 N -0.26 1.01 -0.39 -1.02 2.04 -1.97 0.92 117.51 117.85 2occ h ILE 53 Ca -0.45 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2occ h ILE 53 Cb 1.23 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2occ h ILE 53 CO 0.62 0.19 0.20 0.44 0.00 0.00 0.00 178.15 179.60 2occ h ASP 54 N 1.04 0.47 0.17 1.72 3.32 -1.99 0.86 116.42 122.01 2occ h ASP 54 Ca 0.43 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.28 2occ h ASP 54 Cb 0.27 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2occ h ASP 54 CO -0.20 0.39 -0.66 -0.33 -1.72 0.00 0.00 179.24 176.72 2occ h GLU 55 N 0.54 0.45 -0.31 3.56 5.08 -1.26 -1.43 114.58 121.21 2occ h GLU 55 Ca 0.14 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2occ h GLU 55 Cb 0.03 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2occ h GLU 55 CO -0.02 0.96 -0.10 0.87 -1.00 0.00 0.00 179.01 179.71 2occ h LYS 56 N 0.33 0.62 -0.49 2.33 1.57 0.12 -0.88 116.57 120.16 2occ h LYS 56 Ca -0.02 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 2occ h LYS 56 Cb 1.21 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 2occ h LYS 56 CO 0.12 0.81 0.24 0.28 -0.57 0.00 0.00 179.45 180.33 2occ h VAL 57 N 0.38 1.19 -0.63 0.50 2.07 -0.81 -0.93 116.25 118.02 2occ h VAL 57 Ca 0.08 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2occ h VAL 57 Cb 0.60 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2occ h VAL 57 CO 0.04 0.21 0.29 -0.08 0.02 0.00 0.00 177.57 178.04 2occ h GLU 58 N 0.65 0.90 -0.46 1.57 4.81 -1.09 0.27 114.58 121.23 2occ h GLU 58 Ca 0.17 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2occ h GLU 58 Cb 0.11 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2occ h GLU 58 CO -0.02 0.71 0.16 1.25 -0.73 0.00 0.00 179.01 180.39 2occ h LEU 59 N 0.90 0.65 -0.03 1.64 5.85 -0.54 -2.52 115.31 121.26 2occ h LEU 59 Ca 0.22 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2occ h LEU 59 Cb 0.12 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 2occ h LEU 59 CO -0.03 0.66 0.02 0.22 -0.34 0.00 0.00 178.44 178.97 2occ h TYR 60 N 0.60 0.05 0.00 1.25 3.20 -0.25 -2.60 116.97 119.21 2occ h TYR 60 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2occ h TYR 60 Cb 0.23 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2occ h TYR 60 CO 0.01 0.12 0.00 0.54 -1.64 0.00 0.00 178.16 177.18 2occ n ARG 61 N -5.02 0.31 -0.05 1.82 5.12 -0.01 -1.41 116.66 117.42 2occ n ARG 61 Ca -0.07 0.04 -0.21 0.00 -1.93 0.00 0.00 57.85 55.69 2occ n ARG 61 Cb 0.07 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 29.74 2occ n ARG 61 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2occ n LEU 62 N -1.06 2.70 0.05 0.55 4.32 -0.96 -4.52 117.00 118.07 2occ n LEU 62 Ca 0.08 0.10 -0.20 0.00 -0.02 0.00 0.00 56.01 55.97 2occ n LEU 62 Cb 0.05 -1.03 -0.13 0.00 -1.62 0.00 0.00 43.42 40.69 2occ n LEU 62 CO 0.07 0.85 0.09 0.50 -1.22 0.00 0.00 177.39 177.68 2occ h LYS 63 N -0.04 0.45 -6.64 3.23 1.63 -1.17 -0.70 116.57 113.33 2occ h LYS 63 Ca -0.48 -0.59 -0.65 0.00 -0.85 0.00 0.00 60.65 58.07 2occ h LYS 63 Cb 1.94 0.19 -0.20 0.00 -0.60 0.00 0.00 32.23 33.56 2occ h LYS 63 CO -0.00 1.24 -0.84 -0.06 -3.45 0.00 0.00 179.45 176.33 2occ s PHE 64 N -2.92 2.22 -0.14 1.91 0.08 -0.50 0.21 117.98 118.84 2occ s PHE 64 Ca -0.12 -0.38 -0.16 0.00 0.12 0.00 0.00 56.93 56.38 2occ s PHE 64 Cb 0.03 -1.15 -0.14 0.00 -0.57 0.00 