#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbk s GLY 33 N 0.00 1.59 -0.15 2.61 0.00 -1.26 -3.89 107.32 106.22 3fbk s GLY 33 Ca 0.00 -1.25 0.12 0.00 0.00 0.00 0.00 44.72 43.59 3fbk s GLY 33 CO 0.00 0.43 1.44 0.00 0.00 0.00 0.00 173.10 174.97 3fbk n ALA 34 N 4.75 3.37 0.00 3.20 0.00 -0.57 -4.92 120.51 126.33 3fbk n ALA 34 Ca -0.18 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 51.89 3fbk n ALA 34 Cb 0.50 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3fbk n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fbk n GLY 35 N 0.62 0.75 3.24 0.00 0.00 -1.26 -1.47 105.19 107.07 3fbk n GLY 35 Ca 0.21 -2.23 -0.23 0.00 0.00 0.00 0.00 46.02 43.76 3fbk n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fbk s GLN 36 N -0.83 1.14 -0.04 1.61 1.11 0.20 -0.42 119.66 122.43 3fbk s GLN 36 Ca 0.00 -1.00 0.04 0.00 0.01 0.00 0.00 55.36 54.41 3fbk s GLN 36 Cb 0.00 -1.29 -0.00 0.00 -1.01 0.00 0.00 33.01 30.71 3fbk s GLN 36 CO 0.00 0.31 -0.17 -1.17 0.01 0.00 0.00 175.29 174.28 3fbk s LEU 37 N -1.53 1.91 -0.26 2.90 2.96 0.46 0.15 118.68 125.29 3fbk s LEU 37 Ca 0.05 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 3fbk s LEU 37 Cb -0.09 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 3fbk s LEU 37 CO 0.03 0.15 0.12 -0.60 -1.32 0.00 0.00 176.35 174.73 3fbk s ARG 38 N 0.02 3.81 0.26 1.98 3.52 0.63 -0.14 118.95 129.04 3fbk s ARG 38 Ca -0.03 -0.40 -0.08 0.00 -0.13 0.00 0.00 55.73 55.09 3fbk s ARG 38 Cb -0.11 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.81 3fbk s ARG 38 CO 0.02 -0.14 0.40 -0.48 -0.81 0.00 0.00 175.30 174.28 3fbk s LEU 39 N 1.57 0.65 -0.00 -0.88 0.05 -0.32 -1.42 118.68 118.33 3fbk s LEU 39 Ca 0.06 -1.15 -0.00 0.00 0.05 0.00 0.00 54.13 53.09 3fbk s LEU 39 Cb -0.15 1.39 0.00 0.00 -2.05 0.00 0.00 46.19 45.38 3fbk s LEU 39 CO 0.06 -1.11 0.01 -0.55 -0.55 0.00 0.00 176.35 174.22 3fbk s SER 40 N -3.10 -0.01 -0.04 1.48 0.15 -0.51 -1.30 113.70 110.38 3fbk s SER 40 Ca 0.28 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.95 3fbk s SER 40 Cb 0.01 0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.36 3fbk s SER 40 CO 0.12 -0.01 -0.01 -0.63 1.20 0.00 0.00 173.24 173.92 3fbk s ILE 41 N 0.03 0.26 0.02 6.45 1.01 -0.38 -0.11 121.20 128.48 3fbk s ILE 41 Ca -0.00 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.73 3fbk s ILE 41 Cb -0.00 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 42.09 3fbk s ILE 41 CO -0.00 0.18 -0.05 -0.62 0.00 0.00 0.00 174.94 174.45 3fbk s ASP 42 N 1.18 0.54 -0.10 3.58 3.68 -0.59 -4.16 116.67 120.79 3fbk s ASP 42 Ca -0.07 -0.35 -0.02 0.00 2.13 0.00 0.00 52.55 54.24 3fbk s ASP 42 Cb -0.13 0.02 -0.03 0.00 -1.45 0.00 0.00 42.92 41.33 3fbk s ASP 42 CO -0.02 -0.13 -0.04 0.00 0.13 0.00 0.00 175.17 175.11 3fbk s ALA 43 N -0.90 3.08 -0.30 3.66 0.00 -1.26 0.01 121.76 126.05 3fbk s ALA 43 Ca -0.07 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 3fbk s ALA 43 Cb -0.07 -1.42 0.10 0.00 0.00 0.00 0.00 23.12 21.74 3fbk s ALA 43 CO -0.00 0.45 0.13 -1.14 0.00 0.00 0.00 175.76 175.20 3fbk s GLN 44 N -0.42 0.38 -1.00 0.00 -0.44 -0.16 -4.92 119.66 113.09 3fbk s GLN 44 Ca 0.07 -0.76 -0.12 0.00 -2.50 0.00 0.00 55.36 52.05 3fbk s GLN 44 Cb -0.12 -1.42 -0.01 0.00 -1.64 0.00 0.00 33.01 29.81 3fbk s GLN 44 CO 0.02 -1.02 0.76 -0.25 0.50 0.00 0.00 175.29 175.30 3fbk n ASP 45 N 5.04 -5.88 -2.62 6.67 9.92 -1.26 -2.19 116.55 126.23 3fbk n ASP 45 Ca -0.04 -0.80 -0.18 0.00 -0.53 0.00 0.00 54.79 53.24 3fbk n ASP 45 Cb 0.42 -3.65 0.00 0.00 -0.64 0.00 0.00 41.12 37.25 3fbk n ASP 45 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3fbk n ARG 46 N -3.37 -2.60 -3.83 -1.24 1.74 -1.26 -4.97 116.66 101.12 3fbk n ARG 46 Ca -0.11 0.80 -0.27 0.00 -0.77 0.00 0.00 57.85 57.50 3fbk n ARG 46 Cb 0.59 -5.48 -0.17 0.00 -1.02 0.00 0.00 32.46 26.38 3fbk n ARG 46 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fbk s VAL 47 N -2.91 0.84 -0.10 1.55 1.01 -0.93 -1.60 120.40 118.27 3fbk s VAL 47 Ca 0.09 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 3fbk s VAL 47 Cb -0.04 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3fbk s VAL 47 CO 0.11 0.07 0.87 -0.76 0.00 0.00 0.00 175.10 175.39 3fbk s LEU 48 N 1.75 4.26 -0.38 3.92 1.43 -0.07 -0.99 118.68 128.60 3fbk s LEU 48 Ca 0.01 1.35 -0.08 0.00 -1.03 0.00 0.00 54.13 54.38 3fbk s LEU 48 Cb -0.15 -3.33 0.05 0.00 0.03 0.00 0.00 46.19 42.79 3fbk s LEU 48 CO -0.07 -0.31 0.19 -0.22 0.23 0.00 0.00 176.35 176.17 3fbk s LEU 49 N 1.56 4.76 -0.11 1.79 2.96 0.10 -0.06 118.68 129.69 3fbk s LEU 49 Ca 0.43 -1.