#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4v s GLN 2 N 0.00 0.17 -0.21 -0.52 0.74 -1.26 -5.11 119.66 113.47 3k4v s GLN 2 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 55.36 55.43 3k4v s GLN 2 Cb 0.00 -0.25 0.03 0.00 1.10 0.00 0.00 33.01 33.89 3k4v s GLN 2 CO 0.00 -0.03 -0.16 0.42 -0.55 0.00 0.00 175.29 174.97 3k4v s ILE 3 N 0.38 2.16 0.80 -2.34 1.01 -1.26 -5.12 121.20 116.84 3k4v s ILE 3 Ca -0.03 -1.17 -0.12 0.00 0.00 0.00 0.00 60.65 59.32 3k4v s ILE 3 Cb -0.06 -2.04 0.07 0.00 0.01 0.00 0.00 42.46 40.44 3k4v s ILE 3 CO -0.01 0.33 1.15 0.42 0.00 0.00 0.00 174.94 176.82 3k4v s THR 4 N 1.23 2.44 -0.16 2.92 -4.23 -1.26 -5.02 115.64 111.56 3k4v s THR 4 Ca 0.00 0.14 0.17 0.00 -1.18 0.00 0.00 61.69 60.82 3k4v s THR 4 Cb -0.16 -3.08 0.37 0.00 1.34 0.00 0.00 72.50 70.98 3k4v s THR 4 CO -0.10 -0.19 1.23 0.18 -0.54 0.00 0.00 174.62 175.21 3k4v n LEU 5 N -3.33 2.80 0.27 4.79 4.77 -1.26 -4.56 117.00 120.48 3k4v n LEU 5 Ca 0.07 -3.24 0.15 0.00 -0.03 0.00 0.00 56.01 52.96 3k4v n LEU 5 Cb 0.59 -0.48 0.73 0.00 -2.33 0.00 0.00 43.42 41.93 3k4v n LEU 5 CO 0.57 0.84 0.97 -0.50 -1.33 0.00 0.00 177.39 177.95 3k4v h TRP 6 N 0.55 0.00 -2.30 -1.77 4.06 -2.06 -3.43 115.95 111.00 3k4v h TRP 6 Ca 0.01 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.40 3k4v h TRP 6 Cb 1.13 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.15 3k4v h TRP 6 CO 0.27 0.10 -0.69 0.15 -3.56 0.00 0.00 178.44 174.71 3k4v s LYS 7 N -3.95 1.67 0.27 0.49 1.02 -1.26 -5.11 119.74 112.86 3k4v s LYS 7 Ca -0.01 -1.84 -0.31 0.00 0.02 0.00 0.00 55.97 53.83 3k4v s LYS 7 Cb 0.11 -1.46 -0.12 0.00 -0.52 0.00 0.00 37.83 35.85 3k4v s LYS 7 CO 0.56 0.12 1.65 1.03 -0.92 0.00 0.00 175.35 177.80 3k4v s ARG 8 N -3.65 4.11 -1.33 1.68 0.52 -1.26 -4.85 118.95 114.17 3k4v s ARG 8 Ca 0.31 2.61 -0.17 0.00 -0.52 0.00 0.00 55.73 57.96 3k4v s ARG 8 Cb 0.02 -3.03 0.05 0.00 0.52 0.00 0.00 34.95 32.51 3k4v s ARG 8 CO 0.14 -0.69 1.88 -0.35 0.02 0.00 0.00 175.30 176.30 3k4v n PRO 9 N 2.80 3.01 -3.40 3.54 -0.04 -1.26 -4.94 135.00 134.71 3k4v n PRO 9 Ca 0.11 -3.04 -0.38 0.00 -0.04 0.00 0.00 63.50 60.15 3k4v n PRO 9 Cb 0.36 -3.45 -0.06 0.00 -0.04 0.00 0.00 33.50 30.32 3k4v n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4v s LEU 10 N 3.95 4.50 0.18 1.53 1.43 -1.26 -1.27 118.68 127.73 3k4v s LEU 10 Ca 0.53 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 3k4v s LEU 10 Cb 0.07 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 3k4v s LEU 10 CO 0.04 0.30 0.02 0.68 0.23 0.00 0.00 176.35 177.61 3k4v s VAL 11 N -1.07 0.62 -0.02 -1.59 -7.23 0.80 -4.94 120.40 106.96 3k4v s VAL 11 Ca 0.26 -1.98 -0.22 0.00 -1.81 0.00 0.00 61.98 58.23 3k4v s VAL 11 Cb -0.18 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 3k4v s VAL 11 CO 0.16 -0.43 0.66 -0.89 -0.31 0.00 0.00 175.10 174.29 3k4v s THR 12 N -3.70 4.94 0.27 5.32 2.01 -1.26 -0.49 115.64 122.74 3k4v s THR 12 Ca 0.25 1.37 0.11 0.00 0.31 0.00 0.00 61.69 63.73 3k4v s THR 12 Cb 0.06 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 3k4v s THR 12 CO 0.05 0.35 -0.18 0.27 -0.69 0.00 0.00 174.62 174.41 3k4v s ILE 13 N 0.22 2.33 -0.15 1.82 -4.36 0.20 -1.02 121.20 120.23 3k4v s ILE 13 Ca 0.34 -2.36 0.01 0.00 -0.26 0.00 0.00 60.65 58.38 3k4v s ILE 13 Cb -0.18 -2.29 0.02 0.00 1.25 0.00 0.00 42.46 41.26 3k4v s ILE 13 CO 