#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpt h ASP 4 N 0.00 0.60 0.27 -2.24 1.82 -2.05 -1.42 116.42 113.41 3cpt h ASP 4 Ca 0.00 -0.68 -0.11 0.00 -0.39 0.00 0.00 57.03 55.85 3cpt h ASP 4 Cb 0.00 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 3cpt h ASP 4 CO 0.00 1.19 -0.44 0.25 -1.61 0.00 0.00 179.24 178.64 3cpt h LEU 5 N 0.06 0.22 -0.28 2.28 5.85 -2.05 -1.35 115.31 120.04 3cpt h LEU 5 Ca -0.05 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 3cpt h LEU 5 Cb 1.22 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3cpt h LEU 5 CO 0.11 0.64 0.05 0.50 -0.34 0.00 0.00 178.44 179.40 3cpt h LYS 6 N 0.17 0.46 -0.51 1.25 3.64 -1.99 -1.70 116.57 117.90 3cpt h LYS 6 Ca 0.01 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 3cpt h LYS 6 Cb 0.85 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 3cpt h LYS 6 CO 0.07 0.57 0.00 -0.09 -2.27 0.00 0.00 179.45 177.73 3cpt h ARG 7 N 0.28 0.85 -0.24 1.90 2.43 -1.04 -1.61 114.38 116.95 3cpt h ARG 7 Ca 0.09 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3cpt h ARG 7 Cb 0.33 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3cpt h ARG 7 CO 0.00 0.85 0.08 0.35 -1.51 0.00 0.00 179.97 179.74 3cpt h PHE 8 N 0.79 0.14 -0.72 2.20 3.57 -1.07 -0.10 116.94 121.75 3cpt h PHE 8 Ca 0.15 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3cpt h PHE 8 Cb 0.47 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3cpt h PHE 8 CO 0.03 0.06 0.41 -0.07 -2.23 0.00 0.00 178.31 176.51 3cpt h LEU 9 N 0.19 0.88 -0.90 0.59 3.38 -1.03 -1.90 115.31 116.51 3cpt h LEU 9 Ca 0.11 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3cpt h LEU 9 Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3cpt h LEU 9 CO -0.11 0.71 0.56 0.22 0.09 0.00 0.00 178.44 179.90 3cpt h TYR 10 N 0.99 1.17 0.00 1.13 3.20 -0.77 -0.57 116.97 122.12 3cpt h TYR 10 Ca 0.26 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3cpt h TYR 10 Cb 0.00 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 37.89 3cpt h TYR 10 CO -0.01 0.77 0.00 1.63 -1.64 0.00 0.00 178.16 178.91 3cpt n LYS 11 N -4.41 0.08 0.16 1.82 5.02 -0.10 -2.08 118.16 118.65 3cpt n LYS 11 Ca 0.10 0.31 0.12 0.00 -2.02 0.00 0.00 58.31 56.82 3cpt n LYS 11 Cb 0.05 -1.65 0.14 0.00 -0.02 0.00 0.00 35.03 33.55 3cpt n LYS 11 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3cpt h LYS 12 N 0.00 0.00 -0.57 1.97 1.79 -0.32 -3.39 116.57 116.05 3cpt h LYS 12 Ca 0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 3cpt h LYS 12 Cb 0.31 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.85 3cpt h LYS 12 CO 0.00 0.00 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.16 3cpt h LEU 13 N 0.00 -0.53 0.00 2.94 3.38 -1.29 -1.59 115.31 118.22 3cpt h LEU 13 Ca 0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3cpt h LEU 13 Cb 0.95 0.35 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3cpt h LEU 13 CO 0.00 -0.19 0.00 -2.65 0.09 0.00 0.00 178.44 175.69 3cpt n PRO 14 N -5.40 0.01 0.12 1.13 -0.02 -1.26 -2.57 135.00 127.01 3cpt n PRO 14 Ca 0.06 0.28 0.12 0.00 -2.02 0.00 0.00 63.50 61.95 3cpt n PRO 14 Cb 0.30 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.74 3cpt n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cpt n SER 15 N -1.48 0.68 -3.99 2.55 3.41 -0.60 -4.34 113.62 109.85 3cpt n SER 15 Ca 0.03 0.63 -0.30 0.00 -0.26 0.00 0.00 58.87 58.97 3cpt n SER 15 Cb 0.14 -0.79 -0.16 0.00 -0.26 0.00 0.00 64.21 63.14 3cpt n SER 15 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3cpt s VAL 16 N -3.24 1.60 0.15 -3.33 1.01 -1.06 -5.10 120.40 110.44 3cpt s VAL 16 Ca 0.06 -0.97 -0.33 0.00 0.00 0.00 0.00 61.98 60.74 3cpt s VAL 16 Cb 0.10 -1.68 -0.13 0.00 0.00 0.00 0.00 36.38 34.67 3cpt s VAL 16 CO 0.45 0.17 1.63 1.21 0.00 0.00 0.00 175.10 178.57 3cpt n GLU 17 N 4.70 2.29 -0.60 2.72 2.13 -1.26 -1.82 120.64 128.80 3cpt n GLU 17 Ca -0.15 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.50 3cpt n GLU 17 Cb 0.47 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.56 3cpt n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cpt n GLY 18 N 3.61 0.77 3.68 8.31 0.00 -1.26 -4.53 105.19 115.77 3cpt n GLY 18 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3cpt n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cpt s LEU 19 N 0.00 4.22 -0.06 0.99 2.96 -0.75 0.45 118.68 126.48 3cpt s LEU 19 Ca 0.00 1.32 0.12 0.00 -0.22 0.00 0.00 54.13 55.35 3cpt s LEU 19 Cb 0.00 -3.36 -0.18 0.00 0.50 0.00 0.00 46.19 43.16 3cpt s LEU 19 CO 0.00 -0.40 0.18 1.41 -1.32 0.00 0.00 176.35 176.23 3cpt n HIS 20 N 5.02 0.00 -3.58 5.38 8.25 0.43 -4.77 115.22 125.95 3cpt n HIS 20 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 3cpt n HIS 20 Cb 0.49 -0.42 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 3cpt n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cpt s ALA 21 N -2.64 -1.90 -0.09 -1.41 0.00 -0.87 -1.19 121.76 113.67 3cpt s ALA 21 Ca -0.05 1.60 0.01 0.00 0.00 0.00 0.00 51.96 53.51 3cpt s ALA 21 Cb 0.06 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.50 3cpt s ALA 21 CO 0.52 -0.31 -0.08 0.42 0.00 0.00 0.00 175.76 176.30 3cpt s ILE 22 N -0.82 0.97 -0.13 0.00 1.01 -0.41 -0.73 121.20 121.09 3cpt s ILE 22 Ca -0.03 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.33 3cpt s ILE 22 Cb -0.01 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.51 3cpt s ILE 22 CO 0.02 0.34 -0.14 -0.69 0.00 0.00 0.00 174.94 174.47 3cpt s VAL 23 N 1.31 1.50 -0.29 2.92 1.01 0.50 -1.54 120.40 125.81 3cpt s VAL 23 Ca -0.03 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 3cpt s VAL 23 Cb -0.14 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3cpt s VAL 23 CO -0.03 0.44 0.13 -0.69 0.00 0.00 0.00 175.10 174.95 3cpt s VAL 24 N 1.28 4.51 0.32 2.92 1.01 0.06 -0.65 120.40 129.85 3cpt s VAL 24 Ca -0.00 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3cpt s VAL 24 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3cpt s VAL 24 CO -0.06 0.14 0.13 -0.94 0.00 0.00 0.00 175.10 174.36 3cpt s SER 25 N 1.61 1.84 0.85 3.32 1.04 0.16 0.52 113.70 123.04 3cpt s SER 25 Ca 0.05 -1.53 -0.06 0.00 0.48 0.00 0.00 55.95 54.89 3cpt s SER 25 Cb -0.17 0.31 0.11 0.00 0.10 0.00 0.00 66.02 66.38 3cpt s SER 25 CO 0.06 -0.83 0.69 -0.90 0.98 0.00 0.00 173.24 173.24 3cpt n ASP 26 N -0.90 0.32 0.16 7.02 5.68 -0.10 -1.15 116.55 127.59 3cpt n ASP 26 Ca -0.01 -1.41 0.12 0.00 -0.50 0.00 0.00 54.79 52.99 3cpt n ASP 26 Cb 0.65 -0.51 0.56 0.00 -1.14 0.00 0.00 41.12 40.69 3cpt n ASP 26 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3cpt h ARG 27 N 0.00 0.00 -0.06 0.11 3.08 -1.90 -1.18 114.38 114.43 3cpt h ARG 27 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3cpt h ARG 27 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3cpt h ARG 27 CO 0.18 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.83 3cpt n ASP 28 N -2.32 1.36 0.00 7.04 10.43 -1.26 -4.60 116.55 127.19 3cpt n ASP 28 Ca 0.01 -1.52 0.00 0.00 2.57 0.00 0.00 54.79 55.85 3cpt n ASP 28 Cb 0.16 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.09 3cpt n ASP 28 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3cpt n GLY 29 N 1.13 0.66 3.64 0.44 0.00 -0.45 -4.38 105.19 106.23 3cpt n GLY 29 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3cpt n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cpt s VAL 30 N -2.54 4.33 0.10 1.61 1.01 -1.26 -3.85 120.40 119.80 3cpt s VAL 30 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 3cpt s VAL 30 Cb 0.00 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 3cpt s VAL 30 CO 0.00 -0.47 1.11 -2.16 0.00 0.00 0.00 175.10 173.59 3cpt s PRO 31 N 3.88 4.53 -0.13 2.72 0.04 -1.26 -0.92 135.00 143.86 3cpt s PRO 31 Ca 0.51 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.08 3cpt s PRO 31 Cb -0.15 -3.34 -0.25 0.00 0.04 0.00 0.00 34.50 30.80 3cpt s PRO 31 CO 0.19 -0.07 0.42 0.28 0.04 0.00 0.00 177.00 177.86 3cpt h VAL 32 N 4.22 0.86 -3.57 -0.36 2.07 -0.25 -3.47 116.25 115.76 3cpt h VAL 32 Ca -0.43 -2.33 -0.35 0.00 0.82 0.00 0.00 66.70 64.41 3cpt h VAL 32 Cb 1.21 2.54 -0.33 0.00 -1.52 0.00 0.00 31.29 33.19 3cpt h VAL 32 CO 0.76 0.69 -0.75 -0.63 0.02 0.00 0.00 177.57 177.66 3cpt s ILE 33 N -2.48 0.29 -0.09 4.57 1.01 -0.90 -5.02 121.20 