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.02 3fbk s LEU 49 Cb -0.18 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3fbk s LEU 49 CO 0.18 -0.43 0.04 -0.76 -1.32 0.00 0.00 176.35 174.06 3fbk s LEU 50 N 1.43 3.78 -0.31 -0.68 1.02 -0.18 -1.54 118.68 122.20 3fbk s LEU 50 Ca 0.01 0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.39 3fbk s LEU 50 Cb -0.21 -1.89 0.09 0.00 0.02 0.00 0.00 46.19 44.20 3fbk s LEU 50 CO 0.03 0.36 0.04 -2.28 0.02 0.00 0.00 176.35 174.52 3fbk s HIS 51 N -0.76 3.06 -0.52 0.29 2.46 0.85 0.21 115.29 120.88 3fbk s HIS 51 Ca 0.12 -2.50 -0.22 0.00 0.47 0.00 0.00 55.06 52.93 3fbk s HIS 51 Cb -0.12 -2.40 0.04 0.00 -0.13 0.00 0.00 32.58 29.98 3fbk s HIS 51 CO 0.02 -0.91 0.81 0.42 -2.47 0.00 0.00 174.74 172.62 3fbk s ILE 52 N 1.15 4.60 -0.01 0.89 1.09 0.05 -1.42 121.20 127.55 3fbk s ILE 52 Ca 0.07 0.06 -0.00 0.00 -1.10 0.00 0.00 60.65 59.68 3fbk s ILE 52 Cb -0.19 -4.42 -0.00 0.00 -1.06 0.00 0.00 42.46 36.80 3fbk s ILE 52 CO -0.12 -0.94 -0.00 0.40 -0.10 0.00 0.00 174.94 174.18 3fbk h ILE 53 N 5.96 0.00 -3.22 2.92 2.04 -1.51 -1.19 117.51 122.51 3fbk h ILE 53 Ca -0.26 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.47 3fbk h ILE 53 Cb 1.08 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 3fbk h ILE 53 CO 1.02 0.00 0.10 -1.83 0.00 0.00 0.00 178.15 177.44 3fbk s GLU 54 N -1.08 1.61 0.28 2.37 -1.05 -1.19 -0.61 118.70 119.04 3fbk s GLU 54 Ca -0.00 -0.99 0.10 0.00 -0.15 0.00 0.00 54.97 53.92 3fbk s GLU 54 Cb 0.00 0.56 -0.05 0.00 -0.44 0.00 0.00 34.13 34.19 3fbk s GLU 54 CO 0.00 -0.71 -0.13 0.20 0.95 0.00 0.00 175.26 175.57 3fbk s GLY 55 N -2.92 1.88 -0.10 -3.83 0.00 0.13 -0.27 107.32 102.21 3fbk s GLY 55 Ca 0.13 -1.90 -0.11 0.00 0.00 0.00 0.00 44.72 42.83 3fbk s GLY 55 CO 0.04 -1.93 0.31 1.25 0.00 0.00 0.00 173.10 172.77 3fbk s LYS 56 N -3.60 0.42 -1.42 2.90 2.20 0.12 -3.43 119.74 116.92 3fbk s LYS 56 Ca 0.29 0.30 -0.08 0.00 -0.36 0.00 0.00 55.97 56.13 3fbk s LYS 56 Cb -0.01 0.20 0.04 0.00 -1.51 0.00 0.00 37.83 36.56 3fbk s LYS 56 CO 0.13 -0.07 0.61 0.41 -0.36 0.00 0.00 175.35 176.08 3fbk n GLY 57 N 2.59 -0.51 3.73 5.54 0.00 -0.99 -0.63 105.19 114.92 3fbk n GLY 57 Ca -0.15 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3fbk n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fbk n LEU 58 N -4.00 4.14 -4.16 0.99 4.77 -0.41 -4.02 117.00 114.32 3fbk n LEU 58 Ca -0.05 1.13 -0.33 0.00 -0.03 0.00 0.00 56.01 56.73 3fbk n LEU 58 Cb 0.57 -1.57 -0.15 0.00 -2.33 0.00 0.00 43.42 39.94 3fbk n LEU 58 CO 0.53 0.07 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.56 3fbk s ILE 59 N 0.17 2.44 -0.19 -0.08 -1.09 -0.54 -4.90 121.20 117.00 3fbk s ILE 59 Ca 0.66 -0.98 -0.00 0.00 -2.23 0.00 0.00 60.65 58.10 3fbk s ILE 59 Cb -0.52 -2.14 0.01 0.00 -1.58 0.00 0.00 42.46 38.23 3fbk s ILE 59 CO 0.46 0.38 -0.15 -0.94 -1.23 0.00 0.00 174.94 173.45 3fbk s SER 60 N 1.30 3.48 0.00 3.58 1.04 -1.26 -4.82 113.70 117.01 3fbk s SER 60 Ca 0.02 -0.59 0.16 0.00 0.48 0.00 0.00 55.95 56.03 3fbk s SER 60 Cb -0.15 -1.55 0.70 0.00 0.10 0.00 0.00 66.02 65.12 3fbk s SER 60 CO -0.09 -0.01 1.52 2.29 0.98 0.00 0.00 173.24 177.93 3fbk n LYS 61 N 4.67 0.01 -2.64 4.02 0.00 -1.26 -4.72 118.16 118.24 3fbk n LYS 61 Ca -0.20 0.22 -0.40 0.00 -0.00 0.00 0.00 58.31 57.92 3fbk n LYS 61 Cb 0.50 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.98 3fbk n LYS 61 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3fbk s GLN 62 N -2.98 4.74 0.01 -1.58 -0.21 -1.26 -5.00 119.66 113.38 3fbk s GLN 62 Ca 0.08 1.60 -0.30 0.00 0.02 0.00 0.00 55.36 56.76 3fbk s GLN 62 Cb 0.11 -3.27 -0.05 0.00 1.00 0.00 0.00 33.01 30.80 3fbk s GLN 62 CO 0.29 0.33 1.22 -1.25 -2.12 0.00 0.00 175.29 173.76 3fbk s PRO 63 N -0.96 4.39 0.00 2.91 0.04 -1.26 -4.86 135.00 135.25 3fbk s PRO 63 Ca 0.44 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3fbk s PRO 63 Cb -0.28 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.80 3fbk s PRO 63 CO 0.34 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.43 3fbk n GLY 64 N 3.32 0.67 3.75 0.56 0.00 -1.26 -5.09 105.19 107.14 3fbk n GLY 64 Ca 0.10 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 3fbk n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fbk s THR 65 N -1.20 3.01 -0.34 2.61 -4.23 -1.26 -5.00 115.64 109.23 3fbk s THR 65 Ca 0.00 0.40 -0.10 0.00 -1.18 0.00 0.00 61.69 60.82 3fbk s THR 65 Cb 0.00 -2.86 0.01 0.00 1.34 0.00 0.00 72.50 71.00 3fbk s THR 65 CO 0.00 -0.36 0.16 0.00 -0.54 0.00 0.00 174.62 173.88 3fbk s ASP 67 N 1.55 3.76 0.42 0.00 1.11 -1.26 -0.54 116.67 121.72 3fbk s ASP 67 Ca 0.03 -3.37 -0.12 0.00 0.18 0.00 0.00 52.55 49.27 3fbk s ASP 67 Cb -0.18 -1.24 -0.07 0.00 1.07 0.00 0.00 