#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avm s GLN 2 N 0.00 3.76 -0.25 0.54 0.74 -1.26 -5.09 119.66 118.10 2avm s GLN 2 Ca 0.00 -0.44 -0.05 0.00 0.05 0.00 0.00 55.36 54.93 2avm s GLN 2 Cb 0.00 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.84 2avm s GLN 2 CO 0.00 -0.01 0.00 0.42 -0.55 0.00 0.00 175.29 175.15 2avm s ILE 3 N 1.14 3.58 0.87 -2.34 1.01 -1.26 -5.11 121.20 119.10 2avm s ILE 3 Ca 0.04 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 2avm s ILE 3 Cb -0.14 -2.73 0.12 0.00 0.01 0.00 0.00 42.46 39.71 2avm s ILE 3 CO 0.03 0.27 1.19 0.42 0.00 0.00 0.00 174.94 176.85 2avm s THR 4 N 1.48 1.99 -0.13 2.92 -4.23 -1.26 -5.02 115.64 111.38 2avm s THR 4 Ca 0.04 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.73 2avm s THR 4 Cb -0.16 -2.91 0.30 0.00 1.34 0.00 0.00 72.50 71.07 2avm s THR 4 CO -0.01 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.40 2avm n LEU 5 N -3.56 2.37 0.19 4.79 4.77 -1.26 -4.63 117.00 119.67 2avm n LEU 5 Ca 0.09 -3.14 0.05 0.00 -0.03 0.00 0.00 56.01 52.98 2avm n LEU 5 Cb 0.60 -0.44 0.48 0.00 -2.33 0.00 0.00 43.42 41.73 2avm n LEU 5 CO 0.55 0.76 0.92 -0.50 -1.33 0.00 0.00 177.39 177.79 2avm h TRP 6 N 0.07 0.09 -2.88 -1.77 4.06 -2.06 -3.44 115.95 110.03 2avm h TRP 6 Ca -0.00 -0.01 -0.47 0.00 2.06 0.00 0.00 58.89 60.48 2avm h TRP 6 Cb 1.00 -0.03 -0.14 0.00 -1.00 0.00 0.00 29.16 29.00 2avm h TRP 6 CO 0.05 0.23 -0.61 -1.59 -3.56 0.00 0.00 178.44 172.96 2avm s LYS 7 N -4.73 1.63 0.27 0.49 -2.85 -1.26 -5.11 119.74 108.17 2avm s LYS 7 Ca -0.05 -1.90 -0.31 0.00 -1.00 0.00 0.00 55.97 52.72 2avm s LYS 7 Cb 0.16 -0.85 -0.12 0.00 -2.06 0.00 0.00 37.83 34.95 2avm s LYS 7 CO 0.71 -0.18 1.54 0.54 0.10 0.00 0.00 175.35 178.05 2avm n ARG 8 N -0.67 2.46 -2.75 1.78 1.74 -1.26 -4.87 116.66 113.08 2avm n ARG 8 Ca -0.02 0.87 -0.43 0.00 -0.77 0.00 0.00 57.85 57.50 2avm n ARG 8 Cb 0.66 -2.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.47 2avm n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2avm s PRO 9 N -0.35 3.76 -0.05 5.56 0.04 -1.26 -4.97 135.00 137.72 2avm s PRO 9 Ca 0.66 -1.75 -0.09 0.00 0.04 0.00 0.00 61.00 59.86 2avm s PRO 9 Cb -0.55 -5.20 -0.05 0.00 0.04 0.00 0.00 34.50 28.74 2avm s PRO 9 CO 0.48 -2.00 0.26 -0.51 0.04 0.00 0.00 177.00 175.27 2avm s LEU 10 N 3.49 4.41 0.09 -3.56 1.43 -1.26 -1.03 118.68 122.25 2avm s LEU 10 Ca 0.43 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 2avm s LEU 10 Cb -0.01 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2avm s LEU 10 CO -0.05 0.34 -0.06 0.68 0.23 0.00 0.00 176.35 177.49 2avm s VAL 11 N -1.11 0.66 0.02 -1.59 -7.23 -0.01 -4.96 120.40 106.19 2avm s VAL 11 Ca 0.21 -1.88 -0.21 0.00 -1.81 0.00 0.00 61.98 58.29 2avm s VAL 11 Cb -0.14 -1.61 -0.06 0.00 0.56 0.00 0.00 36.38 35.13 2avm s VAL 11 CO 0.10 -0.85 0.60 -0.89 -0.31 0.00 0.00 175.10 173.75 2avm s THR 12 N -3.51 4.86 0.24 5.32 2.01 -1.26 -0.84 115.64 122.46 2avm s THR 12 Ca 0.10 1.27 0.10 0.00 0.31 0.00 0.00 61.69 63.47 2avm s THR 12 Cb 0.05 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 2avm s THR 12 CO -0.05 0.44 -0.18 0.27 -0.69 0.00 0.00 174.62 174.42 2avm s ILE 13 N -0.38 2.19 -0.14 1.82 -4.36 0.47 -4.18 121.20 116.61 2avm s ILE 13 Ca 0.31 -2.30 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 2avm s ILE 13 Cb -0.19 -2.18 0.01 