0.00 43.02 41.19 2occ s PHE 64 CO 0.86 0.39 0.33 -0.22 -0.10 0.00 0.00 175.22 176.49 2occ h LYS 65 N 3.57 0.00 -5.93 0.44 3.11 -1.87 -3.39 116.57 112.50 2occ h LYS 65 Ca -0.48 0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 56.84 2occ h LYS 65 Cb 1.19 0.00 -0.21 0.00 -1.00 0.00 0.00 32.23 32.21 2occ h LYS 65 CO 0.44 0.57 -0.81 -1.21 -2.81 0.00 0.00 179.45 175.62 2occ s GLU 66 N -2.03 1.06 0.75 1.90 2.02 -1.26 -5.02 118.70 116.12 2occ s GLU 66 Ca -0.14 -1.13 -0.10 0.00 0.02 0.00 0.00 54.97 53.62 2occ s GLU 66 Cb -0.00 -1.24 0.06 0.00 0.10 0.00 0.00 34.13 33.05 2occ s GLU 66 CO 0.40 0.28 1.10 -1.54 0.02 0.00 0.00 175.26 175.52 2occ s SER 67 N -1.93 4.82 0.24 -0.19 1.04 -1.26 -4.82 113.70 111.60 2occ s SER 67 Ca 0.05 0.75 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 2occ s SER 67 Cb -0.10 -1.37 0.28 0.00 0.10 0.00 0.00 66.02 64.94 2occ s SER 67 CO 0.04 -1.67 1.89 -0.26 0.98 0.00 0.00 173.24 174.22 2occ h PHE 68 N -0.81 1.13 -0.58 5.02 -1.00 -2.01 0.20 116.94 118.90 2occ h PHE 68 Ca -0.45 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.37 2occ h PHE 68 Cb 1.31 -0.38 -0.03 0.00 3.61 0.00 0.00 35.95 40.46 2occ h PHE 68 CO 0.36 0.66 0.38 0.00 -1.61 0.00 0.00 178.31 178.10 2occ h ALA 69 N 1.37 1.62 0.04 2.45 0.00 -1.97 -0.87 119.26 121.89 2occ h ALA 69 Ca 0.36 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 2occ h ALA 69 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2occ h ALA 69 CO -0.11 0.35 -1.02 0.93 0.00 0.00 0.00 179.25 179.39 2occ h GLU 70 N 0.76 0.12 0.00 0.00 5.08 -1.50 -3.25 114.58 115.79 2occ h GLU 70 Ca 0.22 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2occ h GLU 70 Cb -0.05 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2occ h GLU 70 CO -0.05 1.04 -0.45 0.00 -1.00 0.00 0.00 179.01 178.54 2occ h MET 71 N 0.05 0.00 -0.65 2.33 -0.00 -0.04 -3.18 114.93 113.44 2occ h MET 71 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2occ h MET 71 Cb 1.74 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.34 2occ h MET 71 CO 0.15 0.45 0.00 0.09 -0.00 0.00 0.00 176.91 177.60 2occ n ASN 72 N -3.25 4.05 -4.77 -0.10 3.02 -0.43 -4.96 115.26 108.82 2occ n ASN 72 Ca 0.02 -2.47 -0.41 0.00 -0.03 0.00 0.00 54.58 51.69 2occ n ASN 72 Cb 0.69 -0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 39.29 2occ n ASN 72 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2occ s ARG 73 N -1.98 4.22 -0.06 3.52 3.52 -1.20 -5.02 118.95 121.95 2occ s ARG 73 Ca 0.40 2.34 -0.12 0.00 -0.13 0.00 0.00 55.73 58.22 2occ s ARG 73 Cb 0.27 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.62 2occ s ARG 73 CO 0.16 -0.35 0.29 -1.12 -0.81 0.00 0.00 175.30 173.48 2occ s SER 74 N -0.40 6.61 0.41 -2.12 0.01 -1.26 -5.10 113.70 111.86 2occ s SER 74 Ca 0.51 0.73 0.08 0.00 1.31 0.00 0.00 55.95 58.58 2occ s SER 74 Cb -0.42 -2.17 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2occ s SER 74 CO 0.56 0.34 0.43 0.42 0.41 0.00 0.00 173.24 175.40 2occ s THR 75 N -0.95 2.85 -0.33 1.44 -4.23 -1.26 -5.00 115.64 108.16 2occ s THR 75 Ca 0.20 -1.24 0.10 0.00 -1.18 0.00 0.00 61.69 59.57 2occ s THR 75 Cb -0.15 -3.02 0.75 0.00 1.34 0.00 0.00 72.50 71.43 2occ s THR 75 CO 0.09 -0.02 1.80 0.59 -0.54 0.00 0.00 174.62 176.54 2occ n ASN 76 N -1.62 4.95 -0.25 3.99 3.02 -1.26 -4.57 115.26 119.52 2occ n ASN 76 Ca 0.04 -3.17 0.03 0.00 -0.03 0.00 0.00 54.58 51.46 2occ n ASN 76 Cb 0.61 -0.74 0.27 0.00 -0.61 0.00 0.00 39.78 39.30 2occ n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2occ h GLU 77 N 2.82 0.94 -0.52 3.52 4.81 -2.01 -2.48 114.58 121.65 2occ h GLU 77 Ca 0.24 -0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.52 2occ h GLU 77 Cb 2.30 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 31.44 2occ h GLU 77 CO 0.72 0.62 0.36 0.11 -0.73 0.00 0.00 179.01 180.09 2occ h TRP 78 N 0.97 0.23 -0.35 0.92 5.08 -2.00 -0.72 115.95 120.08 2occ h TRP 78 Ca 0.34 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 60.28 2occ h TRP 78 Cb 0.11 -0.08 -0.01 0.00 -3.00 0.00 0.00 29.16 26.18 2occ h TRP 78 CO -0.00 0.11 0.09 0.87 -1.28 0.00 0.00 178.44 178.23 2occ h LYS 79 N 0.22 0.56 -0.52 0.12 1.57 -1.81 0.36 116.57 117.06 2occ h LYS 79 Ca 0.25 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2occ h LYS 79 Cb 0.68 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2occ h LYS 79 CO -0.04 0.60 -0.01 1.15 -0.57 0.00 0.00 179.45 180.58 2occ h THR 80 N 0.42 1.25 0.05 -0.16 2.02 -1.26 -0.40 112.91 114.83 2occ h THR 80 Ca 0.11 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 2occ h THR 80 Cb 0.29 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2occ h THR 80 CO 0.00 0.38 -0.03 0.58 0.37 0.00 0.00 175.52 176.83 2occ h VAL 81 N 0.81 1.19 -0.51 3.16 2.07 -0.85 -0.88 116.25 121.24 2occ h VAL 81 Ca 0.15 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 2occ h VAL 81 Cb 0.50 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2occ h VAL 81 CO 0.02 0.21 0.12 0.58 0.02 0.00 0.00 177.57 178.53 2occ h VAL 82 N -0.45 1.24 -0.20 2.57 2.07 -0.94 -1.54 116.25 119.02 2occ h VAL 82 Ca -0.01 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2occ h VAL 82 Cb 0.40 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2occ h VAL 82 CO 0.01 0.31 0.08 1.23 0.02 0.00 0.00 177.57 179.23 2occ h GLY 83 N 0.71 0.31 1.22 2.17 0.00 -1.07 -1.33 103.07 105.08 2occ h GLY 83 Ca 0.16 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 2occ h GLY 83 CO 0.00 0.16 0.01 0.00 0.00 0.00 0.00 176.54 176.72 2occ h ALA 84 N 0.93 0.98 -0.09 3.60 0.00 -1.13 -1.02 119.26 122.52 2occ h ALA 84 Ca 0.07 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2occ h ALA 84 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2occ h ALA 84 CO -0.01 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.90 2occ h ALA 85 N 1.13 0.10 -0.42 0.00 0.00 -1.07 -0.99 119.26 118.01 2occ h ALA 85 Ca 0.16 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2occ h ALA 85 Cb 0.49 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2occ h ALA 85 CO 0.02 -0.43 0.08 0.52 0.00 0.00 0.00 179.25 179.44 2occ h MET 86 N 0.08 0.64 -0.29 0.00 2.07 -1.10 0.13 114.93 116.46 2occ h MET 86 Ca 0.04 -0.12 -0.03 0.00 -2.07 0.00 0.00 59.70 57.52 2occ h MET 86 Cb 0.02 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.63 2occ h MET 86 CO -0.04 0.60 0.08 0.35 1.07 0.00 0.00 176.91 178.98 2occ h PHE 87 N 0.62 0.48 -0.09 -0.22 3.57 -0.79 0.19 116.94 120.70 2occ h PHE 87 Ca 0.14 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 2occ h PHE 87 Cb 0.28 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2occ h PHE 87 CO 0.01 0.52 -0.49 0.74 -2.23 0.00 0.00 178.31 176.86 2occ h PHE 88 N 0.30 0.29 -0.49 0.41 0.04 -0.43 0.16 