0.18 -0.41 -0.16 -0.75 0.24 0.00 0.00 174.94 174.04 3k4v s LYS 14 N -3.54 2.46 -0.07 0.37 2.20 0.15 -0.93 119.74 120.38 3k4v s LYS 14 Ca 0.29 -0.63 -0.04 0.00 -0.36 0.00 0.00 55.97 55.23 3k4v s LYS 14 Cb -0.04 -2.19 0.04 0.00 -1.51 0.00 0.00 37.83 34.13 3k4v s LYS 14 CO 0.14 -0.20 0.17 -1.50 -0.36 0.00 0.00 175.35 173.60 3k4v s ILE 15 N 1.35 -0.04 -1.90 5.43 2.07 -0.29 -1.21 121.20 126.63 3k4v s ILE 15 Ca 0.03 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 3k4v s ILE 15 Cb -0.13 -0.27 0.00 0.00 0.13 0.00 0.00 42.46 42.18 3k4v s ILE 15 CO -0.10 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 3k4v n GLY 16 N 3.94 1.45 2.07 1.50 0.00 -1.26 -1.61 105.19 111.27 3k4v n GLY 16 Ca -0.23 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3k4v n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4v n GLY 17 N -0.76 0.68 3.45 -0.02 0.00 -1.26 -5.05 105.19 102.23 3k4v n GLY 17 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3k4v n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k4v s GLN 18 N -0.11 1.92 0.01 1.61 -1.52 -0.64 -5.12 119.66 115.82 3k4v s GLN 18 Ca 0.00 -1.07 -0.18 0.00 -1.95 0.00 0.00 55.36 52.16 3k4v s GLN 18 Cb 0.00 -2.13 -0.06 0.00 -0.22 0.00 0.00 33.01 30.61 3k4v s GLN 18 CO 0.00 0.51 0.51 -0.51 -0.25 0.00 0.00 175.29 175.56 3k4v s LEU 19 N -1.65 4.45 0.16 2.90 1.43 -1.26 -1.13 118.68 123.58 3k4v s LEU 19 Ca 0.15 1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 54.32 3k4v s LEU 19 Cb -0.10 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 3k4v s LEU 19 CO 0.06 0.21 0.10 -0.54 0.23 0.00 0.00 176.35 176.42 3k4v s LYS 20 N -0.64 1.06 -0.02 1.70 1.02 -0.10 -4.99 119.74 117.75 3k4v s LYS 20 Ca 0.27 -1.50 -0.01 0.00 0.02 0.00 0.00 55.97 54.75 3k4v s LYS 20 Cb -0.18 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 3k4v s LYS 20 CO 0.16 -0.33 0.06 -2.00 -0.92 0.00 0.00 175.35 172.32 3k4v s GLU 21 N -4.09 3.02 0.04 1.68 2.56 -1.26 -0.63 118.70 120.02 3k4v s GLU 21 Ca 0.30 -0.47 -0.09 0.00 0.00 0.00 0.00 54.97 54.71 3k4v s GLU 21 Cb 0.07 -2.83 0.00 0.00 2.00 0.00 0.00 34.13 33.37 3k4v s GLU 21 CO 0.06 0.66 0.18 0.00 -0.56 0.00 0.00 175.26 175.61 3k4v s ALA 22 N -1.11 -0.33 -0.20 6.30 0.00 0.36 -4.40 121.76 122.38 3k4v s ALA 22 Ca 0.20 -0.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.69 3k4v s ALA 22 Cb -0.12 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3k4v s ALA 22 CO 0.11 -0.36 0.42 -1.17 0.00 0.00 0.00 175.76 174.76 3k4v s LEU 23 N -2.09 4.15 -0.33 0.00 2.96 0.35 -0.14 118.68 123.58 3k4v s LEU 23 Ca -0.05 0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 54.11 3k4v s LEU 23 Cb -0.01 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.14 3k4v s LEU 23 CO -0.04 -0.09 1.32 -0.76 -1.32 0.00 0.00 176.35 175.45 3k4v s LEU 24 N 1.37 3.82 -0.33 -0.68 1.43 -0.40 -0.49 118.68 123.40 3k4v s LEU 24 Ca 0.20 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 3k4v s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.63 3k4v s LEU 24 CO 0.08 -1.15 0.10 -0.62 0.23 0.00 0.00 176.35 174.99 3k4v s ASP 25 N 3.00 4.15 0.34 2.29 -1.08 -0.31 -4.81 116.67 120.26 3k4v s ASP 25 Ca 0.57 -1.81 0.26 0.00 -0.52 0.00 0.00 52.55 51.05 3k4v s ASP 25 Cb -0.16 -1.03 1.11 0.00 -1.46 0.00 0.00 42.92 41.39 3k4v s ASP 25 CO 0.25 -0.40 1.79 0.71 0.52 0.00 0.00 175.17 178.04 