#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 -0.43 0.58 0.44 0.11 -1.26 -5.04 120.40 114.79 2occ s VAL 5 Ca 0.00 -0.33 -0.16 0.00 -2.93 0.00 0.00 61.98 58.56 2occ s VAL 5 Cb 0.00 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 2occ s VAL 5 CO 0.00 -0.35 1.04 -0.69 -3.33 0.00 0.00 175.10 171.77 2occ s VAL 6 N 2.40 4.00 -0.03 2.04 1.01 -1.26 -5.08 120.40 123.48 2occ s VAL 6 Ca 0.09 0.94 0.04 0.00 0.00 0.00 0.00 61.98 63.05 2occ s VAL 6 Cb -0.14 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 2occ s VAL 6 CO -0.26 -0.57 -0.13 -0.54 0.00 0.00 0.00 175.10 173.60 2occ s LYS 7 N -4.11 1.37 0.27 2.72 1.02 -1.26 -5.07 119.74 114.68 2occ s LYS 7 Ca 0.62 -0.47 -0.11 0.00 0.02 0.00 0.00 55.97 56.04 2occ s LYS 7 Cb -0.14 -1.23 0.40 0.00 -0.52 0.00 0.00 37.83 36.33 2occ s LYS 7 CO 0.36 0.19 1.55 0.43 -0.92 0.00 0.00 175.35 176.97 2occ n SER 8 N 3.18 -0.44 0.00 2.83 7.64 -1.26 -0.93 113.62 124.64 2occ n SER 8 Ca -0.18 1.72 0.02 0.00 1.01 0.00 0.00 58.87 61.44 2occ n SER 8 Cb 0.54 -0.48 0.07 0.00 -1.01 0.00 0.00 64.21 63.32 2occ n SER 8 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2occ n GLU 9 N -5.58 0.03 -0.44 1.43 0.28 -1.26 -2.45 120.64 112.64 2occ n GLU 9 Ca 0.14 0.34 0.04 0.00 -0.16 0.00 0.00 57.16 57.52 2occ n GLU 9 Cb 0.47 -1.50 0.22 0.00 1.43 0.00 0.00 31.44 32.06 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 -1.38 3.35 0.06 -1.84 8.00 -0.10 -4.40 116.55 120.24 2occ n ASP 10 Ca 0.01 -2.42 0.19 0.00 0.71 0.00 0.00 54.79 53.28 2occ n ASP 10 Cb 0.03 -0.55 0.71 0.00 -0.02 0.00 0.00 41.12 41.29 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 2.22 0.00 -0.01 1.24 -0.00 -1.68 0.29 116.97 119.03 2occ h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2occ h TYR 11 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 2occ h TYR 11 CO 0.55 0.00 -0.20 0.00 -0.00 0.00 0.00 178.16 178.50 2occ n ALA 12 N -2.56 2.95 -2.86 0.10 0.00 -1.26 -4.87 120.51 112.00 2occ n ALA 12 Ca 0.07 -0.33 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 2occ n ALA 12 Cb 0.52 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.53 4.24 0.45 0.00 1.43 0.09 -5.06 118.68 117.30 2occ s LEU 13 Ca 0.25 0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 53.34 2occ s LEU 13 Cb 0.19 -3.03 -0.09 0.00 0.03 0.00 0.00 46.19 43.30 2occ s LEU 13 CO 0.51 -0.08 1.37 -2.65 0.23 0.00 0.00 176.35 175.73 2occ n PRO 14 N -1.15 2.10 -4.42 1.29 -0.02 -1.26 -5.01 135.00 126.53 2occ n PRO 14 Ca -0.07 0.75 -0.26 0.00 -2.02 0.00 0.00 63.50 61.90 2occ n PRO 14 Cb 0.56 -2.55 -0.11 0.00 -0.02 0.00 0.00 33.50 31.38 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 -0.53 3.61 0.18 2.55 1.04 -1.26 -4.94 113.70 114.36 2occ s SER 15 Ca 0.62 -0.88 -0.16 0.00 0.48 0.00 0.00 55.95 56.00 2occ s SER 15 Cb -0.46 -0.34 -0.07 0.00 0.10 0.00 0.00 66.02 65.24 2occ s SER 15 CO 0.57 0.09 0.62 -0.47 0.98 0.00 0.00 173.24 175.03 2occ s TYR 16 N -1.97 3.62 -0.20 5.02 5.04 -1.26 -4.35 117.35 123.25 2occ s TYR 16 Ca 0.25 1.20 -0.21 0.00 -2.44 0.00 0.00 57.07 55.86 2occ s TYR 16 Cb -0.07 -2.47 0.06 0.00 0.35 0.00 0.00 41.96 39.83 2occ s TYR 16 CO 0.12 0.39 0.59 0.54 -1.34 0.00 0.00 175.55 175.86 2occ s VAL 17 N -1.48 0.00 -0.36 3.14 0.11 -1.26 -5.09 120.40 115.46 2occ s VAL 17 Ca 0.40 -0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.36 2occ s VAL 17 Cb -0.16 -0.83 0.05 0.00 -1.53 0.00 0.00 36.38 33.91 2occ s VAL 17 CO 0.20 -0.01 0.15 -1.81 -3.33 0.00 0.00 175.10 170.30 2occ s ASP 18 N 0.12 5.42 -0.21 3.54 1.01 -1.26 -4.63 116.67 120.66 2occ s ASP 18 Ca -0.01 -1.25 -0.14 0.00 0.71 0.00 0.00 52.55 51.86 2occ s ASP 18 Cb -0.04 -1.90 0.06 0.00 1.01 0.00 0.00 42.92 42.05 2occ s ASP 18 CO 0.02 -0.39 0.53 0.00 0.21 0.00 0.00 175.17 175.54 2occ s ARG 19 N 1.41 0.55 0.56 8.23 1.70 -1.26 -5.06 118.95 125.08 2occ s ARG 19 Ca 0.00 0.90 0.34 0.00 -0.47 0.00 0.00 55.73 56.50 2occ s ARG 19 Cb -0.20 0.12 1.47 0.00 -0.57 0.00 0.00 34.95 35.76 2occ s ARG 19 CO 0.03 -0.13 1.76 0.00 -1.08 0.00 0.00 175.30 175.87 2occ h ARG 20 N 6.55 0.00 -0.64 3.89 3.08 -1.97 -1.03 114.38 124.26 2occ h ARG 20 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2occ h ARG 20 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2occ h ARG 20 CO 0.22 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 178.72 2occ n ASP 21 N -3.95 3.76 -2.93 7.04 5.75 -1.26 -4.25 116.55 120.72 2occ n ASP 21 Ca 0.22 -2.18 -0.14 0.00 -0.01 0.00 0.00 54.79 52.68 2occ n ASP 21 Cb 1.18 -0.48 0.02 0.00 -1.03 0.00 0.00 41.12 40.81 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 1.17 -1.80 -0.29 2.11 9.36 -0.39 -5.03 117.16 122.28 2occ n TYR 22 Ca 0.22 -2.70 0.08 0.00 3.32 0.00 0.00 57.90 58.81 2occ n TYR 22 Cb 0.65 0.75 0.30 0.00 -0.63 0.00 0.00 39.34 40.41 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 3.46 0.85 -3.86 2.98 0.13 -1.73 -3.35 132.00 130.48 2occ h PRO 23 Ca -0.03 -0.05 -0.74 0.00 -0.87 0.00 0.00 66.00 64.30 2occ h PRO 23 Cb 1.01 -0.19 -0.30 0.00 0.13 0.00 0.00 31.00 31.65 2occ h PRO 23 CO 0.33 0.56 -0.18 -0.51 -0.23 0.00 0.00 178.00 177.98 2occ s LEU 24 N -9.96 5.98 1.10 1.56 1.43 -1.26 -4.95 118.68 112.58 2occ s LEU 24 Ca -0.11 -2.53 -0.15 0.00 -1.03 0.00 0.00 54.13 50.31 2occ s LEU 24 Cb 0.21 -2.05 0.18 0.00 0.03 0.00 0.00 46.19 44.56 2occ s LEU 24 CO 0.80 -0.54 0.58 -2.65 0.23 0.00 0.00 176.35 174.76 2occ n PRO 25 N 4.07 -1.67 0.10 1.29 -0.02 -1.26 -4.91 135.00 132.60 2occ n PRO 25 Ca 0.06 -0.46 0.12 0.00 -2.02 0.00 0.00 63.50 61.20 2occ n PRO 25 Cb 0.42 -1.98 0.45 0.00 -0.02 0.00 0.00 33.50 32.37 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 -3.22 0.65 -3.94 2.55 8.00 -1.26 -4.83 116.55 114.48 2occ n ASP 26 Ca 0.04 0.59 -0.10 0.00 0.71 0.00 0.00 54.79 56.03 2occ n ASP 26 Cb 0.57 -0.75 -0.12 0.00 -0.02 0.00 0.00 41.12 40.80 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 -3.15 0.08 0.49 2.53 1.01 -1.26 -4.99 120.40 115.11 2occ s VAL 27 Ca 0.09 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 2occ s VAL 27 Cb 0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 36.21 2occ s VAL 27 CO 0.51 -0.37 1.09 0.00 0.00 0.00 0.00 175.10 176.33 2occ s ALA 28 N -1.10 2.84 0.23 5.51 0.00 -1.26 -4.74 121.76 123.24 2occ s ALA 28 Ca -0.12 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 52.50 2occ s ALA 28 Cb -0.07 -3.31 0.23 0.00 0.00 0.00 0.00 23.12 19.96 2occ s ALA 28 CO -0.01 -0.51 1.89 1.25 0.00 0.00 0.00 175.76 178.38 2occ h HIS 29 N 1.59 1.04 -3.51 0.00 2.76 -0.72 -3.41 115.15 112.90 2occ h HIS 29 Ca -0.50 0.03 -0.66 0.00 -2.20 0.00 0.00 60.37 57.04 2occ h HIS 29 Cb 1.24 -0.35 -0.26 0.00 1.55 0.00 0.00 27.41 29.59 2occ h HIS 29 CO 0.54 0.62 -0.68 0.08 -1.30 0.00 0.00 177.93 177.20 2occ s VAL 30 N -6.11 3.69 -0.12 5.26 1.01 -0.50 0.13 120.40 123.75 2occ s VAL 30 Ca -0.13 -0.50 0.16 0.00 0.00 0.00 0.00 61.98 61.51 2occ s VAL 30 Cb 0.17 -2.75 -0.23 0.00 0.00 0.00 0.00 36.38 33.56 2occ s VAL 30 CO 0.79 0.31 0.42 0.29 0.00 0.00 0.00 175.10 176.91 2occ n LYS 31 N 4.83 0.66 -3.57 2.72 5.02 -1.26 -4.85 118.16 121.71 2occ n LYS 31 Ca -0.17 0.13 -0.41 0.00 -2.02 0.00 0.00 58.31 55.84 2occ n LYS 31 Cb 0.50 -1.66 -0.09 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 -5.71 5.71 0.23 4.39 0.01 -1.26 -5.09 114.94 113.23 2occ s ASN 32 Ca -0.07 -1.56 -0.17 0.00 -0.71 0.00 0.00 52.86 50.35 2occ s ASN 32 Cb 0.08 -2.02 -0.08 0.00 0.41 0.00 0.00 41.25 39.64 2occ s ASN 32 CO 0.83 -0.58 0.69 -0.76 -1.51 0.00 0.00 177.10 175.76 2occ s LEU 33 N 1.44 4.26 0.69 0.60 1.43 -1.26 -5.09 118.68 120.75 2occ s LEU 33 Ca 0.04 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 2occ s LEU 33 Cb -0.24 -3.65 0.11 0.00 0.03 0.00 0.00 46.19 42.44 2occ s LEU 33 CO 0.02 -0.02 0.95 -0.94 0.23 0.00 0.00 176.35 176.59 2occ s SER 34 N -1.85 4.53 0.14 2.29 1.04 -1.26 -4.82 113.70 113.77 2occ s SER 34 Ca 0.45 -0.37 -0.23 0.00 0.48 0.00 0.00 55.95 56.29 2occ s SER 34 Cb -0.14 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2occ s SER 34 CO 0.20 -1.73 1.65 0.00 0.98 0.00 0.00 173.24 174.34 2occ h ALA 35 N -0.39 -0.13 -0.73 5.32 0.00 -1.99 0.10 119.26 121.46 2occ h ALA 35 Ca -0.36 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2occ h ALA 35 Cb 1.27 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 2occ h ALA 35 CO 0.42 -0.65 0.48 0.66 0.00 0.00 0.00 179.25 180.16 2occ h SER 36 N -0.24 0.80 -0.17 0.00 4.64 -1.99 -1.75 113.55 114.83 2occ h SER 36 Ca 0.11 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 2occ h SER 36 Cb 0.41 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2occ h SER 36 CO -0.31 0.57 -0.60 1.56 -0.87 0.00 0.00 176.83 177.18 2occ h GLN 37 N 0.94 0.70 -0.39 4.77 4.20 -1.75 -0.58 115.11 123.00 2occ h GLN 37 Ca 0.28 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2occ h GLN 37 Cb -0.04 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2occ h GLN 37 CO -0.07 1.15 0.25 0.87 -0.67 0.00 0.00 178.83 180.36 2occ h LYS 38 N 0.40 0.52 -0.20 1.46 1.57 -0.46 0.35 116.57 120.20 2occ h LYS 38 Ca -0.03 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.55 2occ h LYS 38 Cb 1.23 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2occ h LYS 38 CO 0.13 0.35 -0.52 0.00 -0.57 0.00 0.00 179.45 178.84 2occ h ALA 39 N 1.74 0.33 -0.60 3.86 0.00 -1.10 -1.95 119.26 121.55 2occ h ALA 39 Ca 0.14 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2occ h ALA 39 Cb -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2occ h ALA 39 CO -0.03 0.52 0.30 1.25 0.00 0.00 0.00 179.25 181.30 2occ h LEU 40 N 0.41 0.77 -2.23 0.00 6.46 0.36 0.70 115.31 121.79 2occ h LEU 40 Ca -0.01 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2occ h LEU 40 Cb 1.13 