116.94 117.21 2occ h PHE 88 Ca 0.09 -0.09 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2occ h PHE 88 Cb 0.27 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2occ h PHE 88 CO 0.01 0.68 -0.08 0.82 -0.60 0.00 0.00 178.31 179.14 2occ h ILE 89 N 0.19 1.26 -0.51 -0.55 2.04 -0.54 -1.98 117.51 117.41 2occ h ILE 89 Ca 0.01 -1.18 -0.09 0.00 1.00 0.00 0.00 64.86 64.60 2occ h ILE 89 Cb 0.94 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2occ h ILE 89 CO 0.08 0.41 -0.03 1.23 0.00 0.00 0.00 178.15 179.84 2occ h GLY 90 N 0.97 0.96 2.00 5.37 0.00 0.13 -0.74 103.07 111.76 2occ h GLY 90 Ca 0.14 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 2occ h GLY 90 CO 0.04 0.63 -0.13 -2.75 0.00 0.00 0.00 176.54 174.33 2occ h PHE 91 N 0.82 0.00 -0.47 5.60 3.57 -0.27 -2.50 116.94 123.69 2occ h PHE 91 Ca 0.15 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2occ h PHE 91 Cb 0.53 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2occ h PHE 91 CO 0.03 0.13 0.05 1.15 -2.23 0.00 0.00 178.31 177.44 2occ h THR 92 N 0.00 1.23 -0.06 4.41 2.02 -0.39 -2.85 112.91 117.27 2occ h THR 92 Ca -0.00 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.31 2occ h THR 92 Cb 0.26 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2occ h THR 92 CO 0.02 0.32 0.06 0.00 0.37 0.00 0.00 175.52 176.29 2occ h ALA 93 N 1.34 1.66 -0.08 6.16 0.00 -1.42 -0.42 119.26 126.51 2occ h ALA 93 Ca 0.15 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2occ h ALA 93 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2occ h ALA 93 CO 0.01 -0.09 -0.57 -0.07 0.00 0.00 0.00 179.25 178.52 2occ h LEU 94 N 0.00 0.28 -0.76 0.00 3.38 -1.62 0.13 115.31 116.72 2occ h LEU 94 Ca 0.03 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2occ h LEU 94 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2occ h LEU 94 CO -0.00 0.79 -0.43 -0.07 0.09 0.00 0.00 178.44 178.82 2occ h LEU 95 N 0.19 0.45 0.10 1.67 3.38 -1.17 -1.24 115.31 118.69 2occ h LEU 95 Ca -0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2occ h LEU 95 Cb 1.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2occ h LEU 95 CO 0.09 0.83 -0.05 -0.07 0.09 0.00 0.00 178.44 179.33 2occ h LEU 96 N 0.35 -0.12 -0.98 1.67 3.38 -1.17 -0.32 115.31 118.13 2occ h LEU 96 Ca 0.03 -0.31 0.15 0.00 0.09 0.00 0.00 57.88 57.83 2occ h LEU 96 Cb 0.90 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 2occ h LEU 96 CO 0.08 0.27 0.59 0.40 0.09 0.00 0.00 178.44 179.87 2occ h ILE 97 N -0.51 0.82 -0.35 1.22 2.04 -0.92 0.12 117.51 119.92 2occ h ILE 97 Ca -0.01 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 2occ h ILE 97 Cb 0.42 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2occ h ILE 97 CO 0.02 0.16 0.00 -0.25 0.00 0.00 0.00 178.15 178.08 2occ h TRP 98 N 0.86 0.68 -0.15 1.37 7.01 -1.00 -2.72 115.95 122.00 2occ h TRP 98 Ca 0.52 -0.12 0.03 0.00 2.11 0.00 0.00 58.89 61.43 2occ h TRP 98 Cb 0.65 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 2occ h TRP 98 CO -0.02 0.72 -0.01 1.49 -2.79 0.00 0.00 178.44 177.84 2occ h GLU 99 N 0.44 0.04 -0.85 2.65 4.81 0.96 -1.43 114.58 121.19 2occ h GLU 99 Ca 0.10 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 2occ h GLU 99 Cb 0.45 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 2occ h GLU 99 CO 0.02 0.02 0.55 -0.22 -0.73 0.00 0.00 179.01 178.65 2occ h LYS 100 N 