3k4v h THR 26 N 6.42 0.00 -0.01 1.71 1.35 -1.94 -2.20 112.91 118.25 3k4v h THR 26 Ca -0.11 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3k4v h THR 26 Cb 1.01 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3k4v h THR 26 CO 0.48 0.00 -0.09 0.61 -0.25 0.00 0.00 175.52 176.27 3k4v n GLY 27 N -0.05 -0.40 3.62 5.82 0.00 -1.26 -4.84 105.19 108.07 3k4v n GLY 27 Ca 0.02 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 3k4v n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4v s ALA 28 N -2.22 3.41 0.24 4.61 0.00 -0.83 -4.98 121.76 121.99 3k4v s ALA 28 Ca 0.33 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 3k4v s ALA 28 Cb 0.20 -1.99 0.27 0.00 0.00 0.00 0.00 23.12 21.61 3k4v s ALA 28 CO 0.41 0.06 1.64 -0.44 0.00 0.00 0.00 175.76 177.44 3k4v h ASP 29 N 6.96 0.59 -2.02 0.00 3.32 -1.88 0.16 116.42 123.55 3k4v h ASP 29 Ca -0.37 -0.23 -0.62 0.00 0.02 0.00 0.00 57.03 55.83 3k4v h ASP 29 Cb 1.17 -0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 3k4v h ASP 29 CO 0.68 0.87 -0.70 -1.81 -1.72 0.00 0.00 179.24 176.57 3k4v s ASP 30 N -6.82 3.69 -0.23 6.45 1.01 -1.26 -2.92 116.67 116.58 3k4v s ASP 30 Ca -0.08 -1.15 -0.10 0.00 0.71 0.00 0.00 52.55 51.94 3k4v s ASP 30 Cb 0.13 -0.33 -0.05 0.00 1.01 0.00 0.00 42.92 43.68 3k4v s ASP 30 CO 0.81 -0.13 0.13 -0.89 0.21 0.00 0.00 175.17 175.31 3k4v s THR 31 N -2.58 5.11 -0.10 -1.27 2.01 -1.26 -3.05 115.64 114.50 3k4v s THR 31 Ca 0.32 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.42 3k4v s THR 31 Cb 0.00 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.15 3k4v s THR 31 CO 0.16 0.36 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.64 3k4v s VAL 32 N 1.08 1.25 0.06 3.82 1.01 -0.39 -1.22 120.40 126.01 3k4v s VAL 32 Ca 0.06 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3k4v s VAL 32 Cb -0.14 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3k4v s VAL 32 CO 0.04 0.39 -0.26 -0.63 0.00 0.00 0.00 175.10 174.65 3k4v s ILE 33 N 1.11 2.21 0.87 2.22 -1.09 0.25 -0.63 121.20 126.15 3k4v s ILE 33 Ca -0.05 -1.45 -0.14 0.00 -2.23 0.00 0.00 60.65 56.78 3k4v s ILE 33 Cb -0.14 -1.89 0.02 0.00 -1.58 0.00 0.00 42.46 38.87 3k4v s ILE 33 CO -0.02 0.31 0.53 -1.84 -1.23 0.00 0.00 174.94 172.69 3k4v n GLU 34 N 1.59 -0.08 -1.67 2.79 0.28 -1.25 -1.15 120.64 121.15 3k4v n GLU 34 Ca -0.17 0.03 -0.46 0.00 -0.16 0.00 0.00 57.16 56.39 3k4v n GLU 34 Cb 0.52 -1.91 -0.04 0.00 1.43 0.00 0.00 31.44 31.44 3k4v n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3k4v n GLU 35 N -1.61 2.13 -3.51 3.44 4.07 -1.24 -4.53 120.64 119.38 3k4v n GLU 35 Ca 0.08 0.77 -0.14 0.00 -0.06 0.00 0.00 57.16 57.81 3k4v n GLU 35 Cb 0.52 -2.54 -0.04 0.00 -0.06 0.00 0.00 31.44 29.32 3k4v n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3k4v s MET 36 N 0.97 1.12 0.03 5.31 0.23 -1.26 -5.04 119.30 120.66 3k4v s MET 36 Ca 0.79 -0.19 -0.30 0.00 -1.03 0.00 0.00 55.69 54.96 3k4v s MET 36 Cb -0.69 0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 33.09 3k4v s MET 36 CO 0.38 -0.42 1.08 -1.12 -2.03 0.00 0.00 175.02 172.92 3k4v s SER 37 N -2.03 7.24 -0.07 -1.18 0.01 -1.26 -5.01 113.70 111.40 3k4v s SER 37 Ca -0.05 1.84 0.03 0.00 1.31 0.00 0.00 55.95 59.08 3k4v s SER 37 Cb -0.01 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.66 3k4v s SER 37 CO -0.02 -0.35 -0.14 -0.76 0.41 0.00 