0.00 1.25 0.00 0.00 42.46 41.36 2avm s ILE 13 CO 0.18 -0.45 -0.20 -0.75 0.24 0.00 0.00 174.94 173.96 2avm s LYS 14 N -3.48 2.82 -0.13 0.37 2.20 -0.06 -1.17 119.74 120.29 2avm s LYS 14 Ca 0.26 -0.78 -0.07 0.00 -0.36 0.00 0.00 55.97 55.02 2avm s LYS 14 Cb -0.04 -2.33 0.05 0.00 -1.51 0.00 0.00 37.83 34.01 2avm s LYS 14 CO 0.12 -0.06 0.32 -1.50 -0.36 0.00 0.00 175.35 173.87 2avm s ILE 15 N 0.94 -0.03 -1.53 5.43 2.07 -0.24 -1.50 121.20 126.35 2avm s ILE 15 Ca -0.05 0.12 -0.03 0.00 -1.41 0.00 0.00 60.65 59.28 2avm s ILE 15 Cb -0.15 -0.48 0.01 0.00 0.13 0.00 0.00 42.46 41.97 2avm s ILE 15 CO -0.04 0.05 0.28 0.61 -1.91 0.00 0.00 174.94 173.93 2avm n GLY 16 N 4.18 -0.51 2.60 1.50 0.00 -1.26 -0.75 105.19 110.95 2avm n GLY 16 Ca -0.24 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2avm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avm n GLY 17 N -1.19 0.86 3.48 -0.02 0.00 -1.26 -5.02 105.19 102.04 2avm n GLY 17 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2avm n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2avm s GLN 18 N -0.05 1.87 -0.12 1.61 -0.21 0.07 -5.12 119.66 117.70 2avm s GLN 18 Ca 0.00 -1.12 -0.12 0.00 0.02 0.00 0.00 55.36 54.14 2avm s GLN 18 Cb 0.00 -2.14 -0.05 0.00 1.00 0.00 0.00 33.01 31.82 2avm s GLN 18 CO 0.00 0.50 0.25 -0.51 -2.12 0.00 0.00 175.29 173.41 2avm s LEU 19 N -1.96 4.32 0.06 2.90 1.43 -1.26 -1.07 118.68 123.11 2avm s LEU 19 Ca 0.17 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 2avm s LEU 19 Cb -0.11 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2avm s LEU 19 CO 0.09 0.24 -0.04 -0.54 0.23 0.00 0.00 176.35 176.32 2avm s LYS 20 N -0.25 0.66 -0.08 1.70 1.02 -0.32 -4.99 119.74 117.47 2avm s LYS 20 Ca 0.16 -1.19 -0.10 0.00 0.02 0.00 0.00 55.97 54.87 2avm s LYS 20 Cb -0.13 0.04 -0.05 0.00 -0.52 0.00 0.00 37.83 37.17 2avm s LYS 20 CO 0.05 -0.07 0.23 -1.21 -0.92 0.00 0.00 175.35 173.43 2avm s GLU 21 N -3.60 3.62 0.05 1.68 0.41 -1.26 -0.40 118.70 119.20 2avm s GLU 21 Ca 0.06 0.04 -0.08 0.00 -0.41 0.00 0.00 54.97 54.58 2avm s GLU 21 Cb 0.05 -3.21 -0.00 0.00 -1.78 0.00 0.00 34.13 29.19 2avm s GLU 21 CO -0.07 0.73 0.16 0.00 -0.49 0.00 0.00 175.26 175.59 2avm s ALA 22 N -0.99 -0.24 -0.15 5.21 0.00 -0.02 -4.53 121.76 121.03 2avm s ALA 22 Ca 0.18 -0.42 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 2avm s ALA 22 Cb -0.13 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2avm s ALA 22 CO 0.07 -0.37 0.43 -1.17 0.00 0.00 0.00 175.76 174.72 2avm s LEU 23 N -2.21 4.23 -0.33 0.00 2.96 0.18 -0.83 118.68 122.69 2avm s LEU 23 Ca -0.04 0.67 -0.29 0.00 -0.22 0.00 0.00 54.13 54.26 2avm s LEU 23 Cb -0.00 -2.59 0.00 0.00 0.50 0.00 0.00 46.19 44.10 2avm s LEU 23 CO -0.05 -0.01 1.38 -0.63 -1.32 0.00 0.00 176.35 175.72 2avm s ILE 24 N 0.83 4.00 -0.42 6.68 1.01 -0.20 -0.63 121.20 132.47 2avm s ILE 24 Ca 0.22 1.09 0.03 0.00 0.00 0.00 0.00 60.65 62.00 2avm s ILE 24 Cb -0.15 -4.11 0.12 0.00 0.01 0.00 0.00 42.46 38.34 2avm s ILE 24 CO 0.08 -0.54 0.17 -0.62 0.00 0.00 0.00 174.94 174.03 2avm s ASP 25 N 3.39 4.25 0.39 3.58 2.15 -0.47 -4.78 116.67 125.17 2avm s ASP 25 Ca 0.60 -2.46 0.28 0.00 0.43 0.00 0.00 52.55 51.40 2avm s ASP 25 Cb -0.17 -1.38 1.33 0.00 -0.30 0.00 0.00 42.92 42.40 2avm s ASP 25 CO 0.27 -0.31 1.84 0.71 -0.17 0.00 0.00 175.17 177.51 2avm h THR 26 N 5.92 