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.87 2occ h LEU 40 CO 0.11 0.67 -0.03 0.11 -0.62 0.00 0.00 178.44 178.68 2occ h LYS 41 N 0.81 0.00 0.11 1.25 1.79 -0.24 -1.36 116.57 118.93 2occ h LYS 41 Ca 0.21 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.40 2occ h LYS 41 Cb 0.09 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.76 2occ h LYS 41 CO -0.03 0.03 -1.20 1.49 -1.08 0.00 0.00 179.45 178.66 2occ h GLU 42 N 0.00 0.44 0.00 3.15 4.57 -0.13 -3.15 114.58 119.47 2occ h GLU 42 Ca -0.00 -0.62 -0.03 0.00 -1.18 0.00 0.00 59.36 57.53 2occ h GLU 42 Cb 0.07 0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2occ h GLU 42 CO 0.00 1.27 -0.15 0.87 -1.18 0.00 0.00 179.01 179.82 2occ h LYS 43 N 0.18 0.00 0.00 1.92 1.57 -0.06 -2.27 116.57 117.91 2occ h LYS 43 Ca -0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2occ h LYS 43 Cb 1.89 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.19 2occ h LYS 43 CO 0.21 0.15 -0.04 1.49 -0.57 0.00 0.00 179.45 180.69 2occ h GLU 44 N 0.00 0.00 0.00 3.15 4.81 -1.31 -1.07 114.58 120.16 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 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2occ h GLU 44 CO 0.02 0.04 0.00 0.87 -0.73 0.00 0.00 179.01 179.21 2occ h LYS 45 N 0.00 0.00 0.00 1.92 1.57 -1.51 -3.45 116.57 115.10 2occ h LYS 45 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2occ h LYS 45 Cb 0.17 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.50 2occ h LYS 45 CO 0.01 0.00 0.03 0.00 -0.57 0.00 0.00 179.45 178.91 2occ n ALA 46 N -1.80 0.03 -1.82 3.86 0.00 -0.41 -5.03 120.51 115.35 2occ n ALA 46 Ca 0.05 -0.43 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 2occ n ALA 46 Cb 0.39 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.91 6.61 0.05 0.00 0.15 -1.26 -4.87 113.70 112.47 2occ s SER 47 Ca 0.15 2.77 0.20 0.00 0.70 0.00 0.00 55.95 59.77 2occ s SER 47 Cb -0.01 -2.64 0.83 0.00 -1.71 0.00 0.00 66.02 62.49 2occ s SER 47 CO 0.10 -0.70 1.63 0.79 1.20 0.00 0.00 173.24 176.26 2occ n TRP 48 N 1.50 0.17 0.24 3.44 8.01 -1.26 -2.22 117.44 127.32 2occ n TRP 48 Ca 0.04 0.06 0.11 0.00 -1.31 0.00 0.00 57.50 56.40 2occ n TRP 48 Cb 0.40 -0.60 0.57 0.00 -2.01 0.00 0.00 31.31 29.67 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 1.61 -0.99 0.02 -1.99 -2.84 113.55 109.36 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 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2occ h SER 49 CO 0.00 0.20 -0.24 0.28 -1.14 0.00 0.00 176.83 175.92 2occ h SER 50 N 0.00 0.00 -3.88 3.07 0.02 -1.83 -3.46 113.55 107.47 2occ h SER 50 Ca -0.00 -0.02 -0.49 0.00 -0.84 0.00 0.00 61.79 60.44 2occ h SER 50 Cb 0.57 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.12 2occ h SER 50 CO 0.03 0.01 0.42 -0.76 -1.14 0.00 0.00 176.83 175.39 2occ s LEU 51 N -5.55 4.34 0.54 5.07 1.43 -1.07 -5.03 118.68 118.41 2occ s LEU 51 Ca 0.06 2.10 -0.07 0.00 -1.03 0.00 0.00 54.13 55.18 2occ s LEU 51 Cb 0.08 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 2occ s LEU 51 CO 0.68 -0.28 0.89 -0.94 0.23 0.00 0.00 176.35 176.93 2occ s SER 52 N -1.30 6.19 0.27 2.29 1.04 -1.26 -4.86 113.70 116.07 2occ s SER 52 Ca 0.51 1.10 -0.00 0.00 0.48 0.00 0.00 55.95 58.04 2occ s SER 52 Cb -0.26 -2.28 0.51 0.00 0.10 0.00 0.00 66.02 64.09 2occ s SER 52 CO 0.32 -0.73 1.84 0.40 0.98 0.00 0.00 173.24 176.05 2occ h ILE 53 N -0.02 0.94 -0.37 -1.02 2.04 -1.97 0.13 117.51 117.25 2occ h ILE 53 Ca -0.46 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 2occ h ILE 53 Cb 1.20 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2occ h ILE 53 CO 0.62 0.18 0.13 0.44 0.00 0.00 0.00 178.15 179.51 2occ h ASP 54 N 0.98 0.47 0.00 1.72 3.32 -1.99 0.11 116.42 121.04 2occ h ASP 54 Ca 0.47 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 57.31 2occ h ASP 54 Cb 0.43 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2occ h ASP 54 CO -0.25 0.45 -0.57 -0.33 -1.72 0.00 0.00 179.24 176.82 2occ h GLU 55 N 0.52 0.59 -0.24 3.56 5.08 -1.20 -1.70 114.58 121.19 2occ h GLU 55 Ca 0.13 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2occ h GLU 55 Cb 0.14 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2occ h GLU 55 CO -0.01 0.99 0.01 0.87 -1.00 0.00 0.00 179.01 179.87 2occ h LYS 56 N 0.45 0.42 -0.64 2.33 1.57 0.14 -0.10 116.57 120.75 2occ h LYS 56 Ca 0.00 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2occ h LYS 56 Cb 1.12 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 2occ h LYS 56 CO 0.11 0.59 0.37 0.28 -0.57 0.00 0.00 179.45 180.23 2occ h VAL 57 N 0.20 1.19 -0.78 0.50 2.07 -0.79 -0.73 116.25 117.91 2occ h VAL 57 Ca 0.07 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2occ h VAL 57 Cb 0.39 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2occ h VAL 57 CO 0.01 0.20 0.33 -0.08 0.02 0.00 0.00 177.57 178.06 2occ h GLU 58 N 0.86 1.15 -0.50 1.57 4.81 -1.10 -0.21 114.58 121.16 2occ h GLU 58 Ca 0.23 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2occ h GLU 58 Cb 0.00 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2occ h GLU 58 CO -0.04 0.91 0.29 1.25 -0.73 0.00 0.00 179.01 180.69 2occ h LEU 59 N 1.13 0.61 0.04 1.64 5.85 -0.22 -2.22 115.31 122.14 2occ h LEU 59 Ca 0.26 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2occ h LEU 59 Cb 0.18 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2occ h LEU 59 CO -0.03 0.51 -0.02 0.22 -0.34 0.00 0.00 178.44 178.78 2occ h TYR 60 N 0.67 -0.06 0.00 1.25 3.20 -0.48 -2.43 116.97 119.13 2occ h TYR 60 Ca 0.18 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2occ h TYR 60 Cb 0.02 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.31 2occ h TYR 60 CO -0.02 0.08 0.00 0.54 -1.64 0.00 0.00 178.16 177.12 2occ n ARG 61 N -5.06 0.21 -0.01 1.82 5.12 -0.15 -1.11 116.66 117.47 2occ n ARG 61 Ca -0.08 0.10 -0.22 0.00 -1.93 0.00 0.00 57.85 55.73 2occ n ARG 61 Cb 0.10 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 29.77 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 -1.15 2.51 0.12 0.55 4.32 -0.86 -4.47 117.00 118.02 2occ n LEU 62 Ca 0.06 0.25 -0.23 0.00 -0.02 0.00 0.00 56.01 56.06 2occ n LEU 62 Cb 0.05 -1.10 -0.15 0.00 -1.62 0.00 0.00 43.42 40.60 2occ n LEU 62 CO 0.06 0.76 -0.14 0.50 -1.22 0.00 0.00 177.39 177.35 2occ h LYS 63 N -0.11 0.50 -6.56 3.23 1.63 -1.08 -1.31 116.57 112.87 2occ h LYS 63 Ca -0.41 -0.82 -0.64 0.00 -0.85 0.00 0.00 60.65 57.93 2occ h LYS 63 Cb 1.92 0.30 -0.19 0.00 -0.60 0.00 0.00 32.23 33.65 2occ h LYS 63 CO 0.04 1.39 -0.83 -0.06 -3.45 0.00 0.00 179.45 176.54 2occ s PHE 64 N -2.61 2.21 -0.13 1.91 0.08 -0.27 -0.49 117.98 118.68 2occ s PHE 64 Ca -0.10 -0.38 -0.10 0.00 0.12 0.00 0.00 56.93 56.47 2occ s PHE 64 Cb 0.03 -1.12 -0.08 0.00 -0.57 0.00 0.00 43.02 41.28 2occ s PHE 64 CO 0.92 0.42 0.15 -0.22 -0.10 0.00 0.00 175.22 176.40 2occ h LYS 65 N 3.42 0.00 -6.11 0.44 3.11 -1.87 -3.39 116.57 112.17 2occ h LYS 65 Ca -0.47 0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 56.82 2occ h LYS 65 Cb 1.20 0.00 -0.22 0.00 -1.00 0.00 0.00 32.23 32.21 2occ h LYS 65 CO 0.46 0.30 -0.83 -1.21 -2.81 0.00 0.00 179.45 175.37 2occ s GLU 66 N -1.89 1.13 0.71 1.90 2.02 -1.26 -5.02 118.70 116.29 2occ s GLU 66 Ca -0.09 -1.12 -0.10 0.00 0.02 0.00 0.00 54.97 53.67 2occ s GLU 66 Cb 0.00 -1.37 0.03 0.00 0.10 0.00 0.00 34.13 32.89 2occ s GLU 66 CO 0.24 0.32 1.07 -1.54 0.02 0.00 0.00 175.26 175.38 2occ s SER 67 N -1.81 5.21 0.27 -0.19 1.04 -1.26 -4.80 113.70 112.16 2occ s SER 67 Ca 0.06 0.92 -0.03 0.00 0.48 0.00 0.00 55.95 57.38 2occ s SER 67 Cb -0.10 -1.67 0.39 0.00 0.10 0.00 0.00 66.02 64.75 2occ s SER 67 CO 0.04 -1.44 1.91 -0.26 0.98 0.00 0.00 173.24 174.47 2occ h PHE 68 N -0.65 1.17 -0.50 5.02 -1.00 -2.01 0.21 116.94 119.18 2occ h PHE 68 Ca -0.45 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.34 2occ h PHE 68 Cb 1.28 -0.39 -0.02 0.00 3.61 0.00 0.00 35.95 40.42 2occ h PHE 68 CO 0.44 0.67 0.26 0.00 -1.61 0.00 0.00 178.31 178.07 2occ h ALA 69 N 1.44 1.51 0.03 2.45 0.00 -1.97 -0.44 119.26 122.28 2occ h ALA 69 Ca 0.39 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 2occ h ALA 69 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2occ h ALA 69 CO -0.12 0.40 -0.97 0.93 0.00 0.00 0.00 179.25 179.49 2occ h GLU 70 N 0.70 0.19 0.00 0.00 5.08 -1.18 -3.25 114.58 116.12 2occ h GLU 70 Ca 0.18 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2occ h GLU 70 Cb 0.05 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2occ h GLU 70 CO -0.03 1.02 -0.43 0.00 -1.00 0.00 0.00 179.01 178.57 2occ h MET 71 N 0.09 0.00 -0.65 2.33 -0.00 0.19 -3.18 114.93 113.71 2occ h MET 71 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2occ h MET 71 Cb 1.63 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.23 2occ h MET 71 CO 0.15 0.43 0.00 0.09 -0.00 0.00 0.00 176.91 177.57 2occ n ASN 72 N -3.26 4.34 -4.77 -0.10 3.02 -0.26 -4.96 115.26 109.26 2occ n ASN 72 Ca 0.02 -2.56 -0.41 0.00 -0.03 0.00 0.00 54.58 51.60 2occ n ASN 72 Cb 0.67 -0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 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 -2.11 4.27 -0.07 3.52 3.52 -1.20 -5.02 118.95 121.86 2occ s ARG 73 Ca 0.42 2.34 -0.11 0.00 -0.13 0.00 0.00 55.73 58.25 2occ s ARG 73 Cb 0.30 -3.03 -0.05 0.00 -1.56 0.00 0.00 34.95 30.60 2occ s ARG 73 CO 0.16 -0.31 0.27 -1.12 -0.81 0.00 0.00 175.30 173.49 2occ s SER 74 N -0.37 6.58 0.42 -2.12 0.01 -1.26 -5.10 113.70 111.86 2occ s SER 74 Ca 0.50 0.69 0.08 0.00 1.31 0.00 0.00 55.95 58.53 2occ s SER 74 Cb -0.42 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 2occ s SER 74 CO 0.57 0.35 0.44 0.42 0.41 0.00 0.00 173.24 175.42 2occ s THR 75 N -0.93 2.77 -0.30 1.44 -4.23 -1.26 -5.00 115.64 108.12 2occ s THR 75 Ca 0.19 -1.23 0.12 0.00 -1.18 0.00 0.00 61.69 59.58 2occ s THR 75 Cb -0.14 -3.00 0.76 0.00 1.34 0.00 0.00 72.50 71.46 2occ s THR 75 CO 0.08 -0.00 1.72 0.59 -0.54 0.00 0.00 174.62 176.48 2occ n ASN 76 N -1.64 5.25 -0.30 3.99 3.02 -1.26 -4.57 115.26 119.74 2occ n ASN 76 Ca 0.05 -3.00 0.05 0.00 -0.03 0.00 0.00 54.58 51.65 2occ n ASN 76 Cb 0.61 -0.70 0.25 0.00 -0.61 0.00 0.00 39.78 39.33 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 3.36 0.96 -0.56 3.52 4.81 -2.01 -2.11 114.58 122.55 2occ h GLU 77 Ca 0.10 -0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.41 2occ h GLU 77 Cb 2.06 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 31.20 2occ h GLU 77 CO 0.57 0.64 0.39 0.11 -0.73 0.00 0.00 179.01 179.99 2occ h TRP 78 N 0.99 0.17 -0.22 0.92 5.08 -1.99 -0.77 115.95 120.13 2occ h TRP 78 Ca 0.40 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.36 2occ h TRP 78 Cb 0.27 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 26.37 2occ h TRP 78 CO -0.00 0.07 0.06 0.87 -1.28 0.00 0.00 178.44 178.16 2occ h LYS 79 N 0.15 0.34 -0.69 0.12 1.57 -1.75 0.11 116.57 116.42 2occ h LYS 79 Ca 0.27 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 2occ h LYS 79 Cb 0.86 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 2occ h LYS 79 CO -0.04 0.45 0.27 1.15 -0.57 0.00 0.00 179.45 180.71 2occ h THR 80 N 0.18 1.24 0.05 -0.16 2.02 -1.26 -0.07 112.91 114.90 2occ h THR 80 Ca 0.07 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 2occ h THR 80 Cb 0.25 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2occ h THR 80 CO -0.00 0.30 -0.02 0.58 0.37 0.00 0.00 175.52 176.75 2occ h VAL 81 N 1.00 1.22 -0.53 3.16 2.07 -0.83 -0.26 116.25 122.08 2occ h VAL 81 Ca 0.23 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 2occ h VAL 81 Cb 0.20 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2occ h VAL 81 CO -0.02 0.22 0.07 0.58 0.02 0.00 0.00 177.57 178.44 2occ h VAL 82 N -0.46 1.26 0.02 2.57 2.07 -0.75 -1.54 116.25 119.42 2occ h VAL 82 Ca -0.01 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 2occ h VAL 82 Cb 0.42 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2occ h VAL 82 CO 0.01 0.35 -0.01 1.23 0.02 0.00 0.00 177.57 179.17 2occ h GLY 83 N 0.78 -0.03 1.15 2.17 0.00 -0.99 -1.09 103.07 105.05 2occ h GLY 83 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 2occ h GLY 83 CO 0.01 -0.01 0.45 0.00 0.00 0.00 0.00 176.54 176.99 2occ h ALA 84 N 0.81 1.27 -0.09 3.60 0.00 -0.99 0.25 119.26 124.11 2occ h ALA 84 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2occ h ALA 84 Cb 0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2occ h ALA 84 CO 0.01 0.60 0.05 0.00 0.00 0.00 0.00 179.25 179.91 2occ h ALA 85 N 1.37 0.11 -0.44 0.00 0.00 -1.09 -0.73 119.26 118.47 2occ h ALA 85 Ca 0.29 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2occ h ALA 85 Cb 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2occ h ALA 85 CO -0.05 -0.38 0.02 0.52 0.00 0.00 0.00 179.25 179.36 2occ h MET 86 N 0.09 0.71 -0.20 0.00 2.07 -0.78 0.16 114.93 116.97 2occ h MET 86 Ca 0.03 -0.17 -0.01 0.00 -2.07 0.00 0.00 59.70 57.49 2occ h MET 86 Cb 0.02 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.65 2occ h MET 86 CO -0.01 0.71 0.10 0.35 1.07 0.00 0.00 176.91 179.13 2occ h PHE 87 N 0.67 0.29 -0.09 -0.22 3.57 -0.61 0.29 116.94 120.84 2occ h PHE 87 Ca 0.14 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 2occ h PHE 87 Cb 0.38 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2occ h PHE 87 CO 0.02 0.30 -0.43 0.74 -2.23 0.00 0.00 178.31 176.71 2occ h PHE 88 N 0.20 0.24 -0.36 0.41 0.04 -0.64 0.19 116.94 117.02 2occ h PHE 88 Ca 0.07 -0.07 -0.12 0.00 2.80 0.00 0.00 57.97 60.66 2occ h PHE 88 Cb 0.12 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2occ h PHE 88 CO -0.03 0.60 -0.24 0.82 -0.60 0.00 0.00 178.31 178.86 2occ h ILE 89 N 0.17 1.27 -0.49 -0.55 2.04 -0.39 -2.27 117.51 117.29 2occ h ILE 89 Ca 0.01 -1.35 -0.11 0.00 1.00 0.00 0.00 64.86 64.41 2occ h ILE 89 Cb 0.83 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2occ h ILE 89 CO 0.06 0.45 -0.13 1.23 0.00 0.00 0.00 178.15 179.76 2occ h GLY 90 N 0.97 1.00 2.00 5.37 0.00 0.40 -2.20 103.07 110.62 2occ h GLY 90 Ca 0.09 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 2occ h GLY 90 CO 0.06 0.74 -0.04 -2.75 0.00 0.00 0.00 176.54 174.55 2occ h PHE 91 N 0.82 0.00 -0.42 5.60 3.57 -0.25 -2.10 116.94 124.16 2occ h PHE 91 Ca 0.13 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2occ h PHE 91 Cb 0.67 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2occ h PHE 91 CO 0.04 0.04 -0.02 1.15 -2.23 0.00 0.00 178.31 177.29 2occ h THR 92 N 0.00 1.23 0.00 4.41 2.02 -0.83 -2.93 112.91 116.82 2occ h THR 92 Ca -0.00 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 2occ h THR 92 Cb 0.08 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2occ h THR 92 CO 0.00 0.33 -0.02 0.00 0.37 0.00 0.00 175.52 176.21 2occ h ALA 93 N 1.33 1.57 -0.14 6.16 0.00 -1.40 -0.96 119.26 125.82 2occ h ALA 93 Ca 0.13 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2occ h ALA 93 Cb 0.