42.92 42.50 3fbk s ASP 67 CO 0.06 -0.15 0.81 -2.16 1.18 0.00 0.00 175.17 174.91 3fbk s PRO 68 N -0.66 3.83 0.08 8.23 0.04 -1.22 -0.67 135.00 144.63 3fbk s PRO 68 Ca 0.25 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.75 3fbk s PRO 68 Cb -0.08 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.13 3fbk s PRO 68 CO -0.13 -0.07 0.28 1.52 0.04 0.00 0.00 177.00 178.64 3fbk s TYR 69 N -2.39 -0.03 -0.10 0.56 -0.85 -0.74 -1.05 117.35 112.75 3fbk s TYR 69 Ca 0.53 -0.26 0.02 0.00 -0.52 0.00 0.00 57.07 56.83 3fbk s TYR 69 Cb -0.10 0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.29 3fbk s TYR 69 CO 0.30 -0.56 -0.14 0.08 -1.52 0.00 0.00 175.55 173.71 3fbk s VAL 70 N -3.31 2.98 -0.09 -3.49 1.01 -1.26 -0.97 120.40 115.28 3fbk s VAL 70 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3fbk s VAL 70 Cb 0.02 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3fbk s VAL 70 CO -0.08 0.55 -0.21 -0.75 0.00 0.00 0.00 175.10 174.61 3fbk s LYS 71 N -0.04 2.97 -0.07 2.72 2.20 0.73 -1.28 119.74 126.96 3fbk s LYS 71 Ca -0.03 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.77 3fbk s LYS 71 Cb -0.14 -2.35 -0.03 0.00 -1.51 0.00 0.00 37.83 33.80 3fbk s LYS 71 CO 0.04 0.27 -0.11 0.42 -0.36 0.00 0.00 175.35 175.61 3fbk s ILE 72 N 0.14 3.34 0.36 5.43 1.09 0.16 -1.20 121.20 130.53 3fbk s ILE 72 Ca -0.11 -0.61 -0.17 0.00 -1.10 0.00 0.00 60.65 58.67 3fbk s ILE 72 Cb -0.16 -2.35 0.06 0.00 -1.06 0.00 0.00 42.46 38.95 3fbk s ILE 72 CO 0.06 0.58 0.81 -0.94 -0.10 0.00 0.00 174.94 175.36 3fbk s SER 73 N -0.56 -0.00 0.07 3.58 1.04 -0.78 -1.69 113.70 115.35 3fbk s SER 73 Ca 0.08 -1.08 0.08 0.00 0.48 0.00 0.00 55.95 55.51 3fbk s SER 73 Cb -0.12 0.81 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 3fbk s SER 73 CO 0.02 -1.61 -0.19 -0.76 0.98 0.00 0.00 173.24 171.67 3fbk s LEU 74 N -3.10 2.58 0.01 2.42 1.43 -1.26 -0.34 118.68 120.42 3fbk s LEU 74 Ca 0.16 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3fbk s LEU 74 Cb -0.05 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3fbk s LEU 74 CO 0.11 0.22 -0.03 0.27 0.23 0.00 0.00 176.35 177.15 3fbk s ILE 75 N -1.00 0.15 0.25 -0.59 -4.36 -0.12 -3.99 121.20 111.54 3fbk s ILE 75 Ca 0.15 -0.49 -0.19 0.00 -0.26 0.00 0.00 60.65 59.86 3fbk s ILE 75 Cb -0.10 -0.21 -0.08 0.00 1.25 0.00 0.00 42.46 43.31 3fbk s ILE 75 CO 0.07 -0.22 0.74 -2.16 0.24 0.00 0.00 174.94 173.60 3fbk s PRO 76 N -0.75 4.22 -0.30 0.37 0.04 -1.26 -0.29 135.00 137.04 3fbk s PRO 76 Ca -0.07 0.85 -0.12 0.00 0.04 0.00 0.00 61.00 61.71 3fbk s PRO 76 Cb -0.05 -2.79 0.12 0.00 0.04 0.00 0.00 34.50 31.83 3fbk s PRO 76 CO -0.00 0.34 0.70 -2.00 0.04 0.00 0.00 177.00 176.07 3fbk s GLU 77 N -2.18 0.57 -1.35 4.56 2.12 -1.26 -4.99 118.70 116.19 3fbk s GLU 77 Ca 0.46 1.33 -0.09 0.00 0.36 0.00 0.00 54.97 57.02 3fbk s GLU 77 Cb -0.15 0.67 0.12 0.00 0.26 0.00 0.00 34.13 35.03 3fbk s GLU 77 CO 0.20 -0.18 2.13 -3.47 -0.54 0.00 0.00 175.26 173.41 3fbk n ASP 78 N 5.14 5.84 -3.63 -1.70 4.64 -1.26 -4.82 116.55 120.76 3fbk n ASP 78 Ca -0.13 -3.03 -0.05 0.00 -1.38 0.00 0.00 54.79 50.19 3fbk n ASP 78 Cb 0.52 -1.49 -0.05 0.00 -1.04 0.00 0.00 41.12 39.06 3fbk n ASP 78 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3fbk s SER 79 N 1.20 -0.16 0.00 1.67 0.15 -1.26 -5.05 113.70 110.26 3fbk s SER 79 Ca 0.46 0.22 0.08 0.00 0.70 0.00 0.00 55.95 57.41 3fbk s SER 79 Cb 0.13 0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.72 3fbk s SER 79 CO -0.04 -0.11 0.82 0.54 1.20 0.00 0.00 173.24 175.65 3fbk n ARG 80 N 0.99 0.58 -0.07 5.44 1.74 -1.26 -4.64 116.66 119.44 3fbk n ARG 80 Ca -0.06 -1.12 0.18 0.00 -0.77 0.00 0.00 57.85 56.07 3fbk n ARG 80 Cb 0.58 -1.15 0.60 0.00 -1.02 0.00 0.00 32.46 31.47 3fbk n ARG 80 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3fbk h LEU 81 N 1.48 0.18 -0.33 0.55 3.38 -2.00 -0.66 115.31 117.92 3fbk h LEU 81 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3fbk h LEU 81 Cb 0.38 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3fbk h LEU 81 CO 0.00 0.10 -0.29 0.54 0.09 0.00 0.00 178.44 178.88 3fbk n ARG 82 N -4.42 0.60 -2.01 1.13 1.74 -1.26 -4.94 116.66 107.49 3fbk n ARG 82 Ca 0.11 -0.33 -0.39 0.00 -0.77 0.00 0.00 57.85 56.48 3fbk n ARG 82 Cb 0.55 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 3fbk n ARG 82 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fbk s HIS 83 N -2.63 2.73 0.03 -1.55 3.76 -0.26 -4.83 115.29 112.53 3fbk s HIS 83 Ca 0.21 1.40 0.01 0.00 -0.15 0.00 0.00 55.06 56.53 3fbk s HIS 83 Cb 0.19 -3.69 -0.02 0.00 1.11 0.00 0.00 32.58 30.17 3fbk s HIS 83 CO 0.56 -2.23 -0.04 -0.65 -0.85 0.00 0.00 174.74 171.53 