118.57 3cpt s ILE 33 Ca -0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 3cpt s ILE 33 Cb 0.05 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 42.22 3cpt s ILE 33 CO 0.73 0.15 -0.01 -0.75 0.00 0.00 0.00 174.94 175.07 3cpt s LYS 34 N 0.75 0.75 -0.03 2.79 2.20 -1.26 -0.76 119.74 124.18 3cpt s LYS 34 Ca -0.08 -0.01 0.04 0.00 -0.36 0.00 0.00 55.97 55.55 3cpt s LYS 34 Cb -0.11 -1.21 -0.00 0.00 -1.51 0.00 0.00 37.83 35.00 3cpt s LYS 34 CO -0.01 -0.34 -0.14 0.14 -0.36 0.00 0.00 175.35 174.64 3cpt s VAL 35 N 1.92 1.17 -0.14 4.02 -7.23 -0.59 -5.03 120.40 114.51 3cpt s VAL 35 Ca 0.04 -0.58 -0.21 0.00 -1.81 0.00 0.00 61.98 59.42 3cpt s VAL 35 Cb -0.13 -1.01 0.05 0.00 0.56 0.00 0.00 36.38 35.85 3cpt s VAL 35 CO -0.06 0.34 0.55 0.00 -0.31 0.00 0.00 175.10 175.62 3cpt s ALA 36 N 0.06 -1.37 0.52 1.32 0.00 -1.26 -1.29 121.76 119.73 3cpt s ALA 36 Ca -0.03 1.31 0.05 0.00 0.00 0.00 0.00 51.96 53.30 3cpt s ALA 36 Cb -0.10 -0.55 0.04 0.00 0.00 0.00 0.00 23.12 22.52 3cpt s ALA 36 CO 0.01 -0.29 0.72 0.54 0.00 0.00 0.00 175.76 176.74 3cpt s ASN 37 N -0.31 5.30 0.00 0.00 2.20 -0.33 -4.99 114.94 116.82 3cpt s ASN 37 Ca -0.05 -0.38 0.18 0.00 -0.94 0.00 0.00 52.86 51.68 3cpt s ASN 37 Cb -0.03 -0.47 1.01 0.00 -2.00 0.00 0.00 41.25 39.76 3cpt s ASN 37 CO 0.03 -1.10 1.52 -0.90 -2.94 0.00 0.00 177.10 173.72 3cpt n ASP 38 N -2.17 0.00 0.20 3.54 5.68 -1.26 -1.94 116.55 120.59 3cpt n ASP 38 Ca 0.10 -0.29 0.12 0.00 -0.50 0.00 0.00 54.79 54.23 3cpt n ASP 38 Cb 0.60 -0.14 0.19 0.00 -1.14 0.00 0.00 41.12 40.63 3cpt n ASP 38 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3cpt h ASN 39 N 0.00 0.00 -2.85 -1.12 2.35 -1.94 -3.46 115.58 108.56 3cpt h ASN 39 Ca 0.00 -0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 3cpt h ASN 39 Cb 0.08 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.47 3cpt h ASN 39 CO 0.00 0.00 0.87 0.00 -1.65 0.00 0.00 177.43 176.65 3cpt s ALA 40 N -3.21 3.63 0.15 -0.83 0.00 -0.82 -4.94 121.76 115.75 3cpt s ALA 40 Ca 0.07 1.08 -0.33 0.00 0.00 0.00 0.00 51.96 52.78 3cpt s ALA 40 Cb 0.06 -3.62 -0.13 0.00 0.00 0.00 0.00 23.12 19.44 3cpt s ALA 40 CO 0.67 -0.90 1.69 -2.30 0.00 0.00 0.00 175.76 174.92 3cpt n PRO 41 N 5.01 2.45 -0.32 0.00 -0.02 -1.26 -4.86 135.00 135.99 3cpt n PRO 41 Ca 0.14 0.89 -0.00 0.00 -2.02 0.00 0.00 63.50 62.50 3cpt n PRO 41 Cb 0.42 -2.71 0.13 0.00 -0.02 0.00 0.00 33.50 31.32 3cpt n PRO 41 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3cpt h GLU 42 N 6.90 1.04 0.00 -0.52 5.08 -1.95 -1.86 114.58 123.27 3cpt h GLU 42 Ca -0.45 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 3cpt h GLU 42 Cb 1.23 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3cpt h GLU 42 CO 0.92 0.69 -0.07 1.12 -1.00 0.00 0.00 179.01 180.67 3cpt h HIS 43 N 1.07 0.00 0.00 4.33 2.07 -2.00 -2.67 115.15 117.95 3cpt h HIS 43 Ca 0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.89 3cpt h HIS 43 Cb 0.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.06 3cpt h HIS 43 CO -0.02 0.07 0.00 0.00 -3.07 0.00 0.00 177.93 174.91 3cpt n ALA 44 N -2.47 2.47 1.12 6.11 0.00 -0.70 -2.55 120.51 124.48 3cpt n ALA 44 Ca -0.03 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.39 3cpt n ALA 44 Cb 0.15 -1.48 0.19 0.00 0.00 0.00 0.00 19.45 18.30 3cpt n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cpt n LEU 45 N -1.27 1.42 -4.78 0.00 4.77 -1.00 -4.68 117.00 111.46 3cpt n LEU 45 Ca 0.14 -0.47 -0.38 0.00 -0.03 0.00 0.00 56.01 55.28 3cpt n LEU 45 Cb 0.23 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3cpt n LEU 45 CO 0.22 0.27 0.62 -0.13 -1.33 0.00 0.00 177.39 177.04 3cpt s ARG 46 N -2.54 4.61 0.23 3.23 0.52 -1.06 -4.90 118.95 119.05 3cpt s ARG 46 Ca 0.20 1.31 -0.08 0.00 -0.52 0.00 0.00 55.73 56.65 3cpt s ARG 46 Cb 0.19 -2.93 0.39 0.00 0.52 0.00 0.00 34.95 33.11 3cpt s ARG 46 CO 0.57 0.36 1.65 -1.35 0.02 0.00 0.00 175.30 176.55 3cpt h PRO 47 N 3.46 0.13 -0.67 3.54 0.11 -1.85 -0.74 132.00 135.98 3cpt h PRO 47 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3cpt h PRO 47 Cb 1.19 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3cpt