0.04 0.84 0.11 1.92 1.63 -0.92 0.17 116.57 120.36 2occ h LYS 100 Ca 0.07 -0.05 -0.29 0.00 -0.85 0.00 0.00 60.65 59.53 2occ h LYS 100 Cb 0.09 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 2occ h LYS 100 CO -0.13 0.56 -1.46 1.25 -3.45 0.00 0.00 179.45 176.22 2occ h HIS 101 N 0.87 0.42 0.00 1.91 2.76 -1.15 -3.36 115.15 116.60 2occ h HIS 101 Ca 0.38 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2occ h HIS 101 Cb 0.35 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.29 2occ h HIS 101 CO -0.00 1.33 -0.99 0.66 -1.30 0.00 0.00 177.93 177.63 2occ n TYR 102 N -3.45 0.00 -0.08 5.26 4.01 -0.57 -4.83 117.16 117.50 2occ n TYR 102 Ca -0.14 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.43 2occ n TYR 102 Cb 1.04 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 39.89 2occ n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2occ n VAL 103 N -1.55 0.93 -2.35 -0.72 0.31 -0.03 -5.00 118.33 109.93 2occ n VAL 103 Ca -0.00 -0.25 -0.42 0.00 -0.01 0.00 0.00 64.34 63.65 2occ n VAL 103 Cb 0.16 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.43 2occ n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2occ s TYR 104 N -2.31 3.32 0.00 3.52 2.02 -0.73 -5.04 117.35 118.13 2occ s TYR 104 Ca -0.23 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.63 2occ s TYR 104 Cb 0.09 -3.50 0.00 0.00 -0.40 0.00 0.00 41.96 38.14 2occ s TYR 104 CO 0.31 -1.65 0.00 0.41 -1.57 0.00 0.00 175.55 173.05 2occ n GLY 105 N 3.33 0.22 3.78 0.71 0.00 -1.26 -4.77 105.19 107.20 2occ n GLY 105 Ca 0.10 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 2occ n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2occ s PRO 106 N 0.51 4.61 0.68 1.61 0.04 -1.26 -5.06 135.00 136.13 2occ s PRO 106 Ca 0.00 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 2occ s PRO 106 Cb 0.00 -2.89 -0.00 0.00 0.04 0.00 0.00 34.50 31.64 2occ s PRO 106 CO 0.00 0.33 1.06 0.96 0.04 0.00 0.00 177.00 179.39 2occ s ILE 107 N -1.53 4.06 0.47 0.56 -4.36 -1.26 -4.99 121.20 114.15 2occ s ILE 107 Ca 0.48 0.67 -0.22 0.00 -0.26 0.00 0.00 60.65 61.32 2occ s ILE 107 Cb -0.20 -3.59 -0.10 0.00 1.25 0.00 0.00 42.46 39.82 2occ s ILE 107 CO 0.25 -0.87 0.74 -2.65 0.24 0.00 0.00 174.94 172.64 2occ n PRO 108 N -2.97 0.84 0.07 0.37 -0.02 -1.26 -4.84 135.00 127.19 2occ n PRO 108 Ca 0.07 0.31 0.05 0.00 -2.02 0.00 0.00 63.50 61.91 2occ n PRO 108 Cb 0.55 -1.79 0.27 0.00 -0.02 0.00 0.00 33.50 32.51 2occ n PRO 108 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2occ n HIS 109 N -1.00 0.32 1.73 6.00 1.44 -1.26 -1.98 115.22 120.47 2occ n HIS 109 Ca 0.11 0.16 0.08 0.00 -2.01 0.00 0.00 57.72 56.07 2occ n HIS 109 Cb 0.42 -0.76 0.50 0.00 0.12 0.00 0.00 29.99 30.27 2occ n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2occ n THR 110 N -1.83 0.00 1.00 0.61 -2.24 -1.26 -3.12 114.28 107.44 2occ n THR 110 Ca -0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 2occ n THR 110 Cb 0.03 -0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.82 2occ n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2occ n PHE 111 N -0.81 0.00 -1.70 4.78 3.72 -0.84 -4.30 117.46 118.32 2occ n PHE 111 Ca 0.13 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.19 2occ n PHE 111 Cb 0.06 -0.02 0.06 0.00 -0.94 0.00 0.00 39.48 38.63 2occ n PHE 111 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2occ s