0.00 -0.11 1.71 1.35 -1.93 -1.51 112.91 118.34 2avm h THR 26 Ca -0.06 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2avm h THR 26 Cb 0.96 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2avm h THR 26 CO 0.56 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 2avm n GLY 27 N -0.59 -0.34 3.39 5.82 0.00 -1.26 -4.82 105.19 107.38 2avm n GLY 27 Ca -0.00 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 2avm n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avm s ALA 28 N -1.86 2.83 0.26 4.61 0.00 -0.57 -5.00 121.76 122.04 2avm s ALA 28 Ca 0.24 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2avm s ALA 28 Cb 0.12 -1.54 0.36 0.00 0.00 0.00 0.00 23.12 22.06 2avm s ALA 28 CO 0.19 -0.06 1.72 -0.44 0.00 0.00 0.00 175.76 177.17 2avm h ASP 29 N 7.31 0.60 -2.55 0.00 3.32 -1.88 0.39 116.42 123.63 2avm h ASP 29 Ca -0.34 -0.19 -0.55 0.00 0.02 0.00 0.00 57.03 55.97 2avm h ASP 29 Cb 1.18 -0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.43 2avm h ASP 29 CO 0.60 0.80 -0.72 -1.81 -1.72 0.00 0.00 179.24 176.38 2avm s ASP 30 N -6.76 3.21 -0.16 6.45 1.01 -1.26 -2.65 116.67 116.50 2avm s ASP 30 Ca -0.08 -1.08 -0.14 0.00 0.71 0.00 0.00 52.55 51.95 2avm s ASP 30 Cb 0.14 -0.24 -0.05 0.00 1.01 0.00 0.00 42.92 43.78 2avm s ASP 30 CO 0.80 -0.12 0.32 -0.89 0.21 0.00 0.00 175.17 175.49 2avm s THR 31 N -2.73 5.29 -0.09 -1.27 2.01 -1.26 -3.30 115.64 114.28 2avm s THR 31 Ca 0.28 0.60 -0.00 0.00 0.31 0.00 0.00 61.69 62.88 2avm s THR 31 Cb -0.01 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.87 2avm s THR 31 CO 0.13 0.37 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.68 2avm s VAL 32 N 0.59 0.76 0.05 3.82 1.01 -0.22 -0.95 120.40 125.46 2avm s VAL 32 Ca 0.18 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.10 2avm s VAL 32 Cb -0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2avm s VAL 32 CO 0.05 0.32 -0.25 -0.63 0.00 0.00 0.00 175.10 174.59 2avm s ILE 33 N 1.67 1.99 1.07 2.22 -1.09 0.29 -0.65 121.20 126.70 2avm s ILE 33 Ca 0.02 -1.36 -0.13 0.00 -2.23 0.00 0.00 60.65 56.95 2avm s ILE 33 Cb -0.13 -1.72 0.19 0.00 -1.58 0.00 0.00 42.46 39.22 2avm s ILE 33 CO -0.06 0.29 0.80 -1.84 -1.23 0.00 0.00 174.94 172.90 2avm n GLU 34 N 1.72 -1.51 -1.65 2.79 0.28 -1.26 -1.55 120.64 119.47 2avm n GLU 34 Ca -0.17 -0.40 -0.48 0.00 -0.16 0.00 0.00 57.16 55.95 2avm n GLU 34 Cb 0.52 -2.10 -0.05 0.00 1.43 0.00 0.00 31.44 31.24 2avm n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2avm n GLU 35 N -3.86 1.84 -3.56 3.44 -0.58 -1.23 -4.56 120.64 112.13 2avm n GLU 35 Ca 0.05 0.67 -0.09 0.00 -0.42 0.00 0.00 57.16 57.37 2avm n GLU 35 Cb 0.55 -2.40 -0.02 0.00 -0.57 0.00 0.00 31.44 29.00 2avm n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2avm s MET 36 N 0.88 1.19 0.13 3.49 0.23 -1.26 -5.05 119.30 118.91 2avm s MET 36 Ca 0.81 -0.52 -0.22 0.00 -1.03 0.00 0.00 55.69 54.73 2avm s MET 36 Cb -0.76 0.50 -0.07 0.00 -1.53 0.00 0.00 34.83 32.96 2avm s MET 36 CO 0.41 -0.53 0.67 -1.12 -2.03 0.00 0.00 175.02 172.42 2avm s SER 37 N -2.72 7.21 0.06 -1.18 0.01 -1.26 -5.03 113.70 110.79 2avm s SER 37 Ca 0.06 1.45 0.02 0.00 1.31 0.00 0.00 55.95 58.78 2avm s SER 37 Cb -0.02 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 2avm s SER 37 CO -0.06 0.23 -0.07 -0.76 0.41 0.00 0.00 173.24 172.98 2avm s LEU 38 N -1.19 