h PRO 47 CO 0.66 0.09 0.32 0.78 -0.21 0.00 0.00 178.00 179.64 3cpt h GLY 48 N 0.14 1.03 0.71 -0.55 0.00 -1.87 0.10 103.07 102.63 3cpt h GLY 48 Ca 0.38 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3cpt h GLY 48 CO -0.59 0.49 -0.20 -2.75 0.00 0.00 0.00 176.54 173.48 3cpt h PHE 49 N 0.93 -0.53 -0.70 5.60 3.57 -1.56 -2.78 116.94 121.47 3cpt h PHE 49 Ca 0.23 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3cpt h PHE 49 Cb 0.12 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3cpt h PHE 49 CO 0.00 -0.21 0.35 -0.07 -2.23 0.00 0.00 178.31 176.15 3cpt h LEU 50 N -0.87 0.89 -1.66 0.59 3.38 -1.11 -2.59 115.31 113.94 3cpt h LEU 50 Ca -0.06 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3cpt h LEU 50 Cb 0.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3cpt h LEU 50 CO 0.10 0.75 -0.17 0.77 0.09 0.00 0.00 178.44 179.97 3cpt h SER 51 N 0.99 0.00 -0.79 -0.43 4.64 -0.79 -3.03 113.55 114.14 3cpt h SER 51 Ca 0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 3cpt h SER 51 Cb 0.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 3cpt h SER 51 CO -0.03 0.17 0.40 0.74 -0.87 0.00 0.00 176.83 177.24 3cpt h THR 52 N 0.00 1.24 -0.66 2.95 2.02 -1.16 -1.28 112.91 116.02 3cpt h THR 52 Ca -0.00 -0.65 -0.07 0.00 0.77 0.00 0.00 66.41 66.46 3cpt h THR 52 Cb 0.46 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3cpt h THR 52 CO 0.02 0.28 0.13 -0.26 0.37 0.00 0.00 175.52 176.06 3cpt h PHE 53 N 1.12 1.13 -0.25 3.16 0.04 -1.64 -0.74 116.94 119.75 3cpt h PHE 53 Ca 0.28 -0.14 -0.16 0.00 2.80 0.00 0.00 57.97 60.75 3cpt h PHE 53 Cb 0.08 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 3cpt h PHE 53 CO 0.01 0.93 -0.49 0.00 -0.60 0.00 0.00 178.31 178.17 3cpt h ALA 54 N 1.13 0.66 -0.41 2.45 0.00 -1.52 -1.00 119.26 120.57 3cpt h ALA 54 Ca 0.21 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3cpt h ALA 54 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3cpt h ALA 54 CO 0.01 0.68 -0.14 1.25 0.00 0.00 0.00 179.25 181.04 3cpt h LEU 55 N 0.54 0.84 -0.33 0.00 5.85 -1.13 -1.70 115.31 119.38 3cpt h LEU 55 Ca 0.03 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.39 3cpt h LEU 55 Cb 1.04 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3cpt h LEU 55 CO 0.10 1.03 0.16 0.00 -0.34 0.00 0.00 178.44 179.38 3cpt h ALA 56 N 0.84 0.39 -0.03 1.25 0.00 -0.89 -0.15 119.26 120.67 3cpt h ALA 56 Ca 0.10 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3cpt h ALA 56 Cb 0.68 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3cpt h ALA 56 CO 0.05 -0.22 -0.47 1.79 0.00 0.00 0.00 179.25 180.40 3cpt h THR 57 N 0.33 1.34 -0.20 0.00 1.35 -1.13 -0.49 112.91 114.11 3cpt h THR 57 Ca 0.14 -1.64 -0.03 0.00 -0.55 0.00 0.00 66.41 64.32 3cpt h THR 57 Cb 0.05 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 3cpt h THR 57 CO -0.10 0.48 -0.01 -0.78 -0.25 0.00 0.00 175.52 174.86 3cpt h ASP 58 N 0.06 0.35 -0.20 5.36 3.58 -0.89 -1.64 116.42 123.05 3cpt h ASP 58 Ca 0.00 -0.32 -0.08 0.00 0.42 0.00 0.00 57.03 57.05 3cpt h ASP 58 Cb 0.86 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 3cpt h ASP 58 CO 0.06 0.59 -0.12 1.56 -2.88 0.00 0.00 179.24 178.45 3cpt h GLN 59 N 0.10 0.58 -0.42 0.28 1.08 -0.87 -2.24 115.11 113.62 3cpt h GLN 59 Ca 0.05 -0.17 0.03 0.00 -1.45 0.00 0.00 58.65 57.11 3cpt h GLN 59 Cb 0.41 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 3cpt h GLN 59 CO 0.01 0.69 0.22 0.78 -0.95 0.00 0.00 178.83 179.58 3cpt h GLY 60 N 0.95 0.58 1.08 3.46 0.00 -0.85 0.32 103.07 108.61 3cpt h GLY 60 Ca 0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 3cpt h GLY 60 CO 0.03 0.12 0.21 1.76 0.00 0.00 0.00 176.54 178.66 3cpt h SER 61 N 0.45 1.08 0.08 0.19 0.02 -0.97 -1.40 113.55 113.00 3cpt h SER 61 Ca 0.18 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 3cpt h SER 61 Cb 0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3cpt h SER 61 CO -0.11 1.01 -0.20 0.11 -1.14 0.00 0.00 176.83 176.50 3cpt h LYS 62 N 1.10 0.23 0.00 3.45 1.57 -0.81 -2.03 116.57 120.07 3cpt h LYS 62 Ca 0.23 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3cpt h LYS 