GLU 112 N -2.90 2.66 0.24 -1.08 -1.05 -1.18 -4.79 118.70 110.60 2occ s GLU 112 Ca 0.10 1.48 -0.06 0.00 -0.15 0.00 0.00 54.97 56.35 2occ s GLU 112 Cb 0.17 -1.92 0.45 0.00 -0.44 0.00 0.00 34.13 32.38 2occ s GLU 112 CO 0.80 -1.37 1.68 0.93 0.95 0.00 0.00 175.26 178.24 2occ h GLU 113 N -0.00 0.22 0.38 -4.83 5.08 -1.93 -2.23 114.58 111.26 2occ h GLU 113 Ca -0.47 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2occ h GLU 113 Cb 1.26 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2occ h GLU 113 CO 0.53 0.15 -0.50 1.49 -1.00 0.00 0.00 179.01 179.68 2occ h GLU 114 N 0.23 -0.88 -0.44 2.33 4.57 -1.97 -1.66 114.58 116.76 2occ h GLU 114 Ca 0.41 0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.69 2occ h GLU 114 Cb 0.70 0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 2occ h GLU 114 CO -0.53 -0.59 0.20 2.35 -1.18 0.00 0.00 179.01 179.26 2occ h TRP 115 N -0.91 0.36 0.00 0.92 2.91 -1.82 -1.31 115.95 116.10 2occ h TRP 115 Ca -0.04 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.95 2occ h TRP 115 Cb 0.83 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.37 2occ h TRP 115 CO -0.31 0.17 -0.23 -0.39 -1.03 0.00 0.00 178.44 176.65 2occ h VAL 116 N 0.40 0.80 -0.11 2.65 -1.51 -1.34 0.38 116.25 117.52 2occ h VAL 116 Ca 0.20 -0.90 -0.24 0.00 -1.23 0.00 0.00 66.70 64.53 2occ h VAL 116 Cb 0.14 1.55 0.01 0.00 -2.13 0.00 0.00 31.29 30.85 2occ h VAL 116 CO -0.16 0.22 -0.86 0.00 -1.23 0.00 0.00 177.57 175.54 2occ h ALA 117 N 1.77 0.26 -0.03 5.19 0.00 -0.57 -0.48 119.26 125.40 2occ h ALA 117 Ca -0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2occ h ALA 117 Cb 0.53 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2occ h ALA 117 CO 0.03 0.69 -0.03 0.87 0.00 0.00 0.00 179.25 180.81 2occ h LYS 118 N 0.50 0.07 -0.74 0.00 1.79 -0.69 -2.74 116.57 114.77 2occ h LYS 118 Ca -0.08 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.42 2occ h LYS 118 Cb 1.50 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.10 2occ h LYS 118 CO 0.17 0.53 0.48 0.37 -1.08 0.00 0.00 179.45 179.93 2occ h GLN 119 N -0.38 0.76 -0.23 3.15 4.15 -0.30 0.26 115.11 122.51 2occ h GLN 119 Ca 0.01 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.25 2occ h GLN 119 Cb 0.51 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2occ h GLN 119 CO 0.01 0.50 -0.40 1.15 -1.93 0.00 0.00 178.83 178.16 2occ h THR 120 N 0.78 1.30 0.03 2.39 2.02 -1.03 -0.61 112.91 117.79 2occ h THR 120 Ca 0.32 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.93 2occ h THR 120 Cb 0.24 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2occ h THR 120 CO -0.11 0.49 -0.01 0.50 0.37 0.00 0.00 175.52 176.77 2occ h LYS 121 N 0.45 -0.03 -0.95 6.66 3.11 -0.84 0.27 116.57 125.24 2occ h LYS 121 Ca 0.04 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.93 2occ h LYS 121 Cb 0.90 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 32.08 2occ h LYS 121 CO 0.08 0.23 0.61 -0.09 -2.81 0.00 0.00 179.45 177.47 2occ h ARG 122 N -0.30 1.11 -0.44 1.90 2.43 -0.91 0.38 114.38 118.56 2occ h ARG 122 Ca -0.00 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2occ h ARG 122 Cb 0.28 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2occ h ARG 122 CO 0.01 0.74 0.18 0.52 -1.51 0.00 0.00 179.97 179.91 2occ h MET 123 N 1.15 0.65 -0.04 0.20 2.86 -0.91 0.51 114.93 119.35 2occ h MET 123 Ca 0.39 