3fbk s GLN 84 N -2.37 0.37 0.12 1.40 -0.21 -0.68 -4.99 119.66 113.30 3fbk s GLN 84 Ca 0.59 -0.62 -0.02 0.00 0.02 0.00 0.00 55.36 55.34 3fbk s GLN 84 Cb -0.38 -0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.56 3fbk s GLN 84 CO 0.48 -0.01 0.07 -1.59 -2.12 0.00 0.00 175.29 172.12 3fbk s LYS 85 N -1.39 0.91 0.61 2.91 -2.85 -1.26 0.41 119.74 119.08 3fbk s LYS 85 Ca -0.13 -1.38 0.03 0.00 -1.00 0.00 0.00 55.97 53.48 3fbk s LYS 85 Cb -0.09 0.25 0.12 0.00 -2.06 0.00 0.00 37.83 36.05 3fbk s LYS 85 CO -0.00 -0.26 0.84 0.25 0.10 0.00 0.00 175.35 176.28 3fbk n THR 86 N -0.08 0.00 -1.41 3.79 -2.24 -0.40 -4.98 114.28 108.95 3fbk n THR 86 Ca -0.07 -1.51 -0.30 0.00 -2.27 0.00 0.00 64.05 59.91 3fbk n THR 86 Cb 0.63 -0.83 0.12 0.00 -2.10 0.00 0.00 70.33 68.15 3fbk n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fbk s GLN 87 N -4.68 1.57 -0.26 -0.78 -2.07 -1.26 -4.62 119.66 107.56 3fbk s GLN 87 Ca 0.58 0.64 -0.10 0.00 -1.82 0.00 0.00 55.36 54.66 3fbk s GLN 87 Cb -0.04 -1.86 -0.05 0.00 -1.09 0.00 0.00 33.01 29.98 3fbk s GLN 87 CO 0.38 -1.98 0.16 0.99 -1.32 0.00 0.00 175.29 173.52 3fbk s THR 88 N -3.09 5.21 -0.48 3.63 2.01 -1.26 -4.46 115.64 117.20 3fbk s THR 88 Ca 0.62 0.13 -0.21 0.00 0.31 0.00 0.00 61.69 62.55 3fbk s THR 88 Cb -0.16 -3.45 0.04 0.00 0.01 0.00 0.00 72.50 68.94 3fbk s THR 88 CO 0.55 0.30 0.70 -0.69 -0.69 0.00 0.00 174.62 174.80 3fbk s VAL 89 N 1.43 4.75 0.22 3.82 1.01 -0.22 -4.96 120.40 126.44 3fbk s VAL 89 Ca 0.07 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3fbk s VAL 89 Cb -0.15 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.83 3fbk s VAL 89 CO 0.07 -0.77 1.38 -2.16 0.00 0.00 0.00 175.10 173.62 3fbk s PRO 90 N 3.00 4.33 -1.09 2.72 0.04 -1.26 -3.39 135.00 139.35 3fbk s PRO 90 Ca 0.22 2.18 -0.21 0.00 0.04 0.00 0.00 61.00 63.23 3fbk s PRO 90 Cb -0.15 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.25 3fbk s PRO 90 CO 0.17 -0.34 0.72 -3.47 0.04 0.00 0.00 177.00 174.12 3fbk n ASP 91 N 2.55 -5.02 -3.68 6.66 2.03 -0.84 -4.95 116.55 113.29 3fbk n ASP 91 Ca 0.07 -1.05 -0.10 0.00 0.52 0.00 0.00 54.79 54.23 3fbk n ASP 91 Cb 0.41 -2.63 -0.10 0.00 -0.72 0.00 0.00 41.12 38.08 3fbk n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fbk n ARG 93 N 4.79 1.07 -3.18 0.00 1.74 -1.26 -4.22 116.66 115.60 3fbk n ARG 93 Ca -0.16 -0.64 -0.20 0.00 -0.77 0.00 0.00 57.85 56.07 3fbk n ARG 93 Cb 0.52 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.44 3fbk n ARG 93 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3fbk n ASP 94 N -0.40 0.92 -4.77 0.55 9.92 -1.26 -1.29 116.55 120.21 3fbk n ASP 94 Ca 0.14 -2.98 -0.41 0.00 -0.53 0.00 0.00 54.79 51.01 3fbk n ASP 94 Cb 0.36 -0.62 -0.00 0.00 -0.64 0.00 0.00 41.12 40.21 3fbk n ASP 94 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3fbk s PRO 95 N -2.21 4.09 -0.38 -0.24 0.04 -1.22 -4.67 135.00 130.41 3fbk s PRO 95 Ca 0.39 2.40 -0.09 0.00 0.04 0.00 0.00 61.00 63.74 3fbk s PRO 95 Cb 0.30 -2.92 0.05 0.00 0.04 0.00 0.00 34.50 31.97 3fbk s PRO 95 CO -0.09 -0.48 0.20 0.00 0.04 0.00 0.00 177.00 176.67 3fbk s ALA 96 N -1.16 3.22 -0.22 8.56 0.00 -1.26 0.17 121.76 131.07 3fbk s ALA 96 Ca 0.53 -1.86 -0.20 0.00 0.00 0.00 0.00 51.96 50.43 3fbk s ALA 96 Cb -0.43 -2.53 -0.17 0.00 0.00 0.00 0.00 23.12 19.99 3fbk s ALA 96 CO 0.58 -1.46 0.09 1.19 0.00 0.00 0.00 175.76 176.16 3fbk n PHE 97 N 4.92 0.83 -3.90 0.00 3.72 0.16 -4.98 117.46 118.22 3fbk n PHE 97 Ca -0.11 0.36 -0.27 0.00 -0.05 0.00 0.00 57.45 57.38 3fbk n PHE 97 Cb 0.45 -1.06 -0.01 0.00 -0.94 0.00 0.00 39.48 37.92 3fbk n PHE 97 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3fbk n HIS 98 N -4.41 -1.69 -5.03 1.38 8.25 0.22 -4.97 115.22 108.97 3fbk n HIS 98 Ca -0.35 0.69 -0.28 0.00 -0.26 0.00 0.00 57.72 57.52 3fbk n HIS 98 Cb 0.70 -3.71 -0.16 0.00 1.12 0.00 0.00 29.99 27.94 3fbk n HIS 98 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3fbk s GLU 99 N -6.46 1.73 -0.05 -0.41 2.02 -0.53 -5.00 118.70 110.00 3fbk s GLU 99 Ca 0.09 -0.80 -0.01 0.00 0.02 0.00 0.00 54.97 54.26 3fbk s GLU 99 Cb -0.03 -1.69 -0.04 0.00 0.10 0.00 0.00 34.13 32.47 3fbk s GLU 99 CO 0.88 0.46 0.03 -1.01 0.02 0.00 0.00 175.26 175.64 3fbk s HIS 100 N -0.54 3.21 0.08 1.61 3.76 -1.26 -0.77 115.29 121.38 3fbk s HIS 100 Ca 0.08 0.20 0.05 0.00 -0.15 0.00 0.00 55.06 55.24 3fbk s HIS 100 Cb -0.08 -1.77 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 3fbk s HIS 100 CO -0.01 0.51 -0.13 -0.06 -0.85 0.00 0.00 174.74 174.20 3fbk s PHE 101 N -1.00 1.19 -0.25 1.40 0.08 0.13 -4.98 117.98 114.55 3fbk s PHE 101 Ca 0.17 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.71 