62 Cb 0.33 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3cpt h LYS 62 CO -0.00 0.43 0.00 -0.07 -0.57 0.00 0.00 179.45 179.23 3cpt h LEU 63 N 0.21 0.00 0.00 2.94 3.38 -0.46 -3.46 115.31 117.91 3cpt h LEU 63 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3cpt h LEU 63 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3cpt h LEU 63 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3cpt n GLY 64 N 0.53 0.81 3.76 0.83 0.00 -0.76 -5.08 105.19 105.27 3cpt n GLY 64 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3cpt n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cpt s LEU 65 N 0.00 3.84 1.15 0.99 1.43 -0.57 -4.96 118.68 120.55 3cpt s LEU 65 Ca 0.00 2.46 -0.17 0.00 -1.03 0.00 0.00 54.13 55.39 3cpt s LEU 65 Cb 0.00 -4.39 0.26 0.00 0.03 0.00 0.00 46.19 42.09 3cpt s LEU 65 CO 0.00 -1.34 1.09 -0.94 0.23 0.00 0.00 176.35 175.39 3cpt s SER 66 N -1.34 1.36 0.22 2.29 1.04 -1.26 -4.28 113.70 111.74 3cpt s SER 66 Ca 0.71 0.85 -0.31 0.00 0.48 0.00 0.00 55.95 57.67 3cpt s SER 66 Cb -0.32 -1.26 -0.11 0.00 0.10 0.00 0.00 66.02 64.43 3cpt s SER 66 CO 0.37 -3.87 1.62 -0.75 0.98 0.00 0.00 173.24 171.60 3cpt s LYS 67 N -5.21 4.16 0.02 4.02 2.20 -1.26 -4.68 119.74 118.99 3cpt s LYS 67 Ca 0.69 2.51 -0.27 0.00 -0.36 0.00 0.00 55.97 58.54 3cpt s LYS 67 Cb -0.13 -3.08 -0.05 0.00 -1.51 0.00 0.00 37.83 33.06 3cpt s LYS 67 CO 0.57 -0.65 0.84 1.21 -0.36 0.00 0.00 175.35 176.96 3cpt s ASN 68 N 0.91 7.26 -0.20 1.43 3.84 -1.26 -4.96 114.94 121.95 3cpt s ASN 68 Ca 0.69 1.51 -0.05 0.00 0.21 0.00 0.00 52.86 55.22 3cpt s ASN 68 Cb -0.47 -2.50 -0.20 0.00 -0.55 0.00 0.00 41.25 37.52 3cpt s ASN 68 CO 0.37 -0.10 0.03 0.29 -2.79 0.00 0.00 177.10 174.91 3cpt n LYS 69 N 3.29 0.68 -3.69 0.43 5.02 -1.26 -4.70 118.16 117.93 3cpt n LYS 69 Ca 0.01 0.23 -0.12 0.00 -2.02 0.00 0.00 58.31 56.42 3cpt n LYS 69 Cb 0.50 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 3cpt n LYS 69 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3cpt s SER 70 N -6.84 -0.21 0.00 4.39 1.04 -1.26 -0.99 113.70 109.84 3cpt s SER 70 Ca -0.30 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 55.99 3cpt s SER 70 Cb 0.08 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 3cpt s SER 70 CO 0.66 -0.71 -0.07 -0.51 0.98 0.00 0.00 173.24 173.59 3cpt s ILE 71 N -2.92 0.58 -0.11 -1.02 2.07 -0.17 -5.01 121.20 114.62 3cpt s ILE 71 Ca -0.02 -0.41 0.01 0.00 -1.41 0.00 0.00 60.65 58.82 3cpt s ILE 71 Cb 0.00 -0.51 0.02 0.00 0.13 0.00 0.00 42.46 42.10 3cpt s ILE 71 CO -0.06 0.10 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.32 3cpt s ILE 72 N -0.31 1.34 -0.17 2.00 1.01 -1.26 -0.85 121.20 122.97 3cpt s ILE 72 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3cpt s ILE 72 Cb -0.04 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.18 3cpt s ILE 72 CO -0.00 0.41 -0.17 0.00 0.00 0.00 0.00 174.94 175.19 3cpt s TYR 74 N 1.03 3.20 0.31 0.00 2.02 -1.26 -0.62 117.35 122.02 3cpt s TYR 74 Ca -0.01 0.03 0.05 0.00 -0.37 0.00 0.00 57.07 56.76 3cpt s TYR 74 Cb -0.15 -2.35 0.05 0.00 -0.40 0.00 0.00 41.96 39.11 3cpt s TYR 74 CO -0.04 -0.19 0.41 0.66 -1.57 0.00 0.00 175.55 174.82 3cpt n TYR 75 N 5.01 -2.50 -0.13 2.71 4.01 0.10 -4.99 117.16 121.38 3cpt n TYR 75 Ca -0.14 -1.15 -0.09 0.00 -0.16 0.00 0.00 57.90 56.36 3cpt n TYR 75 Cb 0.52 -0.29 -0.01 0.00 -0.31 0.00 0.00 39.34 39.25 3cpt n TYR 75 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 3cpt h ASN 76 N 0.07 0.50 -0.00 7.72 -1.24 -2.00 -3.35 115.58 117.28 3cpt h ASN 76 Ca -0.15 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.74 3cpt h ASN 76 Cb 0.67 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.59 3cpt h ASN 76 CO 0.21 0.48 -0.28 0.35 -1.29 0.00 0.00 177.43 176.91 3cpt n THR 77 N -4.71 0.00 -3.94 -3.57 -2.24 -1.26 -4.72 114.28 93.84 3cpt n THR 77 Ca -0.00 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 3cpt n THR 77 Cb 0.11 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.30 3cpt n THR 77 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3cpt s TYR 78 N -1.49 0.33 0.13 4.78 -0.85 -1.26 -1.83 117.35 117.17 3cpt