2.34 0.62 2.44 1.43 -1.26 -4.89 118.68 118.18 2avm s LEU 38 Ca 0.33 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2avm s LEU 38 Cb -0.21 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 2avm s LEU 38 CO 0.22 -0.30 1.03 -2.16 0.23 0.00 0.00 176.35 175.37 2avm s PRO 39 N -2.36 3.54 0.23 1.29 0.04 -1.26 -4.97 135.00 131.50 2avm s PRO 39 Ca -0.03 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2avm s PRO 39 Cb -0.05 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2avm s PRO 39 CO -0.02 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2avm n GLY 40 N -2.76 -2.69 3.83 0.56 0.00 -1.26 -4.87 105.19 97.99 2avm n GLY 40 Ca 0.06 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 2avm n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2avm s ARG 41 N -0.57 3.53 0.18 1.61 0.52 -1.26 -5.07 118.95 117.89 2avm s ARG 41 Ca 0.00 0.99 0.00 0.00 -0.52 0.00 0.00 55.73 56.20 2avm s ARG 41 Cb 0.00 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 2avm s ARG 41 CO 0.00 -0.62 0.06 1.67 0.02 0.00 0.00 175.30 176.43 2avm s TRP 42 N -2.74 1.14 0.03 -0.53 1.48 -1.26 -4.48 118.94 112.58 2avm s TRP 42 Ca 0.59 -1.19 0.00 0.00 -1.06 0.00 0.00 56.10 54.45 2avm s TRP 42 Cb -0.13 -0.63 -0.03 0.00 -1.16 0.00 0.00 33.47 31.53 2avm s TRP 42 CO 0.41 -0.41 -0.04 -1.59 -4.06 0.00 0.00 176.95 171.26 2avm s LYS 43 N -4.02 0.43 0.56 3.25 -2.85 -0.92 -4.93 119.74 111.26 2avm s LYS 43 Ca 0.29 -0.81 -0.17 0.00 -1.00 0.00 0.00 55.97 54.28 2avm s LYS 43 Cb 0.07 0.08 -0.05 0.00 -2.06 0.00 0.00 37.83 35.87 2avm s LYS 43 CO 0.06 -0.05 1.04 -1.25 0.10 0.00 0.00 175.35 175.25 2avm s PRO 44 N -2.20 3.53 -0.02 1.78 0.04 -1.26 -0.47 135.00 136.40 2avm s PRO 44 Ca -0.08 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.04 2avm s PRO 44 Cb -0.05 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.44 2avm s PRO 44 CO -0.03 -0.63 0.23 0.21 0.04 0.00 0.00 177.00 176.81 2avm s LYS 45 N -3.90 0.52 -0.15 4.56 2.20 -0.51 -4.85 119.74 117.61 2avm s LYS 45 Ca 0.63 -0.16 -0.04 0.00 -0.36 0.00 0.00 55.97 56.04 2avm s LYS 45 Cb -0.15 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 2avm s LYS 45 CO 0.32 -0.13 -0.02 -1.64 -0.36 0.00 0.00 175.35 173.53 2avm s MET 46 N -1.05 3.64 -0.00 4.03 -1.94 -1.26 -0.83 119.30 121.88 2avm s MET 46 Ca -0.11 -0.48 0.06 0.00 -1.71 0.00 0.00 55.69 53.45 2avm s MET 46 Cb -0.05 -2.95 -0.02 0.00 2.01 0.00 0.00 34.83 33.82 2avm s MET 46 CO 0.02 0.30 -0.18 0.96 -0.01 0.00 0.00 175.02 176.12 2avm s ILE 47 N 0.21 1.40 0.23 2.53 -4.36 -0.51 -4.97 121.20 115.73 2avm s ILE 47 Ca -0.01 -0.83 0.06 0.00 -0.26 0.00 0.00 60.65 59.61 2avm s ILE 47 Cb -0.13 -1.18 -0.05 0.00 1.25 0.00 0.00 42.46 42.34 2avm s ILE 47 CO 0.02 0.33 -0.08 -0.83 0.24 0.00 0.00 174.94 174.63 2avm s GLY 48 N -0.58 1.56 0.00 6.27 0.00 -1.26 -1.02 107.32 112.29 2avm s GLY 48 Ca 0.06 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.03 2avm s GLY 48 CO -0.00 -1.75 0.00 0.61 0.00 0.00 0.00 173.10 171.96 2avm n GLY 49 N -0.44 1.14 3.74 0.20 0.00 -0.50 -4.98 105.19 104.34 2avm n GLY 49 Ca -0.07 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2avm n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2avm s ILE 50 N -0.89 2.43 0.00 -0.61 1.01 -1.26 -1.48 121.20 120.41 2avm s ILE 50 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.99 