3fbk s PHE 101 Cb -0.12 -0.66 0.07 0.00 -0.57 0.00 0.00 43.02 41.74 3fbk s PHE 101 CO 0.06 0.06 -0.01 -0.06 -0.10 0.00 0.00 175.22 175.17 3fbk s PHE 102 N -1.63 2.25 -0.46 0.36 0.08 -1.26 -1.01 117.98 116.32 3fbk s PHE 102 Ca 0.01 -1.76 -0.03 0.00 0.12 0.00 0.00 56.93 55.27 3fbk s PHE 102 Cb -0.08 -1.66 0.12 0.00 -0.57 0.00 0.00 43.02 40.84 3fbk s PHE 102 CO 0.02 -0.79 0.25 0.12 -0.10 0.00 0.00 175.22 174.73 3fbk s PHE 103 N 1.44 3.55 0.22 0.36 2.19 0.91 -4.93 117.98 121.71 3fbk s PHE 103 Ca -0.01 -2.50 -0.30 0.00 0.33 0.00 0.00 56.93 54.45 3fbk s PHE 103 Cb -0.18 -3.21 -0.09 0.00 -1.31 0.00 0.00 43.02 38.22 3fbk s PHE 103 CO -0.09 -0.94 1.22 -1.25 1.83 0.00 0.00 175.22 175.98 3fbk s PRO 104 N 0.86 4.48 0.18 10.12 0.04 -1.26 -0.89 135.00 148.52 3fbk s PRO 104 Ca 0.10 1.94 0.07 0.00 0.04 0.00 0.00 61.00 63.16 3fbk s PRO 104 Cb -0.22 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 3fbk s PRO 104 CO -0.04 -0.09 -0.15 0.14 0.04 0.00 0.00 177.00 176.91 3fbk s VAL 105 N -0.31 1.61 0.32 -0.36 -7.23 -0.63 -4.92 120.40 108.89 3fbk s VAL 105 Ca 0.52 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.68 3fbk s VAL 105 Cb -0.34 -1.89 -0.06 0.00 0.56 0.00 0.00 36.38 34.64 3fbk s VAL 105 CO 0.39 -0.53 0.03 0.00 -0.31 0.00 0.00 175.10 174.68 3fbk s GLN 106 N -3.32 1.66 0.31 4.82 -2.07 -1.26 -4.69 119.66 115.10 3fbk s GLN 106 Ca 0.18 -1.90 0.07 0.00 -1.82 0.00 0.00 55.36 51.88 3fbk s GLN 106 Cb -0.02 -1.00 0.85 0.00 -1.09 0.00 0.00 33.01 31.75 3fbk s GLN 106 CO 0.05 -0.13 1.66 1.49 -1.32 0.00 0.00 175.29 177.05 3fbk h GLU 107 N 2.12 0.27 0.00 9.60 4.57 -2.02 0.37 114.58 129.50 3fbk h GLU 107 Ca -0.41 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3fbk h GLU 107 Cb 1.24 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3fbk h GLU 107 CO 0.70 0.18 0.00 0.39 -1.18 0.00 0.00 179.01 179.10 3fbk n GLU 108 N -5.14 0.10 0.00 1.92 4.71 -1.26 -2.09 120.64 118.88 3fbk n GLU 108 Ca 0.25 0.23 0.11 0.00 -0.01 0.00 0.00 57.16 57.74 3fbk n GLU 108 Cb 0.78 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.68 3fbk n GLU 108 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3fbk n ASP 109 N -1.34 1.57 -0.33 1.62 10.43 0.13 -4.58 116.55 124.05 3fbk n ASP 109 Ca 0.04 -1.27 0.18 0.00 2.57 0.00 0.00 54.79 56.31 3fbk n ASP 109 Cb 0.09 0.68 0.42 0.00 1.84 0.00 0.00 41.12 44.15 3fbk n ASP 109 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3fbk h ASP 110 N 1.39 0.60 -0.10 -2.24 3.45 -1.47 0.08 116.42 118.13 3fbk h ASP 110 Ca 0.00 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3fbk h ASP 110 Cb 0.64 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 3fbk h ASP 110 CO 0.00 0.15 0.00 0.00 -1.57 0.00 0.00 179.24 177.82 3fbk n GLN 111 N -4.73 1.49 -2.62 3.56 3.00 -1.26 -2.26 117.38 114.56 3fbk n GLN 111 Ca 0.25 -0.74 -0.22 0.00 -0.01 0.00 0.00 57.00 56.27 3fbk n GLN 111 Cb 0.75 -1.38 0.08 0.00 0.00 0.00 0.00 30.24 29.69 3fbk n GLN 111 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3fbk s LYS 112 N -1.88 2.04 0.02 -1.09 1.02 0.01 -4.89 119.74 114.97 3fbk s LYS 112 Ca 0.32 -1.01 0.08 0.00 0.02 0.00 0.00 55.97 55.38 3fbk s LYS 112 Cb 0.17 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 3fbk s LYS 112 CO 0.26 -1.14 -0.23 1.03 -0.92 0.00 0.00 175.35 174.35 3fbk s ARG 113 N -4.98 1.63 -0.29 1.68 0.52 0.61 -1.61 118.95 116.50 3fbk s ARG 113 Ca 0.63 -0.93 -0.25 0.00 -0.52 0.00 0.00 55.73 54.65 3fbk s ARG 113 Cb -0.07 -1.70 0.00 0.00 0.52 0.00 0.00 34.95 33.70 3fbk s ARG 113 CO 0.42 0.45 0.88 -1.17 0.02 0.00 0.00 175.30 175.90 3fbk s LEU 114 N -0.97 4.05 -0.17 2.53 2.96 0.18 -0.94 118.68 126.32 3fbk s LEU 114 Ca 0.09 0.89 -0.08 0.00 -0.22 0.00 0.00 54.13 54.81 3fbk s LEU 114 Cb -0.09 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 3fbk s LEU 114 CO 0.01 -0.66 0.11 -0.22 -1.32 0.00 0.00 176.35 174.27 3fbk s LEU 115 N 3.11 4.11 -0.22 -0.68 2.96 0.53 -0.93 118.68 127.55 3fbk s LEU 115 Ca 0.37 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 3fbk s LEU 115 Cb -0.14 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.55 3fbk s LEU 115 CO 0.11 0.24 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.55 3fbk s VAL 116 N 0.00 2.23 -0.05 1.68 1.01 -1.26 -1.87 120.40 122.15 3fbk s VAL 116 Ca 0.08 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.90 3fbk s VAL 116 Cb -0.12 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 3fbk s VAL 116 CO 0.00 0.27 -0.20 -0.89 0.00 0.00 0.00 175.10 174.28 3fbk s THR 117 N 1.22 1.67 -0.22 3.92 2.01 -0.34 -4.34 115.64 119.56 3fbk s THR 117 Ca -0.01 -0.85 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 