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2occ h ALA 93 CO 0.02 0.02 -0.54 -0.07 0.00 0.00 0.00 179.25 178.68 2occ h LEU 94 N 0.00 0.45 -0.85 0.00 3.38 -1.63 0.12 115.31 116.78 2occ h LEU 94 Ca -0.00 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 2occ h LEU 94 Cb 0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2occ h LEU 94 CO 0.00 0.90 -0.21 -0.07 0.09 0.00 0.00 178.44 179.16 2occ h LEU 95 N 0.31 0.62 -0.04 1.67 3.38 -1.28 0.35 115.31 120.33 2occ h LEU 95 Ca 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2occ h LEU 95 Cb 1.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2occ h LEU 95 CO 0.09 0.83 -0.01 -0.07 0.09 0.00 0.00 178.44 179.37 2occ h LEU 96 N 0.55 0.08 -0.89 1.67 3.38 -1.15 -0.03 115.31 118.92 2occ h LEU 96 Ca 0.08 -0.38 0.10 0.00 0.09 0.00 0.00 57.88 57.78 2occ h LEU 96 Cb 0.66 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 2occ h LEU 96 CO 0.05 0.44 0.53 0.40 0.09 0.00 0.00 178.44 179.94 2occ h ILE 97 N -0.28 0.91 -0.26 1.22 2.04 -0.59 -0.11 117.51 120.44 2occ h ILE 97 Ca 0.01 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2occ h ILE 97 Cb 0.40 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2occ h ILE 97 CO 0.00 0.16 0.11 -0.25 0.00 0.00 0.00 178.15 178.17 2occ h TRP 98 N 0.86 0.38 -0.23 1.37 7.01 -0.64 -2.61 115.95 122.10 2occ h TRP 98 Ca 0.43 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.45 2occ h TRP 98 Cb 0.40 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.31 2occ h TRP 98 CO -0.04 0.38 0.01 1.49 -2.79 0.00 0.00 178.44 177.48 2occ h GLU 99 N 0.27 0.08 -0.87 2.65 4.81 0.08 -1.52 114.58 120.07 2occ h GLU 99 Ca 0.09 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 2occ h GLU 99 Cb 0.15 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 2occ h GLU 99 CO -0.01 0.05 0.57 -0.22 -0.73 0.00 0.00 179.01 178.67 2occ h LYS 100 N 0.08 0.89 0.18 1.92 1.63 -0.92 0.09 116.57 120.45 2occ h LYS 100 Ca 0.11 -0.05 -0.32 0.00 -0.85 0.00 0.00 60.65 59.53 2occ h LYS 100 Cb 0.13 -0.20 0.01 0.00 -0.60 0.00 0.00 32.23 31.58 2occ h LYS 100 CO -0.18 0.59 -1.54 1.25 -3.45 0.00 0.00 179.45 176.12 2occ h HIS 101 N 0.92 0.69 0.00 1.91 2.76 -1.10 -3.35 115.15 116.98 2occ h HIS 101 Ca 0.39 -0.51 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 2occ h HIS 101 Cb 0.31 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2occ h HIS 101 CO -0.00 1.51 -1.29 0.66 -1.30 0.00 0.00 177.93 177.51 2occ n TYR 102 N -3.58 0.00 -0.09 5.26 4.01 -0.61 -4.81 117.16 117.34 2occ n TYR 102 Ca -0.18 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.38 2occ n TYR 102 Cb 1.07 -0.19 -0.07 0.00 -0.31 0.00 0.00 39.34 39.84 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 -1.74 1.01 -2.41 -0.72 0.31 -0.10 -4.99 118.33 109.68 2occ n VAL 103 Ca -0.01 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.62 2occ n VAL 103 Cb 0.25 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 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 -2.34 3.44 0.00 3.52 2.02 -0.48 -5.04 117.35 118.47 2occ s TYR 104 Ca -0.25 1.31 0.00 0.00 -0.37 0.00 0.00 57.07 57.76 2occ s TYR 104 Cb 0.09 -3.42 0.00 0.00 -0.40 0.00 0.00 41.96 38.23 2occ s TYR 104 CO 0.34 -1.28 0.00 0.41 -1.57 0.00 0.00 175.55 173.45 2occ n GLY 105 N 3.09 0.30 3.80 0.71 0.00 -1.26 -4.75 105.19 107.08 2occ n GLY 105 Ca 0.08 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 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 0.39 4.43 0.65 1.61 0.04 -1.26 -5.06 135.00 135.80 2occ s PRO 106 Ca 0.00 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 2occ s PRO 106 Cb 0.00 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.83 2occ s PRO 106 CO 0.00 0.24 1.05 0.96 0.04 0.00 0.00 177.00 179.29 2occ s ILE 107 N -1.71 4.18 0.45 0.56 -4.36 -1.26 -5.00 121.20 114.06 2occ s ILE 107 Ca 0.51 0.67 -0.22 0.00 -0.26 0.00 0.00 60.65 61.35 2occ s ILE 107 Cb -0.16 -3.70 -0.11 0.00 1.25 0.00 0.00 42.46 39.74 2occ s ILE 107 CO 0.21 -0.91 0.70 -2.65 0.24 0.00 0.00 174.94 172.54 2occ n PRO 108 N -2.84 0.80 0.00 0.37 -0.02 -1.26 -4.84 135.00 127.21 2occ n PRO 108 Ca 0.06 0.29 0.02 0.00 -2.02 0.00 0.00 63.50 61.85 2occ n PRO 108 Cb 0.55 -1.73 0.08 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.94 0.00 1.97 6.00 1.44 -1.26 -1.92 115.22 120.51 2occ n HIS 109 Ca 0.11 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.96 2occ n HIS 109 Cb 0.41 -0.48 0.85 0.00 0.12 0.00 0.00 29.99 30.90 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 -1.48 0.00 0.90 0.61 -2.24 -1.26 -3.38 114.28 107.44 2occ n THR 110 Ca 0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 