0.00 173.24 172.37 3k4v s LEU 38 N 0.98 1.74 0.69 2.44 1.43 -1.26 -4.99 118.68 119.72 3k4v s LEU 38 Ca 0.55 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.19 3k4v s LEU 38 Cb -0.25 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.06 3k4v s LEU 38 CO 0.29 0.06 1.07 -2.16 0.23 0.00 0.00 176.35 175.84 3k4v s PRO 39 N 0.54 2.85 0.00 1.29 0.04 -1.26 -4.96 135.00 133.51 3k4v s PRO 39 Ca -0.14 1.05 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3k4v s PRO 39 Cb -0.16 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3k4v s PRO 39 CO 0.04 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.32 3k4v n GLY 40 N -1.62 1.20 3.81 0.56 0.00 -1.26 -5.01 105.19 102.86 3k4v n GLY 40 Ca 0.08 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 3k4v n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k4v s ARG 41 N -1.58 4.11 0.22 1.61 0.52 -1.26 -5.06 118.95 117.51 3k4v s ARG 41 Ca 0.00 1.25 -0.10 0.00 -0.52 0.00 0.00 55.73 56.35 3k4v s ARG 41 Cb 0.00 -2.23 -0.01 0.00 0.52 0.00 0.00 34.95 33.23 3k4v s ARG 41 CO 0.00 -0.15 0.39 1.67 0.02 0.00 0.00 175.30 177.23 3k4v s TRP 42 N -2.03 0.47 0.02 -0.53 1.48 -1.26 -4.48 118.94 112.60 3k4v s TRP 42 Ca 0.63 -0.81 -0.01 0.00 -1.06 0.00 0.00 56.10 54.85 3k4v s TRP 42 Cb -0.13 0.04 -0.02 0.00 -1.16 0.00 0.00 33.47 32.20 3k4v s TRP 42 CO 0.17 -0.88 -0.01 -1.59 -4.06 0.00 0.00 176.95 170.58 3k4v s LYS 43 N -4.02 0.36 0.44 3.25 -2.85 -0.31 -4.90 119.74 111.70 3k4v s LYS 43 Ca 0.23 -0.63 -0.24 0.00 -1.00 0.00 0.00 55.97 54.33 3k4v s LYS 43 Cb 0.01 0.13 -0.08 0.00 -2.06 0.00 0.00 37.83 35.84 3k4v s LYS 43 CO 0.07 -0.06 1.23 -2.14 0.10 0.00 0.00 175.35 174.55 3k4v s PRO 44 N -1.65 3.81 0.04 1.78 0.02 -1.26 -0.31 135.00 137.42 3k4v s PRO 44 Ca -0.14 1.96 -0.12 0.00 0.02 0.00 0.00 61.00 62.72 3k4v s PRO 44 Cb -0.08 -2.55 0.01 0.00 0.02 0.00 0.00 34.50 31.90 3k4v s PRO 44 CO -0.01 -0.56 0.26 0.21 -0.33 0.00 0.00 177.00 176.57 3k4v s LYS 45 N -2.50 0.76 -0.09 5.54 2.20 -0.70 -4.84 119.74 120.11 3k4v s LYS 45 Ca 0.61 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.71 3k4v s LYS 45 Cb -0.33 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.29 3k4v s LYS 45 CO 0.41 -0.23 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.38 3k4v s MET 46 N -2.48 2.96 0.06 4.03 -1.94 -1.26 -0.33 119.30 120.34 3k4v s MET 46 Ca -0.06 -0.71 0.06 0.00 -1.71 0.00 0.00 55.69 53.28 3k4v s MET 46 Cb -0.01 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.31 3k4v s MET 46 CO -0.03 0.39 -0.17 0.96 -0.01 0.00 0.00 175.02 176.17 3k4v s ILE 47 N -0.13 1.34 0.14 2.53 -4.36 -0.33 -4.97 121.20 115.41 3k4v s ILE 47 Ca -0.01 -1.20 0.09 0.00 -0.26 0.00 0.00 60.65 59.26 3k4v s ILE 47 Cb -0.14 -1.22 -0.04 0.00 1.25 0.00 0.00 42.46 42.32 3k4v s ILE 47 CO 0.03 -0.01 -0.18 -0.83 0.24 0.00 0.00 174.94 174.20 3k4v s GLY 48 N -1.41 1.70 0.00 6.27 0.00 -1.26 -1.24 107.32 111.37 3k4v s GLY 48 Ca 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.35 3k4v s GLY 48 CO 0.02 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.34 3k4v n GLY 49 N 0.62 3.17 3.73 0.20 0.00 -0.41 -4.98 105.19 107.52 3k4v n GLY 49 Ca -0.15 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 3k4v n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4v s ILE 50 N -2.58 2.47 0.00 -0.61 1.01 -1.26 -1.44 121.20 118.79 3k4v