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.86 2occ h MET 123 Cb 0.08 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2occ h MET 123 CO -0.15 0.59 -0.25 -0.07 1.06 0.00 0.00 176.91 178.10 2occ h LEU 124 N 0.57 0.06 -0.22 1.22 3.38 0.73 -1.86 115.31 119.19 2occ h LEU 124 Ca 0.15 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 2occ h LEU 124 Cb 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2occ h LEU 124 CO -0.01 0.31 -0.53 0.44 0.09 0.00 0.00 178.44 178.73 2occ h ASP 125 N 0.06 0.85 -0.03 -0.43 3.32 0.77 -2.81 116.42 118.15 2occ h ASP 125 Ca 0.01 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2occ h ASP 125 Cb 0.47 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2occ h ASP 125 CO 0.03 1.26 0.00 1.15 -1.72 0.00 0.00 179.24 179.97 2occ n MET 126 N -4.10 1.09 -3.60 3.56 0.00 0.07 -4.91 117.12 109.23 2occ n MET 126 Ca -0.06 -0.14 -0.22 0.00 0.00 0.00 0.00 57.70 57.28 2occ n MET 126 Cb 0.62 -1.16 0.07 0.00 0.00 0.00 0.00 33.22 32.75 2occ n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2occ n LYS 127 N -0.51 -6.71 -1.66 3.17 4.01 -1.03 -4.91 118.16 110.53 2occ n LYS 127 Ca 0.07 0.77 -0.44 0.00 -0.51 0.00 0.00 58.31 58.20 2occ n LYS 127 Cb 0.06 -5.72 -0.04 0.00 -0.51 0.00 0.00 35.03 28.83 2occ n LYS 127 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2occ n VAL 128 N -4.56 0.66 -3.47 -0.18 0.31 -0.73 -3.12 118.33 107.25 2occ n VAL 128 Ca -0.13 -0.16 -0.17 0.00 -0.01 0.00 0.00 64.34 63.87 2occ n VAL 128 Cb 0.61 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 2occ n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2occ n ALA 129 N 7.71 -2.67 0.70 3.52 0.00 -1.26 -1.26 120.51 127.25 2occ n ALA 129 Ca 0.22 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.75 2occ n ALA 129 Cb 0.37 -1.28 0.41 0.00 0.00 0.00 0.00 19.45 18.94 2occ n ALA 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2occ n PRO 130 N -1.99 0.21 -0.01 0.00 -0.04 -1.18 -1.50 135.00 130.49 2occ n PRO 130 Ca -0.17 0.15 -0.17 0.00 -0.04 0.00 0.00 63.50 63.27 2occ n PRO 130 Cb 0.61 -1.72 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 2occ n PRO 130 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2occ n ILE 131 N -2.07 1.72 0.00 0.52 5.41 -1.26 -4.15 119.36 119.53 2occ n ILE 131 Ca 0.05 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 63.10 2occ n ILE 131 Cb 0.41 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.87 2occ n ILE 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2occ n GLN 132 N -3.32 0.00 0.01 0.38 6.02 -1.26 -4.88 117.38 114.34 2occ n GLN 132 Ca -0.27 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.60 2occ n GLN 132 Cb 1.05 -0.25 -0.10 0.00 1.02 0.00 0.00 30.24 31.96 2occ n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2occ h GLY 133 N 0.00 -0.09 0.00 1.08 0.00 -1.90 -3.44 103.07 98.72 2occ h GLY 133 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2occ h GLY 133 CO 0.00 -0.03 0.00 0.33 0.00 0.00 0.00 176.54 176.84 2occ n PHE 134 N -4.86 0.00 0.31 5.60 7.35 -0.56 -4.86 117.46 120.44 2occ n PHE 134 Ca -0.08 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.79 2occ n PHE 134 Cb 0.29 0.12 1.00 0.00 0.35 0.00 0.00 39.48 41.24 2occ n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 2occ h SER 135 N 0.00 0.00 0.50 -2.13 0.02 -0.66 -0.68 113.55 110.60 