s TYR 78 Ca 0.05 -0.76 0.07 0.00 -0.52 0.00 0.00 57.07 55.91 3cpt s TYR 78 Cb 0.06 -0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.22 3cpt s TYR 78 CO 0.27 -0.56 -0.17 1.14 -1.52 0.00 0.00 175.55 174.71 3cpt s GLN 79 N -3.91 1.13 -0.14 -3.49 -2.07 0.51 0.02 119.66 111.70 3cpt s GLN 79 Ca 0.10 -1.29 0.03 0.00 -1.82 0.00 0.00 55.36 52.38 3cpt s GLN 79 Cb 0.05 -1.13 0.01 0.00 -1.09 0.00 0.00 33.01 30.85 3cpt s GLN 79 CO -0.07 0.23 -0.22 0.08 -1.32 0.00 0.00 175.29 173.99 3cpt s VAL 80 N -1.95 2.09 -0.28 3.63 1.01 0.21 -1.90 120.40 123.22 3cpt s VAL 80 Ca 0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3cpt s VAL 80 Cb -0.06 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.53 3cpt s VAL 80 CO 0.05 0.55 -0.04 -0.69 0.00 0.00 0.00 175.10 174.96 3cpt s VAL 81 N 0.77 2.82 -0.11 2.92 1.01 -0.13 -1.03 120.40 126.65 3cpt s VAL 81 Ca -0.08 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.63 3cpt s VAL 81 Cb -0.16 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.68 3cpt s VAL 81 CO -0.01 0.01 -0.18 -1.58 0.00 0.00 0.00 175.10 173.34 3cpt s GLN 82 N 1.25 2.55 -0.13 2.72 0.74 -0.03 -0.17 119.66 126.59 3cpt s GLN 82 Ca -0.04 -0.69 -0.03 0.00 0.05 0.00 0.00 55.36 54.65 3cpt s GLN 82 Cb -0.19 -2.07 -0.03 0.00 1.10 0.00 0.00 33.01 31.82 3cpt s GLN 82 CO -0.03 0.00 -0.02 -0.06 -0.55 0.00 0.00 175.29 174.64 3cpt s PHE 83 N 0.79 3.08 -0.34 1.67 0.08 0.85 -1.00 117.98 123.10 3cpt s PHE 83 Ca -0.10 -0.10 -0.22 0.00 0.12 0.00 0.00 56.93 56.64 3cpt s PHE 83 Cb -0.16 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 3cpt s PHE 83 CO 0.01 0.15 0.70 -0.80 -0.10 0.00 0.00 175.22 175.17 3cpt s ASN 84 N -0.05 6.51 -0.40 1.36 0.01 -0.16 -1.44 114.94 120.77 3cpt s ASN 84 Ca 0.02 0.34 0.12 0.00 -0.71 0.00 0.00 52.86 52.63 3cpt s ASN 84 Cb -0.13 -2.36 0.38 0.00 0.41 0.00 0.00 41.25 39.55 3cpt s ASN 84 CO 0.02 -0.61 0.84 0.54 -1.51 0.00 0.00 177.10 176.39 3cpt n ARG 85 N 6.13 1.59 -1.70 -0.60 5.12 -0.04 -4.90 116.66 122.27 3cpt n ARG 85 Ca 0.01 -3.70 -0.40 0.00 -1.93 0.00 0.00 57.85 51.83 3cpt n ARG 85 Cb 0.48 -1.74 0.02 0.00 -1.16 0.00 0.00 32.46 30.06 3cpt n ARG 85 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3cpt n LEU 86 N 0.06 4.24 0.00 0.55 4.77 -1.26 0.73 117.00 126.09 3cpt n LEU 86 Ca 0.24 1.05 0.08 0.00 -0.03 0.00 0.00 56.01 57.35 3cpt n LEU 86 Cb 0.65 -1.50 0.45 0.00 -2.33 0.00 0.00 43.42 40.69 3cpt n LEU 86 CO 0.25 -0.77 0.72 -0.81 -1.33 0.00 0.00 177.39 175.46 3cpt n PRO 87 N -0.25 0.81 -3.34 3.23 -0.04 -1.26 -5.05 135.00 129.09 3cpt n PRO 87 Ca 0.08 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 3cpt n PRO 87 Cb 0.41 -1.29 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 3cpt n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3cpt s LEU 88 N -1.59 4.08 -0.09 1.53 1.43 0.22 -4.14 118.68 120.12 3cpt s LEU 88 Ca 0.23 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.13 3cpt s LEU 88 Cb 0.10 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.75 3cpt s LEU 88 CO 0.18 -0.17 -0.14 -0.69 0.23 0.00 0.00 176.35 175.75 3cpt s VAL 89 N -2.02 1.38 -0.19 -1.59 1.01 -0.30 -0.86 120.40 117.84 3cpt s VAL 89 Ca 0.45 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 3cpt s VAL 89 Cb -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3cpt s VAL 89 CO 0.28 0.42 -0.12 -0.69 0.00 0.00 0.00 175.10 174.98 3cpt s VAL 90 N 0.89 2.80 -0.10 2.92 1.01 -0.52 -0.67 120.40 126.73 3cpt s VAL 90 Ca -0.09 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.22 3cpt s VAL 90 Cb -0.15 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.01 3cpt s VAL 90 CO 0.00 0.49 -0.22 -0.44 0.00 0.00 0.00 175.10 174.93 3cpt s SER 91 N 1.20 2.86 -0.17 3.32 0.01 0.18 -0.11 113.70 120.99 3cpt s SER 91 Ca 0.02 -0.52 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 3cpt s SER 91 Cb -0.14 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 64.75 3cpt s SER 91 CO -0.05 0.13 -0.03 -0.36 0.41 0.00 0.00 173.24 173.34 3cpt s PHE 92 N 0.45 3.01 -0.14 2.43 0.08 0.76 -0.37 117.98 124.20 3cpt s PHE 92 Ca -0.17 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.44 