3fbk s THR 117 Cb -0.16 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 3fbk s THR 117 CO -0.09 0.47 0.13 -0.69 -0.69 0.00 0.00 174.62 173.75 3fbk s VAL 118 N -0.05 5.18 0.14 3.82 1.01 0.00 -0.19 120.40 130.30 3fbk s VAL 118 Ca -0.04 0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.15 3fbk s VAL 118 Cb -0.12 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3fbk s VAL 118 CO 0.03 0.39 -0.17 0.26 0.00 0.00 0.00 175.10 175.61 3fbk s TRP 119 N 0.82 2.54 -0.43 5.22 0.52 -0.14 -0.95 118.94 126.52 3fbk s TRP 119 Ca 0.07 -0.26 -0.11 0.00 0.02 0.00 0.00 56.10 55.81 3fbk s TRP 119 Cb -0.13 -1.32 0.07 0.00 -1.15 0.00 0.00 33.47 30.95 3fbk s TRP 119 CO 0.02 0.42 0.30 1.21 0.02 0.00 0.00 176.95 178.92 3fbk s ASN 120 N -2.32 5.80 0.33 2.95 2.47 0.77 -1.79 114.94 123.15 3fbk s ASN 120 Ca 0.20 -1.43 -0.29 0.00 0.42 0.00 0.00 52.86 51.75 3fbk s ASN 120 Cb -0.10 -2.05 -0.11 0.00 -1.45 0.00 0.00 41.25 37.54 3fbk s ASN 120 CO 0.11 -0.57 1.49 -0.60 -3.72 0.00 0.00 177.10 173.82 3fbk s ARG 121 N 1.50 4.16 0.25 0.43 3.52 0.15 -1.97 118.95 126.98 3fbk s ARG 121 Ca 0.03 2.50 0.10 0.00 -0.13 0.00 0.00 55.73 58.24 3fbk s ARG 121 Cb -0.23 -3.01 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 3fbk s ARG 121 CO 0.04 -0.51 -0.18 0.00 -0.81 0.00 0.00 175.30 173.84 3fbk s ALA 122 N -0.65 2.44 0.41 6.12 0.00 -1.26 -4.80 121.76 124.03 3fbk s ALA 122 Ca 0.56 -1.79 0.15 0.00 0.00 0.00 0.00 51.96 50.88 3fbk s ALA 122 Cb -0.46 -0.19 1.02 0.00 0.00 0.00 0.00 23.12 23.49 3fbk s ALA 122 CO 0.55 0.19 1.90 0.66 0.00 0.00 0.00 175.76 179.07 3fbk h SER 123 N 2.40 0.43 -3.29 0.00 4.64 -1.96 -3.36 113.55 112.41 3fbk h SER 123 Ca -0.39 0.03 -0.67 0.00 -0.47 0.00 0.00 61.79 60.29 3fbk h SER 123 Cb 1.24 -0.06 -0.30 0.00 -0.31 0.00 0.00 62.40 62.97 3fbk h SER 123 CO 0.61 0.22 -0.81 -1.58 -0.87 0.00 0.00 176.83 174.40 3fbk s GLN 124 N -5.45 3.22 0.29 4.77 0.74 -1.26 -5.03 119.66 116.93 3fbk s GLN 124 Ca -0.08 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 54.57 3fbk s GLN 124 Cb 0.21 -2.58 0.68 0.00 1.10 0.00 0.00 33.01 32.42 3fbk s GLN 124 CO 0.77 0.08 1.62 0.77 -0.55 0.00 0.00 175.29 177.98 3fbk h SER 125 N 7.10 -0.22 0.00 6.67 0.02 -1.99 0.71 113.55 125.84 3fbk h SER 125 Ca -0.29 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3fbk h SER 125 Cb 1.20 0.35 0.00 0.00 0.14 0.00 0.00 62.40 64.09 3fbk h SER 125 CO 0.55 -0.23 0.09 0.08 -1.14 0.00 0.00 176.83 176.18 3fbk h ARG 126 N 0.12 0.00 -0.00 3.45 0.11 -1.96 0.38 114.38 116.48 3fbk h ARG 126 Ca 0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.62 3fbk h ARG 126 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 3fbk h ARG 126 CO -0.74 0.00 -0.48 1.04 0.10 0.00 0.00 179.97 179.89 3fbk n GLN 127 N -2.96 0.35 -2.07 0.08 3.00 0.24 -4.91 117.38 111.11 3fbk n GLN 127 Ca -0.03 -0.23 -0.42 0.00 -0.01 0.00 0.00 57.00 56.32 3fbk n GLN 127 Cb 0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.87 3fbk n GLN 127 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 3fbk s SER 128 N -2.80 6.73 0.19 1.08 0.01 0.12 -4.69 113.70 114.34 3fbk s SER 128 Ca 0.16 2.44 -0.05 0.00 1.31 0.00 0.00 55.95 59.81 3fbk s SER 128 Cb 0.18 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 3fbk s SER 128 CO 0.65 -0.72 0.43 -0.83 0.41 0.00 0.00 173.24 173.18 3fbk s GLY 129 N 1.13 2.13 -0.16 3.44 0.00 -0.83 -4.87 107.32 108.17 3fbk s GLY 129 Ca 0.67 -0.54 -0.22 0.00 0.00 0.00 0.00 44.72 44.62 3fbk s GLY 129 CO 0.31 -0.45 0.68 -2.27 0.00 0.00 0.00 173.10 171.37 3fbk s LEU 130 N -2.90 4.20 -0.17 0.66 0.20 -1.26 -0.16 118.68 119.24 3fbk s LEU 130 Ca 0.42 0.99 -0.22 0.00 0.69 0.00 0.00 54.13 56.02 3fbk s LEU 130 Cb -0.12 -3.00 -0.19 0.00 -0.43 0.00 0.00 46.19 42.45 3fbk s LEU 130 CO 0.25 -0.25 0.36 0.40 -0.29 0.00 0.00 176.35 176.82 3fbk h ILE 131 N 5.06 1.09 -1.58 6.68 2.04 -1.36 -3.47 117.51 125.97 3fbk h ILE 131 Ca -0.34 -2.07 0.29 0.00 1.00 0.00 0.00 64.86 63.74 3fbk h ILE 131 Cb 1.15 2.32 -0.13 0.00 -0.74 0.00 0.00 36.82 39.42 3fbk h ILE 131 CO 0.78 0.37 0.78 -0.83 0.00 0.00 0.00 178.15 179.25 3fbk s GLY 132 N -4.51 -0.37 0.00 5.37 0.00 -1.18 -4.69 107.32 101.94 3fbk s GLY 132 Ca -0.23 0.82 -0.00 0.00 0.00 0.00 0.00 44.72 45.31 3fbk s GLY 132 CO 0.56 0.20 0.00 0.00 0.00 0.00 0.00 173.10 173.86 3fbk s SER 135 N -1.01 -0.42 -0.02 0.00 1.04 -0.40 -0.42 113.70 112.47 3fbk s SER 135 Ca 0.00 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.43 3fbk s SER 135 Cb -0.00 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.59 3fbk s SER 135 CO 0.00 -0.74 -0.04 -0.36 0.98 0.00 0.00 173.24 173.08 3fbk s PHE 136 N -3.33 0.53 0.24 5.02 0.08 -0.11 -3.35 117.98 117.06 3fbk s PHE 136 Ca 0.04 -0.11 -0.30 0.00 0.12 0.00 0.00 56.93 56.68 3fbk s PHE 136 Cb -0.01 -0.46 -0.10 0.00 -0.57 0.00 0.00 43.02 41.89 3fbk s PHE 136 CO -0.10 -0.10 1.42 0.20 -0.10 0.00 0.00 175.22 176.54 3fbk s GLY 137 N 0.52 2.34 0.11 4.36 0.00 -1.26 0.47 107.32 113.86 3fbk s GLY 137 Ca -0.06 1.30 -0.19 0.00 0.00 0.00 0.00 44.72 45.77 3fbk s GLY 137 CO -0.00 2.25 1.67 -2.08 0.00 0.00 0.00 173.10 174.94 3fbk h VAL 138 N 3.56 1.15 -0.60 1.40 2.07 -1.46 -2.19 116.25 120.18 3fbk h VAL 138 Ca -0.46 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 66.63 3fbk h VAL 138 Cb 1.22 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3fbk h VAL 138 CO 0.78 0.16 0.38 0.50 0.02 0.00 0.00 177.57 179.40 3fbk h LYS 139 N 0.29 0.75 -0.21 1.57 3.64 -1.69 -2.05 116.57 118.85 3fbk h LYS 139 Ca 0.09 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3fbk h LYS 139 Cb 0.14 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3fbk h LYS 139 CO -0.01 0.49 -0.05 1.03 -2.27 0.00 0.00 179.45 178.65 3fbk h SER 140 N 0.77 0.29 0.20 4.20 0.87 -1.84 -1.90 113.55 116.14 3fbk h SER 140 Ca 0.23 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 3fbk h SER 140 Cb -0.04 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3fbk h SER 140 CO -0.07 0.39 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.41 3fbk h LEU 141 N 0.31 0.00 -0.25 2.23 3.38 -0.72 -1.49 115.31 118.77 3fbk h LEU 141 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3fbk h LEU 141 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3fbk h LEU 141 CO 0.01 0.13 0.00 0.18 0.09 0.00 0.00 178.44 178.86 3fbk n LEU 142 N -4.10 0.38 0.00 1.67 4.77 -0.72 -4.54 117.00 114.46 3fbk n LEU 142 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3fbk n LEU 142 Cb 0.21 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3fbk n LEU 142 CO 0.34 0.07 0.00 1.07 -1.33 0.00 0.00 177.39 177.53 3fbk n THR 143 N -0.67 0.00 -0.63 -5.08 5.66 -0.56 -5.07 114.28 107.93 3fbk n THR 143 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 3fbk n THR 143 Cb 0.16 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 3fbk n THR 143 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3fbk n LYS 146 N 0.00 -1.31 -3.89 1.09 3.00 -1.26 -5.13 118.16 110.66 3fbk n LYS 146 Ca 0.00 1.10 -0.30 0.00 -0.00 0.00 0.00 58.31 59.10 3fbk n LYS 146 Cb 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 35.03 33.86 3fbk n LYS 146 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3fbk s GLU 147 N -3.09 1.21 -0.49 1.64 2.12 -1.26 -5.02 118.70 113.81 3fbk s GLU 147 Ca 0.00 -1.64 -0.20 0.00 0.36 0.00 0.00 54.97 53.50 3fbk s GLU 147 Cb 0.00 -2.70 0.05 0.00 0.26 0.00 0.00 34.13 31.74 3fbk s GLU 147 CO 0.00 -0.99 0.64 0.42 -0.54 0.00 0.00 175.26 174.79 3fbk s ILE 148 N 1.05 4.85 -0.30 -3.70 -1.09 -1.26 -4.96 121.20 115.79 3fbk s ILE 148 Ca 0.11 -0.36 -0.07 0.00 -2.23 0.00 0.00 60.65 58.11 3fbk s ILE 148 Cb -0.19 -4.29 0.18 0.00 -1.58 0.00 0.00 42.46 36.59 3fbk s ILE 148 CO -0.13 -0.77 0.80 -0.55 -1.23 0.00 0.00 174.94 173.05 3fbk s SER 149 N 2.56 -0.97 0.00 3.58 0.15 -1.25 -1.25 113.70 116.51 3fbk s SER 149 Ca 0.17 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.45 3fbk s SER 149 Cb -0.18 1.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.95 3fbk s SER 149 CO 0.13 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.00 3fbk n GLY 150 N 5.44 0.89 3.77 9.45 0.00 -0.42 -5.01 105.19 119.32 3fbk n GLY 150 Ca -0.04 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 3fbk n GLY 150 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fbk s TRP 151 N -2.96 3.74 0.10 1.61 0.52 -1.26 -1.17 118.94 119.51 3fbk s TRP 151 Ca 0.00 1.29 0.05 0.00 0.02 0.00 0.00 56.10 57.46 3fbk s TRP 151 Cb 0.00 -2.62 -0.03 0.00 -1.15 0.00 0.00 33.47 29.66 3fbk s TRP 151 CO 0.00 0.41 -0.13 0.71 0.02 0.00 0.00 176.95 177.96 3fbk s TYR 152 N -0.46 1.26 0.28 -1.98 2.02 0.81 -0.38 117.35 118.89 3fbk s TYR 152 Ca 0.32 -0.54 -0.22 0.00 -0.37 0.00 0.00 57.07 56.27 3fbk s TYR 152 Cb -0.19 -0.68 -0.09 0.00 -0.40 0.00 0.00 41.96 40.60 3fbk s TYR 152 CO 0.19 0.08 0.82 0.71 -1.57 0.00 0.00 175.55 175.78 3fbk s TYR 153 N -1.85 3.62 -0.32 2.71 2.02 0.26 -0.40 117.35 123.39 3fbk s TYR 153 Ca 0.04 1.53 -0.20 0.00 -0.37 0.00 0.00 57.07 58.07 3fbk s TYR 153 Cb -0.07 -2.73 -0.01 0.00 -0.40 0.00 0.00 41.96 38.76 3fbk s TYR 153 CO 0.02 0.24 0.59 -0.51 -1.57 0.00 0.00 175.55 174.33 3fbk s LEU 154 N -2.16 4.21 0.61 -1.29 1.43 0.44 -4.63 118.68 117.28 3fbk s LEU 154 Ca 0.48 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 