2avm s ILE 50 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2avm s ILE 50 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2avm n GLY 51 N 2.79 1.26 0.00 6.18 0.00 -1.26 -4.93 105.19 109.23 2avm n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2avm n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avm n GLY 52 N -2.00 0.14 3.56 -0.02 0.00 -0.55 -5.04 105.19 101.28 2avm n GLY 52 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 2avm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2avm s PHE 53 N 0.00 2.67 0.14 1.61 0.40 -1.26 -1.41 117.98 120.13 2avm s PHE 53 Ca 0.00 -0.20 0.07 0.00 -0.60 0.00 0.00 56.93 56.20 2avm s PHE 53 Cb 0.00 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 2avm s PHE 53 CO 0.00 0.45 -0.16 0.96 0.70 0.00 0.00 175.22 177.17 2avm s ILE 54 N -1.36 1.54 -0.10 0.64 -4.36 -0.19 -4.96 121.20 112.41 2avm s ILE 54 Ca 0.22 -1.80 -0.15 0.00 -0.26 0.00 0.00 60.65 58.66 2avm s ILE 54 Cb -0.10 -1.67 -0.05 0.00 1.25 0.00 0.00 42.46 41.89 2avm s ILE 54 CO 0.14 -0.37 0.36 -0.75 0.24 0.00 0.00 174.94 174.55 2avm s LYS 55 N -2.73 4.12 0.23 0.37 2.20 -1.26 -1.43 119.74 121.24 2avm s LYS 55 Ca 0.12 0.25 0.02 0.00 -0.36 0.00 0.00 55.97 56.00 2avm s LYS 55 Cb -0.05 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2avm s LYS 55 CO 0.04 0.39 0.04 0.14 -0.36 0.00 0.00 175.35 175.60 2avm s VAL 56 N -0.04 0.73 -0.18 4.02 -7.23 -0.01 -4.43 120.40 113.26 2avm s VAL 56 Ca 0.21 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 2avm s VAL 56 Cb -0.14 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2avm s VAL 56 CO 0.08 -0.24 0.05 -0.13 -0.31 0.00 0.00 175.10 174.55 2avm s ARG 57 N -3.95 3.94 -0.29 4.82 0.52 0.13 -1.43 118.95 122.69 2avm s ARG 57 Ca 0.31 -0.37 -0.14 0.00 -0.52 0.00 0.00 55.73 55.02 2avm s ARG 57 Cb 0.07 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 2avm s ARG 57 CO 0.09 0.27 0.31 -1.14 0.02 0.00 0.00 175.30 174.85 2avm s GLN 58 N 0.37 3.92 -0.10 3.54 0.74 0.38 -0.82 119.66 127.68 2avm s GLN 58 Ca 0.02 -0.15 0.00 0.00 0.05 0.00 0.00 55.36 55.28 2avm s GLN 58 Cb -0.13 -3.68 -0.02 0.00 1.10 0.00 0.00 33.01 30.28 2avm s GLN 58 CO 0.00 -0.29 -0.10 0.71 -0.55 0.00 0.00 175.29 175.07 2avm s TYR 59 N 1.96 2.87 0.28 1.67 1.51 -0.39 -2.16 117.35 123.09 2avm s TYR 59 Ca 0.12 -0.27 0.07 0.00 -1.01 0.00 0.00 57.07 55.97 2avm s TYR 59 Cb -0.16 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 2avm s TYR 59 CO 0.11 0.07 0.27 -0.51 -1.11 0.00 0.00 175.55 174.37 2avm s ASP 60 N -0.22 5.63 -1.34 2.29 1.01 -1.26 -0.93 116.67 121.86 2avm s ASP 60 Ca 0.02 -0.25 -0.07 0.00 0.71 0.00 0.00 52.55 52.95 2avm s ASP 60 Cb -0.13 -1.36 0.01 0.00 1.01 0.00 0.00 42.92 42.45 2avm s ASP 60 CO 0.03 -0.15 1.13 0.00 0.21 0.00 0.00 175.17 176.39 2avm n GLN 61 N -1.30 -7.56 -3.47 8.23 1.13 -1.16 -4.90 117.38 108.35 2avm n GLN 61 Ca -0.06 0.82 -0.37 0.00 -1.94 0.00 0.00 57.00 55.45 2avm n GLN 61 Cb 0.58 -5.86 -0.08 0.00 0.11 0.00 0.00 30.24 25.00 2avm n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2avm s ILE 62 N -3.33 5.25 0.07 5.09 -1.09 0.15 -4.80 121.20 122.54 2avm s ILE 62 Ca 0.47 0.59 -0.24 0.00 -2.23 0.00 0.00 60.65 59.24 2avm s ILE 62 Cb -0.21 -3.67 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 2avm s ILE 62 CO 0.74 0.31 0.72 -0.63 -1.23 0.00 