3cpt s PHE 92 Cb -0.17 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 3cpt s PHE 92 CO 0.07 -0.15 -0.07 0.42 -0.10 0.00 0.00 175.22 175.38 3cpt s ILE 93 N 0.66 3.57 0.21 0.64 1.09 0.09 -0.95 121.20 126.51 3cpt s ILE 93 Ca -0.02 -0.48 -0.07 0.00 -1.10 0.00 0.00 60.65 58.98 3cpt s ILE 93 Cb -0.14 -2.54 -0.02 0.00 -1.06 0.00 0.00 42.46 38.70 3cpt s ILE 93 CO 0.02 0.51 0.30 0.00 -0.10 0.00 0.00 174.94 175.67 3cpt s ALA 94 N 0.30 0.38 0.69 9.38 0.00 -0.80 -0.43 121.76 131.27 3cpt s ALA 94 Ca -0.06 -1.21 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 3cpt s ALA 94 Cb -0.15 1.15 0.02 0.00 0.00 0.00 0.00 23.12 24.14 3cpt s ALA 94 CO 0.04 -0.71 1.23 -1.54 0.00 0.00 0.00 175.76 174.78 3cpt s SER 95 N -3.07 4.41 0.57 0.00 1.04 0.17 -0.37 113.70 116.45 3cpt s SER 95 Ca 0.28 2.44 0.28 0.00 0.48 0.00 0.00 55.95 59.44 3cpt s SER 95 Cb 0.03 -2.60 1.68 0.00 0.10 0.00 0.00 66.02 65.24 3cpt s SER 95 CO 0.08 -2.13 2.19 0.77 0.98 0.00 0.00 173.24 175.14 3cpt h SER 96 N 0.07 0.00 0.66 7.02 4.64 -1.57 -1.88 113.55 122.49 3cpt h SER 96 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3cpt h SER 96 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3cpt h SER 96 CO 0.51 0.04 -0.57 -1.54 -0.87 0.00 0.00 176.83 174.40 3cpt n SER 97 N -3.81 0.57 -4.61 4.97 3.41 -1.26 -4.85 113.62 108.03 3cpt n SER 97 Ca -0.03 -0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 3cpt n SER 97 Cb 0.13 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3cpt n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cpt n ALA 98 N -1.66 0.13 -2.01 7.33 0.00 -0.71 -4.81 120.51 118.79 3cpt n ALA 98 Ca 0.04 0.29 -0.40 0.00 0.00 0.00 0.00 53.44 53.37 3cpt n ALA 98 Cb 0.38 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 3cpt n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3cpt s ASN 99 N -0.64 5.48 0.40 0.00 3.84 -1.26 -4.86 114.94 117.89 3cpt s ASN 99 Ca 0.61 0.74 0.08 0.00 0.21 0.00 0.00 52.86 54.49 3cpt s ASN 99 Cb -0.60 -2.53 0.85 0.00 -0.55 0.00 0.00 41.25 38.42 3cpt s ASN 99 CO 0.58 -2.14 2.02 0.74 -2.79 0.00 0.00 177.10 175.52 3cpt h THR 100 N 6.89 1.06 -0.84 -5.21 2.02 -1.95 -1.29 112.91 113.60 3cpt h THR 100 Ca -0.29 -0.20 0.11 0.00 0.77 0.00 0.00 66.41 66.80 3cpt h THR 100 Cb 1.17 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.93 3cpt h THR 100 CO 1.14 0.11 0.54 1.23 0.37 0.00 0.00 175.52 178.92 3cpt h GLY 101 N 0.59 1.12 1.75 2.16 0.00 -2.00 -0.74 103.07 105.95 3cpt h GLY 101 Ca 0.21 -0.31 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 3cpt h GLY 101 CO -0.05 0.15 -0.66 1.41 0.00 0.00 0.00 176.54 177.39 3cpt h LEU 102 N 0.74 0.29 -0.50 3.11 3.38 -1.64 -1.73 115.31 118.95 3cpt h LEU 102 Ca 0.40 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 3cpt h LEU 102 Cb 0.53 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3cpt h LEU 102 CO -0.16 0.87 -0.35 0.40 0.09 0.00 0.00 178.44 179.28 3cpt h ILE 103 N 0.17 1.28 -0.66 1.22 2.04 -1.24 -0.69 117.51 119.63 3cpt h ILE 103 Ca -0.01 -1.52 -0.08 0.00 1.00 0.00 0.00 64.86 64.25 3cpt h ILE 103 Cb 1.20 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 3cpt h ILE 103 CO 0.10 0.50 0.10 0.58 0.00 0.00 0.00 178.15 179.44 3cpt h VAL 104 N 0.70 1.26 -0.41 1.67 2.07 -1.00 -1.47 116.25 119.08 3cpt h VAL 104 Ca 0.07 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 3cpt h VAL 104 Cb 0.91 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3cpt h VAL 104 CO 0.08 0.39 0.12 -1.28 0.02 0.00 0.00 177.57 176.91 3cpt h SER 105 N 1.02 0.60 -0.87 0.57 0.87 -1.22 -2.61 113.55 111.92 3cpt h SER 105 Ca 0.20 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 3cpt h SER 105 Cb 0.44 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 3cpt h SER 105 CO 0.01 0.65 0.56 0.25 -0.53 0.00 0.00 176.83 177.78 3cpt h LEU 106 N 0.52 0.95 -0.93 2.23 5.85 -0.88 -1.32 115.31 121.72 3cpt h LEU 106 Ca 0.13 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3cpt h LEU 106 Cb 0.27 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3cpt h LEU 106 CO -0.00 0.66 0.55 -0.08 -0.34 0.00 0.00 178.44 