2occ h SER 135 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2occ h SER 135 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2occ h SER 135 CO 0.00 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.71 2occ n ALA 136 N -2.17 1.93 -0.55 3.77 0.00 -1.20 -1.71 120.51 120.58 2occ n ALA 136 Ca -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.42 2occ n ALA 136 Cb 0.13 -1.31 0.28 0.00 0.00 0.00 0.00 19.45 18.55 2occ n ALA 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2occ n LYS 137 N -1.39 3.26 -5.27 0.00 5.02 -0.26 -4.92 118.16 114.59 2occ n LYS 137 Ca 0.07 -2.62 -0.31 0.00 -2.02 0.00 0.00 58.31 53.42 2occ n LYS 137 Cb 0.18 -1.68 -0.16 0.00 -0.02 0.00 0.00 35.03 33.35 2occ n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 2occ s TRP 138 N -1.75 2.40 -0.61 2.13 -0.11 -0.70 -0.57 118.94 119.74 2occ s TRP 138 Ca 0.41 -0.61 -0.20 0.00 1.22 0.00 0.00 56.10 56.93 2occ s TRP 138 Cb 0.27 -1.56 0.10 0.00 -1.50 0.00 0.00 33.47 30.77 2occ s TRP 138 CO 0.19 -0.14 0.76 0.34 -4.62 0.00 0.00 176.95 173.48 2occ s ASP 139 N -0.34 6.19 0.52 5.86 -1.08 0.14 -4.66 116.67 123.30 2occ s ASP 139 Ca 0.02 -1.37 0.20 0.00 -0.52 0.00 0.00 52.55 50.88 2occ s ASP 139 Cb -0.12 -2.32 1.35 0.00 -1.46 0.00 0.00 42.92 40.36 2occ s ASP 139 CO 0.02 -1.17 2.12 1.88 0.52 0.00 0.00 175.17 178.54 2occ h TYR 140 N 9.25 0.00 0.05 -5.34 0.05 -1.91 -0.46 116.97 118.60 2occ h TYR 140 Ca -0.29 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.31 2occ h TYR 140 Cb 1.08 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.84 2occ h TYR 140 CO 0.86 0.07 -0.73 -0.44 -1.05 0.00 0.00 178.16 176.87 2occ h ASP 141 N 0.00 0.55 -0.40 3.88 3.32 -1.94 -3.32 116.42 118.52 2occ h ASP 141 Ca -0.00 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.23 2occ h ASP 141 Cb 0.14 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2occ h ASP 141 CO 0.01 1.31 0.00 0.29 -1.72 0.00 0.00 179.24 179.13 2occ n LYS 142 N -4.15 2.30 -4.12 3.56 5.02 -1.16 -4.96 118.16 114.66 2occ n LYS 142 Ca -0.12 -1.98 -0.29 0.00 -2.02 0.00 0.00 58.31 53.90 2occ n LYS 142 Cb 0.75 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 2occ n LYS 142 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2occ n ASN 143 N 1.17 -0.06 -3.77 4.39 3.02 -0.19 -4.96 115.26 114.86 2occ n ASN 143 Ca 0.19 -1.15 -0.11 0.00 -0.03 0.00 0.00 54.58 53.47 2occ n ASN 143 Cb 0.52 -2.30 -0.07 0.00 -0.61 0.00 0.00 39.78 37.31 2occ n ASN 143 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2occ s GLU 144 N -6.97 0.80 0.30 3.52 -1.05 -1.15 -5.01 118.70 109.14 2occ s GLU 144 Ca 0.04 -0.54 -0.29 0.00 -0.15 0.00 0.00 54.97 54.03 2occ s GLU 144 Cb -0.02 0.34 -0.10 0.00 -0.44 0.00 0.00 34.13 33.91 2occ s GLU 144 CO 0.94 -0.26 1.33 -1.58 0.95 0.00 0.00 175.26 176.65 2occ s TRP 145 N -2.64 3.07 0.38 4.83 0.52 -1.26 0.27 118.94 124.12 2occ s TRP 145 Ca -0.04 1.32 -0.28 0.00 0.02 0.00 0.00 56.10 57.12 2occ s TRP 145 Cb -0.01 -3.70 -0.10 0.00 -1.15 0.00 0.00 33.47 28.52 2occ s TRP 145 CO -0.04 -2.01 1.42 0.15 0.02 0.00 0.00 176.95 176.49 2occ s LYS 146 N -1.34 4.08 0.00 4.98 1.02 0.27 -4.66 119.74 124.09 2occ s LYS 146 Ca 0.52 2.43 0.00 0.00 0.02 0.00 0.00 55.97 58.94 2occ s LYS 146 Cb -0.40 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 2occ s LYS 146 CO 0.49 -0.50 0.00 1.63 -0.92 0.00 0.00 175.35 176.05