3fbk s LEU 154 Cb -0.16 -2.74 0.09 0.00 0.03 0.00 0.00 46.19 43.41 3fbk s LEU 154 CO 0.21 -0.49 0.85 -0.76 0.23 0.00 0.00 176.35 176.39 3fbk s LEU 155 N 2.55 3.14 0.87 1.79 1.43 0.44 -1.51 118.68 127.40 3fbk s LEU 155 Ca 0.23 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 3fbk s LEU 155 Cb -0.15 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.11 3fbk s LEU 155 CO 0.13 -1.46 1.09 -0.83 0.23 0.00 0.00 176.35 175.51 3fbk s GLY 156 N -4.62 1.64 0.61 -3.19 0.00 -1.25 -0.85 107.32 99.65 3fbk s GLY 156 Ca 0.62 0.11 0.29 0.00 0.00 0.00 0.00 44.72 45.74 3fbk s GLY 156 CO 0.40 0.56 1.89 1.05 0.00 0.00 0.00 173.10 177.00 3fbk h GLU 157 N -1.49 0.00 0.00 2.90 4.11 -1.92 0.58 114.58 118.75 3fbk h GLU 157 Ca -0.47 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.77 3fbk h GLU 157 Cb 1.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 3fbk h GLU 157 CO 0.52 0.00 -1.61 0.72 0.07 0.00 0.00 179.01 178.71 3fbk n HIS 158 N -3.49 0.00 -0.32 2.06 8.25 -1.26 -4.53 115.22 115.93 3fbk n HIS 158 Ca 0.06 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.57 3fbk n HIS 158 Cb 0.60 -0.69 0.21 0.00 1.12 0.00 0.00 29.99 31.22 3fbk n HIS 158 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3fbk h LEU 159 N -0.99 0.76 -2.73 2.41 5.85 -1.90 -2.32 115.31 116.39 3fbk h LEU 159 Ca -0.28 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3fbk h LEU 159 Cb 1.24 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 3fbk h LEU 159 CO -0.17 0.40 -0.00 1.23 -0.34 0.00 0.00 178.44 179.56 3fbk h GLY 160 N 0.85 0.00 0.87 3.75 0.00 -1.08 -0.88 103.07 106.58 3fbk h GLY 160 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3fbk h GLY 160 CO -0.27 0.00 -0.07 0.54 0.00 0.00 0.00 176.54 176.74 3fbk n ARG 161 N -3.12 0.80 -0.00 4.80 1.74 -0.87 -1.27 116.66 118.73 3fbk n ARG 161 Ca -0.02 -0.23 0.04 0.00 -0.77 0.00 0.00 57.85 56.87 3fbk n ARG 161 Cb 0.11 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.99 3fbk n ARG 161 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3fbk n THR 162 N -0.90 0.00 -3.51 0.55 -2.24 -0.34 -4.87 114.28 102.97 3fbk n THR 162 Ca 0.16 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.71 3fbk n THR 162 Cb 0.25 0.51 0.01 0.00 -2.10 0.00 0.00 70.33 69.00 3fbk n THR 162 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3fbk n LYS 163 N -1.62 0.18 -4.01 -0.78 2.85 -1.17 -4.98 118.16 108.64 3fbk n LYS 163 Ca -0.01 -0.40 -0.08 0.00 -1.05 0.00 0.00 58.31 56.77 3fbk n LYS 163 Cb 0.20 0.54 -0.09 0.00 -0.65 0.00 0.00 35.03 35.02 3fbk n LYS 163 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 3fbk s HIS 164 N -5.28 0.38 -0.11 5.58 -3.43 -1.21 -1.31 115.29 109.91 3fbk s HIS 164 Ca 0.06 -0.86 -0.04 0.00 -0.80 0.00 0.00 55.06 53.42 3fbk s HIS 164 Cb -0.01 -0.27 0.05 0.00 -1.43 0.00 0.00 32.58 30.93 3fbk s HIS 164 CO 0.02 -0.41 0.14 -0.51 -2.00 0.00 0.00 174.74 171.97 3fbk s LEU 165 N -2.77 0.04 0.58 5.38 1.43 -1.26 -5.02 118.68 117.06 3fbk s LEU 165 Ca 0.04 0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 3fbk s LEU 165 Cb 0.06 0.11 -0.05 0.00 0.03 0.00 0.00 46.19 46.33 3fbk s LEU 165 CO -0.09 -0.28 1.02 -1.59 0.23 0.00 0.00 176.35 175.64 3fbk s LYS 166 N 2.24 3.60 -0.42 1.70 -2.85 -1.26 -0.57 119.74 122.18 3fbk s LYS 166 Ca 0.04 0.98 -0.24 0.00 -1.00 0.00 0.00 55.97 55.75 3fbk s LYS 166 Cb -0.13 -2.08 0.02 0.00 -2.06 0.00 0.00 37.83 33.57 3fbk s LYS 166 CO -0.07 -0.56 0.81 0.08 0.10 0.00 0.00 175.35 175.71 3fbk s VAL 167 N -2.74 4.65 0.21 1.79 1.01 0.49 -4.74 120.40 121.06 3fbk s VAL 167 Ca 0.59 0.68 -0.32 0.00 0.00 0.00 0.00 61.98 62.94 3fbk s VAL 167 Cb -0.12 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 31.82 3fbk s VAL 167 CO 0.40 -0.62 1.29 0.00 0.00 0.00 0.00 175.10 176.17 3fbk n ALA 168 N 6.69 0.25 0.08 5.51 0.00 -1.26 -4.75 120.51 127.03 3fbk n ALA 168 Ca 0.03 0.43 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 3fbk n ALA 168 Cb 0.48 -2.16 -0.14 0.00 0.00 0.00 0.00 19.45 17.64 3fbk n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fbk h ARG 169 N 3.81 0.19 -5.76 0.00 3.08 -1.97 -3.48 114.38 110.25 3fbk h ARG 169 Ca -0.44 -0.33 -0.34 0.00 0.07 0.00 0.00 59.98 58.94 3fbk h ARG 169 Cb 1.31 0.12 0.14 0.00 0.08 0.00 0.00 29.97 31.62 3fbk h ARG 169 CO 0.73 1.13 -0.83 0.54 -1.07 0.00 0.00 179.97 180.47 3fbk n ARG 170 N -3.46 -4.17 -0.63 0.04 1.74 -1.26 -5.28 116.66 103.64 3fbk n ARG 170 Ca -0.08 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 3fbk n ARG 170 Cb 1.01 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.96 3fbk n ARG 170 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65