s ILE 50 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3k4v s ILE 50 Cb 0.00 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3k4v s ILE 50 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 3k4v n GLY 51 N 3.16 3.13 0.00 6.18 0.00 -1.26 -4.95 105.19 111.45 3k4v n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3k4v n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4v n GLY 52 N -1.94 -0.27 3.81 -0.02 0.00 -0.52 -5.06 105.19 101.19 3k4v n GLY 52 Ca 0.00 -2.13 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 3k4v n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4v s PHE 53 N 0.00 3.21 0.11 1.61 0.40 -1.26 -1.29 117.98 120.75 3k4v s PHE 53 Ca 0.00 0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.45 3k4v s PHE 53 Cb 0.00 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 3k4v s PHE 53 CO 0.00 0.52 -0.20 0.96 0.70 0.00 0.00 175.22 177.20 3k4v s ILE 54 N -1.60 1.68 0.09 0.64 -4.36 -0.37 -4.96 121.20 112.31 3k4v s ILE 54 Ca 0.31 -1.59 -0.28 0.00 -0.26 0.00 0.00 60.65 58.82 3k4v s ILE 54 Cb -0.11 -1.57 -0.06 0.00 1.25 0.00 0.00 42.46 41.97 3k4v s ILE 54 CO 0.23 -0.12 0.90 -0.75 0.24 0.00 0.00 174.94 175.44 3k4v s LYS 55 N -2.06 4.64 0.20 0.37 2.20 -1.26 -1.19 119.74 122.63 3k4v s LYS 55 Ca 0.07 1.33 0.03 0.00 -0.36 0.00 0.00 55.97 57.05 3k4v s LYS 55 Cb -0.09 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 3k4v s LYS 55 CO 0.04 0.24 -0.02 0.14 -0.36 0.00 0.00 175.35 175.39 3k4v s VAL 56 N -0.02 0.94 -0.23 4.02 -7.23 0.55 -4.38 120.40 114.05 3k4v s VAL 56 Ca 0.44 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.47 3k4v s VAL 56 Cb -0.22 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 3k4v s VAL 56 CO 0.28 -0.45 0.24 -0.13 -0.31 0.00 0.00 175.10 174.73 3k4v s ARG 57 N -3.86 4.09 -0.29 4.82 0.52 0.13 -1.72 118.95 122.64 3k4v s ARG 57 Ca 0.25 -0.12 -0.17 0.00 -0.52 0.00 0.00 55.73 55.17 3k4v s ARG 57 Cb 0.05 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.95 3k4v s ARG 57 CO 0.06 0.00 0.48 -1.14 0.02 0.00 0.00 175.30 174.72 3k4v s GLN 58 N 1.22 3.93 -0.24 3.54 0.74 0.57 -0.93 119.66 128.49 3k4v s GLN 58 Ca 0.11 0.12 -0.06 0.00 0.05 0.00 0.00 55.36 55.58 3k4v s GLN 58 Cb -0.14 -3.70 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 3k4v s GLN 58 CO 0.06 -0.42 0.04 0.71 -0.55 0.00 0.00 175.29 175.14 3k4v s TYR 59 N 2.28 3.06 0.34 1.67 1.51 -0.11 -1.16 117.35 124.94 3k4v s TYR 59 Ca 0.19 -0.50 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 3k4v s TYR 59 Cb -0.16 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 3k4v s TYR 59 CO 0.10 -0.36 0.58 -0.51 -1.11 0.00 0.00 175.55 174.25 3k4v s ASP 60 N 1.49 6.36 -1.38 2.29 1.01 -1.26 -0.69 116.67 124.49 3k4v s ASP 60 Ca 0.06 0.64 -0.08 0.00 0.71 0.00 0.00 52.55 53.88 3k4v s ASP 60 Cb -0.15 -2.12 0.03 0.00 1.01 0.00 0.00 42.92 41.69 3k4v s ASP 60 CO 0.02 -0.29 1.07 0.00 0.21 0.00 0.00 175.17 176.18 3k4v n GLN 61 N -1.44 -6.89 -3.07 8.23 1.13 -1.17 -4.91 117.38 109.26 3k4v n GLN 61 Ca -0.03 0.76 -0.39 0.00 -1.94 0.00 0.00 57.00 55.40 3k4v n GLN 61 Cb 0.55 -5.72 -0.05 0.00 0.11 0.00 0.00 30.24 25.12 3k4v n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3k4v s ILE 62 N -3.35 4.72 -0.17 5.09 -1.09 0.12 -4.73 121.20 121.78 3k4v s ILE 62 Ca 0.47 1.50 -0.23 0.00 -2.23 0.00 0.00 60.65 60.16 3k4v s