0.00 174.94 174.85 2avm s ILE 63 N 0.98 4.66 0.09 2.92 1.01 -1.26 -1.45 121.20 128.15 2avm s ILE 63 Ca 0.17 1.55 0.01 0.00 0.00 0.00 0.00 60.65 62.38 2avm s ILE 63 Cb -0.14 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2avm s ILE 63 CO 0.06 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.75 2avm s ILE 64 N -0.46 0.61 -0.02 2.92 1.01 0.13 -4.50 121.20 120.88 2avm s ILE 64 Ca 0.36 -1.91 0.04 0.00 0.00 0.00 0.00 60.65 59.13 2avm s ILE 64 Cb -0.21 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2avm s ILE 64 CO 0.23 -0.89 -0.14 -0.70 0.00 0.00 0.00 174.94 173.44 2avm s GLU 65 N -3.85 1.27 -0.12 2.79 2.12 -0.56 -1.35 118.70 119.00 2avm s GLU 65 Ca 0.11 -0.49 -0.01 0.00 0.36 0.00 0.00 54.97 54.94 2avm s GLU 65 Cb 0.06 -1.18 0.03 0.00 0.26 0.00 0.00 34.13 33.29 2avm s GLU 65 CO -0.06 0.25 -0.05 0.42 -0.54 0.00 0.00 175.26 175.28 2avm s ILE 66 N -0.13 0.90 -1.47 -3.70 1.01 0.54 -0.88 121.20 117.46 2avm s ILE 66 Ca 0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 2avm s ILE 66 Cb -0.08 -0.98 0.06 0.00 0.01 0.00 0.00 42.46 41.47 2avm s ILE 66 CO 0.00 0.29 0.97 0.00 0.00 0.00 0.00 174.94 176.21 2avm n ALA 67 N 4.98 -1.41 -0.93 9.38 0.00 -1.26 -0.12 120.51 131.14 2avm n ALA 67 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2avm n ALA 67 Cb 0.50 -4.21 0.00 0.00 0.00 0.00 0.00 19.45 15.73 2avm n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2avm n GLY 68 N -1.71 0.81 3.36 0.00 0.00 -1.26 -4.96 105.19 101.42 2avm n GLY 68 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 2avm n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2avm s HIS 69 N -3.40 3.26 0.25 1.61 4.02 0.82 -5.06 115.29 116.80 2avm s HIS 69 Ca 0.00 -1.06 -0.23 0.00 1.02 0.00 0.00 55.06 54.78 2avm s HIS 69 Cb 0.00 -3.23 -0.09 0.00 -1.02 0.00 0.00 32.58 28.24 2avm s HIS 69 CO 0.00 -0.83 0.82 0.15 1.02 0.00 0.00 174.74 175.90 2avm s LYS 70 N 1.61 4.46 0.16 1.40 1.02 -1.26 -0.34 119.74 126.78 2avm s LYS 70 Ca 0.04 1.12 -0.09 0.00 0.02 0.00 0.00 55.97 57.05 2avm s LYS 70 Cb -0.25 -2.93 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2avm s LYS 70 CO 0.05 0.39 0.29 0.00 -0.92 0.00 0.00 175.35 175.17 2avm s ALA 71 N -1.48 -0.06 0.01 5.17 0.00 -0.46 -4.78 121.76 120.16 2avm s ALA 71 Ca 0.44 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.61 2avm s ALA 71 Cb -0.19 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 2avm s ALA 71 CO 0.23 -0.65 -0.14 -1.50 0.00 0.00 0.00 175.76 173.71 2avm s ILE 72 N -3.96 1.07 -1.06 0.00 2.07 -1.26 -0.70 121.20 117.37 2avm s ILE 72 Ca 0.16 -0.75 0.00 0.00 -1.41 0.00 0.00 60.65 58.65 2avm s ILE 72 Cb 0.03 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.69 2avm s ILE 72 CO -0.01 0.17 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 2avm n GLY 73 N 2.39 -1.10 3.75 1.50 0.00 -0.53 -4.91 105.19 106.30 2avm n GLY 73 Ca -0.16 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 2avm n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2avm s THR 74 N -3.00 3.97 -0.05 2.61 2.01 -1.26 -0.67 115.64 119.25 2avm s THR 74 Ca 0.00 1.95 0.03 0.00 0.31 0.00 0.00 61.69 63.98 2avm s THR 74 Cb 0.00 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.29 2avm s THR 74 CO 0.00 0.44 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.55 2avm s VAL 75 N -1.22 1.14 -0.11 3.82 