2occ n THR 110 Cb 0.04 -0.46 0.05 0.00 -2.10 0.00 0.00 70.33 67.85 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 -0.96 0.05 -1.68 4.78 3.72 -0.81 -4.21 117.46 118.35 2occ n PHE 111 Ca 0.22 0.01 -0.34 0.00 -0.05 0.00 0.00 57.45 57.29 2occ n PHE 111 Cb 0.10 -0.18 0.06 0.00 -0.94 0.00 0.00 39.48 38.51 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 -3.05 2.61 0.27 -1.08 -1.05 -1.22 -4.77 118.70 110.41 2occ s GLU 112 Ca 0.08 1.54 -0.01 0.00 -0.15 0.00 0.00 54.97 56.43 2occ s GLU 112 Cb 0.16 -1.91 0.58 0.00 -0.44 0.00 0.00 34.13 32.52 2occ s GLU 112 CO 0.79 -1.43 1.70 0.93 0.95 0.00 0.00 175.26 178.20 2occ h GLU 113 N 0.01 0.36 0.47 -4.83 5.08 -1.93 -2.11 114.58 111.62 2occ h GLU 113 Ca -0.47 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 2occ h GLU 113 Cb 1.27 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2occ h GLU 113 CO 0.53 0.24 -0.51 1.49 -1.00 0.00 0.00 179.01 179.75 2occ h GLU 114 N 0.37 -0.96 -0.25 2.33 4.57 -1.97 -1.79 114.58 116.89 2occ h GLU 114 Ca 0.48 0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.77 2occ h GLU 114 Cb 0.84 0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.61 2occ h GLU 114 CO -0.50 -0.64 -0.00 2.35 -1.18 0.00 0.00 179.01 179.04 2occ h TRP 115 N -0.99 -0.02 0.00 0.92 2.91 -1.79 -1.25 115.95 115.72 2occ h TRP 115 Ca -0.06 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 2occ h TRP 115 Cb 0.87 0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 29.57 2occ h TRP 115 CO -0.28 -0.04 -0.13 -0.39 -1.03 0.00 0.00 178.44 176.57 2occ h VAL 116 N 0.07 0.83 -0.09 2.65 -1.51 -1.37 0.39 116.25 117.22 2occ h VAL 116 Ca 0.12 -0.48 -0.24 0.00 -1.23 0.00 0.00 66.70 64.88 2occ h VAL 116 Cb 0.16 1.28 0.01 0.00 -2.13 0.00 0.00 31.29 30.61 2occ h VAL 116 CO -0.21 0.12 -0.86 0.00 -1.23 0.00 0.00 177.57 175.40 2occ h ALA 117 N 1.87 0.23 -0.05 5.19 0.00 -0.52 0.08 119.26 126.06 2occ h ALA 117 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2occ h ALA 117 Cb 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2occ h ALA 117 CO 0.02 0.66 -0.05 0.87 0.00 0.00 0.00 179.25 180.75 2occ h LYS 118 N 0.46 0.12 -0.90 0.00 1.79 -0.48 -2.84 116.57 114.72 2occ h LYS 118 Ca -0.08 -0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.42 2occ h LYS 118 Cb 1.50 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.08 2occ h LYS 118 CO 0.17 0.59 0.54 0.37 -1.08 0.00 0.00 179.45 180.04 2occ h GLN 119 N -0.35 0.88 -0.52 3.15 4.15 -0.30 0.13 115.11 122.26 2occ h GLN 119 Ca 0.01 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 2occ h GLN 119 Cb 0.57 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 2occ h GLN 119 CO 0.01 0.58 0.05 1.15 -1.93 0.00 0.00 178.83 178.70 2occ h THR 120 N 0.91 1.24 -0.02 2.39 2.02 -0.95 0.90 112.91 119.39 2occ h THR 120 Ca 0.43 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 2occ h THR 120 Cb 0.36 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2occ h THR 120 CO -0.24 0.34 0.01 0.50 0.37 0.00 0.00 175.52 176.50 2occ h LYS 121 N 0.80 0.04 -0.81 6.66 3.11 -0.92 0.42 116.57 125.86 2occ h LYS 121 Ca 0.16 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.02 2occ h LYS 121 Cb 0.41 -0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.58 2occ h LYS 121 CO 0.01 0.27 0.52 -0.09 -2.81 0.00 0.00 179.45 177.35 2occ h ARG 122 N -0.20 1.00 -0.40 1.90 2.43 -0.47 0.52 114.38 119.17 2occ h ARG 122 Ca 0.01 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2occ h ARG 122 Cb 0.25 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2occ h ARG 122 CO 0.00 0.66 0.24 0.52 -1.51 0.00 0.00 179.97 179.88 2occ h MET 123 N 1.03 0.54 -0.03 0.20 2.86 -0.53 0.11 114.93 119.11 2occ h MET 123 Ca 0.32 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.86 2occ h MET 123 Cb -0.02 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 2occ h MET 123 CO -0.10 0.40 -0.21 -0.07 1.06 0.00 0.00 176.91 177.98 2occ h LEU 124 N 0.53 0.05 -0.23 1.22 3.38 0.85 -1.93 115.31 119.17 2occ h LEU 124 Ca 0.14 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 2occ h LEU 124 Cb -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.74 2occ h LEU 124 CO -0.03 0.26 -0.68 0.44 0.09 0.00 0.00 178.44 178.53 2occ h ASP 125 N 0.05 0.94 -0.08 -0.43 3.32 0.15 -2.93 116.42 117.44 2occ h ASP 125 Ca 0.01 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2occ h ASP 125 Cb 0.40 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2occ h ASP 125 CO 0.03 1.37 0.00 1.15 -1.72 0.00 0.00 179.24 180.07 2occ n MET 126 N -3.96 1.23 -3.56 3.56 0.00 0.24 -4.92 117.12 109.71 2occ n MET 126 Ca -0.06 -0.35 -0.21 0.00 0.00 0.00 0.00 57.70 57.08 2occ n MET 126 Cb 0.70 -1.21 0.08 0.00 0.00 0.00 0.00 33.22 32.79 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 -0.34 -6.99 -1.64 3.17 4.01 -0.93 -4.90 118.16 110.54 2occ n LYS 127 Ca 0.09 0.80 -0.44 0.00 -0.51 0.00 0.00 58.31 58.25 2occ n LYS 127 Cb 0.12 -5.79 -0.04 0.00 -0.51 0.00 0.00 35.03 28.80 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 0.58 -3.38 -0.18 0.31 -0.77 -3.16 118.33 107.17 2occ n VAL 128 Ca -0.14 -0.23 -0.12 0.00 -0.01 0.00 0.00 64.34 63.84 2occ n VAL 128 Cb 0.61 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 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 8.60 -2.65 0.79 3.52 0.00 -1.26 -1.40 120.51 128.10 2occ n ALA 129 Ca 0.25 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.76 2occ n ALA 129 Cb 0.38 -1.28 0.43 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.02 0.15 -0.02 0.00 -0.04 -1.19 -1.56 135.00 130.32 2occ n PRO 130 Ca -0.14 0.10 -0.16 0.00 -0.04 0.00 0.00 63.50 63.27 2occ n PRO 130 Cb 0.59 -1.65 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.90 1.68 0.00 0.52 5.41 -1.26 -4.20 119.36 119.61 2occ n ILE 131 Ca 0.06 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 63.10 2occ n ILE 131 Cb 0.39 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 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 -3.27 0.00 -0.01 0.38 6.02 -1.26 -4.88 117.38 114.36 2occ n GLN 132 Ca -0.28 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.59 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 -0.05 0.00 1.08 0.00 -1.90 -3.44 103.07 98.76 2occ h GLY 133 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2occ h GLY 133 CO 0.00 -0.02 0.00 0.33 0.00 0.00 0.00 176.54 176.85 2occ n PHE 134 N -4.81 0.00 0.31 5.60 7.35 -0.60 -4.87 117.46 120.44 2occ n PHE 134 Ca -0.09 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.80 2occ n PHE 134 Cb 0.31 0.07 1.04 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 0.56 -2.13 0.02 -0.67 -0.37 113.55 110.96 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 1.90 -0.60 3.77 0.00 -1.19 -1.84 120.51 120.37 2occ n ALA 136 Ca -0.03 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.43 2occ n ALA 136 Cb 0.12 -1.30 0.30 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.44 3.43 -5.17 0.00 5.02 -0.15 -4.91 118.16 114.95 2occ n LYS 137 Ca 0.06 -2.72 -0.30 0.00 -2.02 0.00 0.00 58.31 53.33 2occ n LYS 137 Cb 0.20 -1.76 -0.16 0.00 -0.02 0.00 0.00 35.03 33.29 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 -1.85 2.20 -0.59 2.13 -0.11 -0.77 -0.21 118.94 119.73 2occ s TRP 138 Ca 0.44 -0.56 -0.19 0.00 1.22 0.00 0.00 56.10 57.01 2occ s TRP 138 Cb 0.29 -1.44 0.10 0.00 -1.50 0.00 0.00 33.47 30.92 2occ s TRP 138 CO 0.20 -0.14 0.72 0.34 -4.62 0.00 0.00 176.95 173.45 2occ s ASP 139 N -0.29 6.18 0.51 5.86 -1.08 0.19 -4.65 116.67 123.40 2occ s ASP 139 Ca 0.01 -1.38 0.21 0.00 -0.52 0.00 0.00 52.55 50.87 2occ s ASP 139 Cb -0.12 -2.31 1.34 0.00 -1.46 0.00 0.00 42.92 40.38 2occ s ASP 139 CO 0.02 -1.13 2.10 1.88 0.52 0.00 0.00 175.17 178.56 2occ h TYR 140 N 9.20 0.00 0.04 -5.34 0.05 -1.91 -0.34 116.97 118.67 2occ h TYR 140 Ca -0.29 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.31 2occ h TYR 140 Cb 1.09 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.84 2occ h TYR 140 CO 0.84 0.10 -0.71 -0.44 -1.05 0.00 0.00 178.16 176.90 2occ h ASP 141 N 0.00 0.55 -0.35 3.88 3.32 -1.93 -3.32 116.42 118.56 2occ h ASP 141 Ca -0.00 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.24 2occ h ASP 141 Cb 0.20 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2occ h ASP 141 CO 0.01 1.30 0.00 0.29 -1.72 0.00 0.00 179.24 179.12 2occ n LYS 142 N -4.16 2.24 -4.12 3.56 5.02 -1.16 -4.96 118.16 114.58 2occ n LYS 142 Ca -0.11 -1.89 -0.28 0.00 -2.02 0.00 0.00 58.31 54.01 2occ n LYS 142 Cb 0.74 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 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 1.09 0.22 -3.79 4.39 3.02 -0.15 -4.96 115.26 115.09 2occ n ASN 143 Ca 0.18 -1.14 -0.11 0.00 -0.03 0.00 0.00 54.58 53.48 2occ n ASN 143 Cb 0.50 -2.36 -0.08 0.00 -0.61 0.00 0.00 39.78 37.24 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 -6.95 0.77 0.31 3.52 -1.05 -1.13 -5.01 118.70 109.17 2occ s GLU 144 Ca 0.01 -0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 53.98 2occ s GLU 144 Cb -0.00 0.33 -0.10 0.00 -0.44 0.00 0.00 34.13 33.91 2occ s GLU 144 CO 0.94 -0.24 1.32 -1.58 0.95 0.00 0.00 175.26 176.65 2occ s TRP 145 N -2.60 3.07 0.37 4.83 0.52 -1.26 0.56 118.94 124.43 2occ s TRP 145 Ca -0.05 1.36 -0.28 0.00 0.02 0.00 0.00 56.10 57.16 2occ s TRP 145 Cb -0.01 -3.68 -0.10 0.00 -1.15 0.00 0.00 33.47 28.53 2occ s TRP 145 CO -0.04 -1.93 1.42 0.15 0.02 0.00 0.00 176.95 176.57 2occ s LYS 146 N -1.52 4.12 0.00 4.98 1.02 0.70 -4.65 119.74 124.39 2occ s LYS 146 Ca 0.50 2.42 0.00 0.00 0.02 0.00 0.00 55.97 58.92 2occ s LYS 146 Cb -0.40 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2occ s LYS 146 CO 0.51 -0.46 0.00 1.63 -0.92 0.00 0.00 175.35 176.10