ILE 62 Cb -0.22 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 3k4v s ILE 62 CO 0.76 0.42 0.73 -0.63 -1.23 0.00 0.00 174.94 175.00 3k4v s ILE 63 N -0.37 4.96 0.04 2.92 1.01 -1.26 -1.20 121.20 127.29 3k4v s ILE 63 Ca 0.35 1.42 0.02 0.00 0.00 0.00 0.00 60.65 62.44 3k4v s ILE 63 Cb -0.20 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 3k4v s ILE 63 CO 0.22 0.09 -0.06 -0.51 0.00 0.00 0.00 174.94 174.67 3k4v s ILE 64 N 1.90 0.43 -0.09 2.92 2.07 -0.46 -4.47 121.20 123.49 3k4v s ILE 64 Ca 0.34 -1.07 0.02 0.00 -1.41 0.00 0.00 60.65 58.53 3k4v s ILE 64 Cb -0.16 -0.56 -0.02 0.00 0.13 0.00 0.00 42.46 41.85 3k4v s ILE 64 CO 0.12 -0.44 -0.16 -0.70 -1.91 0.00 0.00 174.94 171.86 3k4v s GLU 65 N -1.65 2.90 -0.25 3.50 2.12 -0.35 -0.98 118.70 123.98 3k4v s GLU 65 Ca -0.11 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.50 3k4v s GLU 65 Cb -0.09 -2.45 0.07 0.00 0.26 0.00 0.00 34.13 31.92 3k4v s GLU 65 CO -0.00 0.40 -0.01 0.42 -0.54 0.00 0.00 175.26 175.53 3k4v s ILE 66 N -0.17 1.42 -1.56 -3.70 1.01 0.47 -0.68 121.20 118.00 3k4v s ILE 66 Ca -0.01 -1.30 -0.14 0.00 0.00 0.00 0.00 60.65 59.19 3k4v s ILE 66 Cb -0.13 -1.80 0.10 0.00 0.01 0.00 0.00 42.46 40.63 3k4v s ILE 66 CO 0.03 -0.25 0.93 0.00 0.00 0.00 0.00 174.94 175.66 3k4v n ALA 67 N 4.69 -1.31 -0.09 9.38 0.00 -0.19 -0.83 120.51 132.16 3k4v n ALA 67 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3k4v n ALA 67 Cb 0.44 -4.18 0.00 0.00 0.00 0.00 0.00 19.45 15.71 3k4v n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4v n GLY 68 N -1.64 1.50 3.79 0.00 0.00 -1.26 -5.03 105.19 102.55 3k4v n GLY 68 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3k4v n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k4v s HIS 69 N -2.63 3.51 0.32 1.61 4.02 -0.01 -5.08 115.29 117.03 3k4v s HIS 69 Ca 0.00 0.48 -0.20 0.00 1.02 0.00 0.00 55.06 56.35 3k4v s HIS 69 Cb 0.00 -2.11 -0.09 0.00 -1.02 0.00 0.00 32.58 29.36 3k4v s HIS 69 CO 0.00 0.47 0.83 0.15 1.02 0.00 0.00 174.74 177.22 3k4v s LYS 70 N -0.23 4.26 0.08 1.40 -0.14 -1.26 -0.39 119.74 123.46 3k4v s LYS 70 Ca 0.13 0.99 -0.08 0.00 -1.36 0.00 0.00 55.97 55.64 3k4v s LYS 70 Cb -0.12 -2.58 -0.00 0.00 -1.68 0.00 0.00 37.83 33.45 3k4v s LYS 70 CO 0.02 0.21 0.18 0.00 -0.76 0.00 0.00 175.35 174.99 3k4v s ALA 71 N -1.82 -0.21 -0.08 5.17 0.00 -0.15 -4.79 121.76 119.88 3k4v s ALA 71 Ca 0.52 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 3k4v s ALA 71 Cb -0.14 0.45 0.04 0.00 0.00 0.00 0.00 23.12 23.47 3k4v s ALA 71 CO 0.19 -0.48 0.04 0.42 0.00 0.00 0.00 175.76 175.93 3k4v s ILE 72 N -3.68 0.09 0.00 0.00 1.01 -1.26 -1.36 121.20 116.00 3k4v s ILE 72 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3k4v s ILE 72 Cb 0.04 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.12 3k4v s ILE 72 CO -0.10 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.56 3k4v n GLY 73 N 5.23 1.10 3.73 6.18 0.00 -0.34 -4.85 105.19 116.24 3k4v n GLY 73 Ca -0.05 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 3k4v n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4v s THR 74 N -2.27 4.77 -0.07 2.61 2.01 -1.26 -0.71 115.64 120.73 3k4v s THR 74 Ca 0.00 1.73 0.04 0.00 0.31 0.00 0.00 61.69 63.77 3k4v s THR 74 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.35 3k4v s THR 74 CO 0.00 0.31 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.36 