1.01 -0.10 -4.50 120.40 120.43 2avm s VAL 75 Ca 0.43 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 2avm s VAL 75 Cb -0.26 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 2avm s VAL 75 CO 0.33 0.35 0.21 -0.76 0.00 0.00 0.00 175.10 175.22 2avm s LEU 76 N 0.44 4.36 -0.09 3.92 1.43 -0.12 -1.26 118.68 127.37 2avm s LEU 76 Ca -0.10 0.53 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2avm s LEU 76 Cb -0.14 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2avm s LEU 76 CO 0.03 0.33 -0.19 -0.69 0.23 0.00 0.00 176.35 176.05 2avm s VAL 77 N -0.67 1.68 -2.01 -1.59 1.01 -0.00 -0.55 120.40 118.27 2avm s VAL 77 Ca 0.16 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2avm s VAL 77 Cb -0.13 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2avm s VAL 77 CO 0.05 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2avm n GLY 78 N 3.70 -0.85 2.32 4.51 0.00 -0.59 -0.70 105.19 113.58 2avm n GLY 78 Ca -0.20 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 2avm n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2avm n PRO 79 N 0.00 3.50 -2.57 1.61 -0.04 -1.26 -3.58 135.00 132.66 2avm n PRO 79 Ca 0.00 -2.34 -0.40 0.00 -0.04 0.00 0.00 63.50 60.72 2avm n PRO 79 Cb 0.00 -2.53 -0.05 0.00 -0.04 0.00 0.00 33.50 30.88 2avm n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2avm s THR 80 N 0.56 3.75 0.30 0.52 -1.32 -1.26 -4.95 115.64 113.25 2avm s THR 80 Ca 0.64 1.71 0.31 0.00 -1.21 0.00 0.00 61.69 63.14 2avm s THR 80 Cb 0.23 -4.09 0.33 0.00 -1.51 0.00 0.00 72.50 67.46 2avm s THR 80 CO -0.08 0.39 2.04 -0.65 -2.21 0.00 0.00 174.62 174.11 2avm h PRO 81 N 4.17 0.00 -3.34 7.08 0.11 -1.98 -3.44 132.00 134.59 2avm h PRO 81 Ca -0.46 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 2avm h PRO 81 Cb 1.21 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.07 2avm h PRO 81 CO 0.68 0.09 -0.50 0.08 -0.21 0.00 0.00 178.00 178.14 2avm s VAL 82 N -3.93 0.02 0.13 3.15 1.01 -1.26 -5.12 120.40 114.41 2avm s VAL 82 Ca -0.01 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 2avm s VAL 82 Cb 0.11 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 36.12 2avm s VAL 82 CO 0.56 -0.09 1.28 0.20 0.00 0.00 0.00 175.10 177.05 2avm s ASN 83 N -0.24 6.97 -0.08 3.32 0.01 -1.26 -4.83 114.94 118.82 2avm s ASN 83 Ca -0.03 2.24 0.02 0.00 -0.71 0.00 0.00 52.86 54.38 2avm s ASN 83 Cb -0.03 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2avm s ASN 83 CO 0.01 -0.51 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.31 2avm s ILE 84 N 0.61 1.37 -0.33 0.60 1.01 0.17 -0.65 121.20 123.99 2avm s ILE 84 Ca 0.59 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 60.49 2avm s ILE 84 Cb -0.34 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 2avm s ILE 84 CO 0.33 0.41 0.36 -0.63 0.00 0.00 0.00 174.94 175.41 2avm s ILE 85 N 0.76 5.17 0.45 2.92 -1.09 0.20 -1.06 121.20 128.55 2avm s ILE 85 Ca -0.12 0.15 0.06 0.00 -2.23 0.00 0.00 60.65 58.51 2avm s ILE 85 Cb -0.16 -3.79 0.06 0.00 -1.58 0.00 0.00 42.46 37.00 2avm s ILE 85 CO 0.02 -0.04 0.52 0.61 -1.23 0.00 0.00 174.94 174.83 2avm n GLY 86 N 4.91 2.27 0.26 6.18 0.00 -1.21 -1.37 105.19 116.23 2avm n GLY 86 Ca -0.09 -2.23 0.07 0.00 0.00 0.00 0.00 46.02 43.76 2avm n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2avm h ARG 87 N 0.00 0.10 -0.18 1.61 3.08 -0.94 -1.54 114.38 116.50 2avm h ARG 87 Ca -0.24 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.84 2avm h ARG 87 Cb 0.99 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2avm h ARG 87 CO 0.35 0.10 0.13 -2.95 -1.07 0.00 0.00 179.97 176.53 2avm h ASN 88 N 0.10 0.07 0.05 7.04 -1.07 -1.77 -1.84 115.58 118.15 2avm h ASN 88 Ca 0.03 -0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.03 2avm h ASN 88 Cb 0.06 -0.02 -0.07 0.00 -2.07 0.00 0.00 38.32 36.23 2avm h ASN 88 CO -0.00 0.05 -2.33 0.18 0.07 0.00 0.00 177.43 175.39 2avm n LEU 89 N -4.50 0.57 -0.11 6.14 4.77 -0.83 -4.48 117.00 118.56 2avm n LEU 89 Ca 0.01 0.02 0.01 0.00 -0.03 0.00 0.00 56.01 56.02 2avm n LEU 89 Cb 0.21 0.23 0.29 0.00 -2.33 0.00 0.00 43.42 41.82 2avm n LEU 89 CO 0.35 0.56 1.13 -0.07 -1.33 0.00 0.00 177.39 178.02 2avm h LEU 90 N 0.00 0.69 -1.17 2.23 3.38 -0.99 -1.66 115.31 117.79 2avm h LEU 90 Ca -0.53 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.42 2avm h LEU 90 Cb 2.17 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.70 2avm h LEU 90 CO 0.02 0.57 0.57 0.71 0.09 0.00 0.00 178.44 180.39 2avm h THR 91 N 0.78 1.15 0.00 0.22 1.35 -1.57 -1.87 112.91 112.97 2avm h THR 91 Ca 0.20 -0.37 -0.10 0.00 -0.55 0.00 0.00 66.41 65.59 2avm h THR 91 Cb 0.04 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.42 2avm h THR 91 CO -0.03 0.20 -0.45 1.56 -0.25 0.00 0.00 175.52 176.54 2avm h GLN 92 N 1.08 0.00 -0.10 4.72 1.08 -1.53 -1.88 115.11 118.49 2avm h GLN 92 Ca 0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 2avm h GLN 92 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2avm h GLN 92 CO -0.10 0.45 0.00 0.44 -0.95 0.00 0.00 178.83 178.67 2avm n ILE 93 N -3.67 0.12 -1.72 2.54 -5.35 -1.11 -4.93 119.36 105.24 2avm n ILE 93 Ca -0.01 -0.32 -0.01 0.00 -0.27 0.00 0.00 62.75 62.14 2avm n ILE 93 Cb 0.53 0.49 -0.00 0.00 -1.74 0.00 0.00 39.64 38.92 2avm n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2avm n GLY 94 N 1.17 0.37 3.73 3.28 0.00 -0.70 -5.01 105.19 108.02 2avm n GLY 94 Ca 0.18 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 2avm n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avm s ALA 95 N -2.04 3.26 0.14 4.61 0.00 -0.72 -5.04 121.76 121.98 2avm s ALA 95 Ca 0.00 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.63 2avm s ALA 95 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2avm s ALA 95 CO 0.00 -0.11 -0.10 0.95 0.00 0.00 0.00 175.76 176.50 2avm s THR 96 N 0.15 1.13 -0.12 0.00 -4.23 -1.26 -4.71 115.64 106.60 2avm s THR 96 Ca 0.49 -2.04 -0.09 0.00 -1.18 0.00 0.00 61.69 58.86 2avm s THR 96 Cb -0.24 -1.82 -0.05 0.00 1.34 0.00 0.00 72.50 71.73 2avm s THR 96 CO 0.30 -0.75 0.20 -0.76 -0.54 0.00 0.00 174.62 173.07 2avm s LEU 97 N -3.14 4.36 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.73 2avm s LEU 97 Ca 0.16 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 2avm s LEU 97 Cb 0.03 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2avm s LEU 97 CO 0.00 0.32 -0.05 0.20 0.23 0.00 0.00 176.35 177.06 2avm s ASN 98 N -0.63 0.78 0.00 2.29 0.01 -1.26 -5.30 114.94 110.83 2avm s ASN 98 Ca 0.15 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 2avm s ASN 98 Cb -0.13 -0.27 0.00 0.00 0.41 0.00 0.00 41.25 41.26 2avm s ASN 98 CO 0.04 -0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.85