179.22 3cpt h GLU 107 N 1.11 1.28 -0.53 1.25 4.22 -1.08 0.11 114.58 120.94 3cpt h GLU 107 Ca 0.34 -0.13 -0.12 0.00 0.08 0.00 0.00 59.36 59.53 3cpt h GLU 107 Cb -0.03 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 3cpt h GLU 107 CO -0.10 0.91 -0.12 1.57 -2.18 0.00 0.00 179.01 179.08 3cpt h LYS 108 N 1.29 1.02 -0.84 1.92 2.10 -1.06 0.28 116.57 121.29 3cpt h LYS 108 Ca 0.33 -0.39 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 3cpt h LYS 108 Cb -0.03 -0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 31.20 3cpt h LYS 108 CO -0.06 1.07 0.45 1.49 -2.00 0.00 0.00 179.45 180.40 3cpt h GLU 109 N 0.91 1.17 0.00 0.07 4.81 -0.74 -2.99 114.58 117.80 3cpt h GLU 109 Ca 0.14 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3cpt h GLU 109 Cb 0.69 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3cpt h GLU 109 CO 0.05 0.86 -0.47 1.28 -0.73 0.00 0.00 179.01 180.01 3cpt n LEU 110 N -4.33 0.47 -0.30 1.64 4.77 0.35 -4.38 117.00 115.22 3cpt n LEU 110 Ca 0.09 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 3cpt n LEU 110 Cb 0.10 -0.27 0.28 0.00 -2.33 0.00 0.00 43.42 41.20 3cpt n LEU 110 CO 0.39 0.08 0.91 0.00 -1.33 0.00 0.00 177.39 177.44 3cpt h ALA 111 N 2.92 1.22 -0.34 -1.18 0.00 -0.30 -0.81 119.26 120.76 3cpt h ALA 111 Ca 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3cpt h ALA 111 Cb 0.54 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3cpt h ALA 111 CO 0.00 -0.48 -0.06 -1.35 0.00 0.00 0.00 179.25 177.36 3cpt h PRO 112 N 0.17 0.55 -0.12 0.00 0.11 -1.79 0.48 132.00 131.39 3cpt h PRO 112 Ca 0.54 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 66.51 3cpt h PRO 112 Cb 1.10 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3cpt h PRO 112 CO -0.69 0.62 0.06 -0.07 -0.21 0.00 0.00 178.00 177.71 3cpt h LEU 113 N 0.51 0.16 -1.19 2.35 3.38 -1.49 -1.74 115.31 117.30 3cpt h LEU 113 Ca 0.10 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3cpt h LEU 113 Cb 0.42 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3cpt h LEU 113 CO 0.02 0.22 0.09 -0.26 0.09 0.00 0.00 178.44 178.60 3cpt h PHE 114 N 0.08 0.67 -0.57 1.13 0.04 -0.49 -1.75 116.94 116.05 3cpt h PHE 114 Ca 0.04 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.65 3cpt h PHE 114 Cb 0.11 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 3cpt h PHE 114 CO -0.03 0.59 -0.05 1.49 -0.60 0.00 0.00 178.31 179.70 3cpt h GLU 115 N 0.63 1.04 -0.77 1.51 4.57 0.05 -1.06 114.58 120.55 3cpt h GLU 115 Ca 0.14 -0.36 -0.04 0.00 -1.18 0.00 0.00 59.36 57.92 3cpt h GLU 115 Cb 0.27 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3cpt h GLU 115 CO -0.00 1.05 0.31 0.93 -1.18 0.00 0.00 179.01 180.12 3cpt h GLU 116 N 0.92 1.14 -0.23 1.92 5.08 -0.77 -2.58 114.58 120.06 3cpt h GLU 116 Ca 0.15 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3cpt h GLU 116 Cb 0.61 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3cpt h GLU 116 CO 0.04 0.92 -0.36 1.25 -1.00 0.00 0.00 179.01 179.86 3cpt h LEU 117 N 1.12 0.53 -1.25 1.33 5.85 -1.13 -2.61 115.31 119.15 3cpt h LEU 117 Ca 0.26 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3cpt h LEU 117 Cb 0.20 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3cpt h LEU 117 CO -0.02 0.85 0.10 -1.14 -0.34 0.00 0.00 178.44 177.88 3cpt n ARG 118 N -4.05 0.12 -1.16 1.25 0.63 -0.42 0.18 116.66 113.22 3cpt n ARG 118 Ca -0.01 0.61 -0.17 0.00 -0.92 0.00 0.00 57.85 57.36 3cpt n ARG 118 Cb 0.48 -2.00 -0.10 0.00 0.45 0.00 0.00 32.46 31.29 3cpt n ARG 118 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3cpt n GLN 119 N -2.18 2.09 -1.08 -0.14 3.00 -0.99 -3.45 117.38 114.62 3cpt n GLN 119 Ca -0.01 -1.50 -0.14 0.00 -0.01 0.00 0.00 57.00 55.33 3cpt n GLN 119 Cb 0.12 -1.98 0.23 0.00 0.00 0.00 0.00 30.24 28.61 3cpt n GLN 119 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3cpt n VAL 120 N 1.69 3.00 1.76 5.09 0.24 0.13 -5.10 118.33 125.14 3cpt n VAL 120 Ca 0.42 -1.95 0.15 0.00 -2.04 0.00 0.00 64.34 60.92 3cpt n VAL 120 Cb 0.73 -0.41 0.74 0.00 -1.47 0.00 0.00 33.84 33.44 3cpt n VAL 120 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21