3k4v s VAL 75 N 0.26 1.62 -0.17 3.82 1.01 0.13 -4.49 120.40 122.58 3k4v s VAL 75 Ca 0.42 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 3k4v s VAL 75 Cb -0.21 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3k4v s VAL 75 CO 0.24 0.46 0.06 -0.76 0.00 0.00 0.00 175.10 175.10 3k4v s LEU 76 N 0.25 3.83 -0.19 3.92 1.43 -0.36 -0.94 118.68 126.62 3k4v s LEU 76 Ca -0.11 0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3k4v s LEU 76 Cb -0.15 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 3k4v s LEU 76 CO 0.05 0.20 -0.05 -0.69 0.23 0.00 0.00 176.35 176.09 3k4v s VAL 77 N 0.20 3.44 -0.46 -1.59 1.01 -0.11 -0.59 120.40 122.30 3k4v s VAL 77 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3k4v s VAL 77 Cb -0.12 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3k4v s VAL 77 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3k4v n GLY 78 N 4.37 -1.25 2.38 4.51 0.00 -0.30 -0.70 105.19 114.20 3k4v n GLY 78 Ca -0.18 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 3k4v n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k4v n PRO 79 N -0.03 3.74 -3.14 1.61 -0.04 -1.26 -3.69 135.00 132.19 3k4v n PRO 79 Ca 0.00 -2.41 -0.38 0.00 -0.04 0.00 0.00 63.50 60.67 3k4v n PRO 79 Cb 0.00 -2.83 -0.06 0.00 -0.04 0.00 0.00 33.50 30.57 3k4v n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3k4v s THR 80 N 1.83 4.59 -0.71 0.52 -1.32 -1.26 -4.97 115.64 114.31 3k4v s THR 80 Ca 0.65 1.33 0.25 0.00 -1.21 0.00 0.00 61.69 62.72 3k4v s THR 80 Cb 0.18 -3.93 0.26 0.00 -1.51 0.00 0.00 72.50 67.49 3k4v s THR 80 CO -0.07 0.38 1.75 -0.81 -2.21 0.00 0.00 174.62 173.67 3k4v n PRO 81 N 1.21 0.19 -3.81 7.08 -0.04 -1.26 -4.65 135.00 133.71 3k4v n PRO 81 Ca -0.06 0.25 -0.14 0.00 -0.04 0.00 0.00 63.50 63.52 3k4v n PRO 81 Cb 0.50 -1.76 -0.15 0.00 -0.04 0.00 0.00 33.50 32.05 3k4v n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3k4v s VAL 82 N -3.14 -0.03 0.24 0.52 1.01 -1.26 -5.10 120.40 112.64 3k4v s VAL 82 Ca 0.09 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 3k4v s VAL 82 Cb 0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 36.38 36.35 3k4v s VAL 82 CO 0.50 0.05 1.24 0.20 0.00 0.00 0.00 175.10 177.09 3k4v s ASN 83 N 0.59 6.99 -0.02 3.32 0.01 -1.26 -4.84 114.94 119.74 3k4v s ASN 83 Ca -0.05 2.39 0.02 0.00 -0.71 0.00 0.00 52.86 54.51 3k4v s ASN 83 Cb -0.07 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3k4v s ASN 83 CO -0.02 -0.41 -0.07 0.27 -1.51 0.00 0.00 177.10 175.36 3k4v s ILE 84 N -0.44 0.63 -0.37 0.60 -4.36 0.20 -0.49 121.20 116.96 3k4v s ILE 84 Ca 0.52 -0.28 -0.14 0.00 -0.26 0.00 0.00 60.65 60.48 3k4v s ILE 84 Cb -0.35 -0.57 -0.00 0.00 1.25 0.00 0.00 42.46 42.79 3k4v s ILE 84 CO 0.41 0.20 0.30 -0.63 0.24 0.00 0.00 174.94 175.46 3k4v s ILE 85 N 0.20 5.24 0.24 8.37 -1.09 0.36 -1.27 121.20 133.25 3k4v s ILE 85 Ca -0.03 -0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.11 3k4v s ILE 85 Cb -0.07 -3.83 0.04 0.00 -1.58 0.00 0.00 42.46 37.01 3k4v s ILE 85 CO 0.00 -0.16 0.31 0.61 -1.23 0.00 0.00 174.94 174.47 3k4v n GLY 86 N 5.10 2.08 0.26 6.18 0.00 -1.17 -1.16 105.19 116.48 3k4v n GLY 86 Ca -0.11 -2.18 0.10 0.00 0.00 0.00 0.00 46.02 43.83 3k4v n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3k4v h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.69 -0.69 114.38 117.69 3k4v h ARG 87 Ca -0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3k4v h ARG 87 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3k4v h ARG 87 CO 0.17 0.09 -0.01 -2.95 -1.07 0.00 0.00 179.97 176.20 3k4v h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.79 -1.84 115.58 117.92 3k4v h ASN 88 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.25 3k4v h ASN 88 Cb 0.19 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.42 3k4v h ASN 88 CO 0.01 0.01 -1.82 0.18 0.07 0.00 0.00 177.43 175.88 3k4v n LEU 89 N -4.39 0.00 0.09 6.14 4.77 -0.46 -4.38 117.00 118.77 3k4v n LEU 89 Ca -0.03 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 3k4v n LEU 89 Cb 0.10 0.15 0.35 0.00 -2.33 0.00 0.00 43.42 41.69 3k4v n LEU 89 CO 0.33 0.15 0.88 -0.07 -1.33 0.00 0.00 177.39 177.35 3k4v h LEU 90 N 0.00 0.30 -1.33 2.23 3.38 -0.93 -0.95 115.31 118.01 3k4v h LEU 90 Ca -0.17 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3k4v h LEU 90 Cb 1.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3k4v h LEU 90 CO 0.01 0.45 -0.33 0.71 0.09 0.00 0.00 178.44 179.37 3k4v h THR 91 N 0.30 1.24 -0.00 0.22 1.35 -1.55 -1.80 112.91 112.67 3k4v h THR 91 Ca 0.06 -1.15 -0.16 0.00 -0.55 0.00 0.00 66.41 64.61 3k4v h THR 91 Cb 0.40 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.41 3k4v h THR 91 CO 0.02 0.33 -0.76 1.56 -0.25 0.00 0.00 175.52 176.42 3k4v h GLN 92 N 0.01 0.00 -0.11 4.72 4.20 -1.39 -2.99 115.11 119.55 3k4v h GLN 92 Ca -0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3k4v h GLN 92 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3k4v h GLN 92 CO 0.04 0.76 0.00 0.44 -0.67 0.00 0.00 178.83 179.40 3k4v n ILE 93 N -3.64 0.12 -0.60 2.54 -5.35 -0.90 -4.93 119.36 106.60 3k4v n ILE 93 Ca -0.01 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 3k4v n ILE 93 Cb 0.73 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 3k4v n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k4v n GLY 94 N 1.20 0.64 3.76 3.28 0.00 -0.86 -5.03 105.19 108.19 3k4v n GLY 94 Ca 0.17 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 3k4v n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4v s ALA 95 N -2.00 3.33 0.19 4.61 0.00 -0.73 -5.04 121.76 122.12 3k4v s ALA 95 Ca 0.00 0.88 0.04 0.00 0.00 0.00 0.00 51.96 52.88 3k4v s ALA 95 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 3k4v s ALA 95 CO 0.00 -0.22 -0.04 0.95 0.00 0.00 0.00 175.76 176.45 3k4v s THR 96 N -1.28 1.06 -0.24 0.00 -4.23 -1.26 -4.76 115.64 104.94 3k4v s THR 96 Ca 0.48 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.90 3k4v s THR 96 Cb -0.30 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 3k4v s THR 96 CO 0.39 -0.50 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.74 3k4v s LEU 97 N -3.24 3.15 -0.23 4.79 2.96 -1.26 -5.08 118.68 119.77 3k4v s LEU 97 Ca 0.23 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3k4v s LEU 97 Cb 0.04 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 3k4v s LEU 97 CO 0.05 -0.05 -0.02 0.21 -1.32 0.00 0.00 176.35 175.22 3k4v s ASN 98 N 1.51 4.47 0.00 3.68 3.04 -1.26 -5.30 114.94 121.08 3k4v s ASN 98 Ca 0.05 -0.43 0.00 0.00 0.04 0.00 0.00 52.86 52.52 3k4v s ASN 98 Cb -0.15 -1.77 0.00 0.00 -1.54 0.00 0.00 41.25 37.79 3k4v s ASN 98 CO -0.01 -0.04 0.00 2.22 -3.04 0.00 0.00 177.10 176.23