#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 3.12 -0.13 -0.52 -0.21 -1.26 -5.09 119.66 115.57 3k4v s GLN 2 Ca 0.00 -0.55 -0.00 0.00 0.02 0.00 0.00 55.36 54.83 3k4v s GLN 2 Cb 0.00 -2.70 0.02 0.00 1.00 0.00 0.00 33.01 31.33 3k4v s GLN 2 CO 0.00 0.48 -0.11 0.42 -2.12 0.00 0.00 175.29 173.96 3k4v s ILE 3 N -0.30 1.31 0.70 1.08 1.01 -1.26 -5.12 121.20 118.63 3k4v s ILE 3 Ca 0.04 -0.47 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 3k4v s ILE 3 Cb -0.13 -1.27 0.04 0.00 0.01 0.00 0.00 42.46 41.12 3k4v s ILE 3 CO 0.02 0.42 1.05 0.42 0.00 0.00 0.00 174.94 176.85 3k4v s THR 4 N 1.58 2.82 -0.22 2.92 -4.23 -1.26 -5.00 115.64 112.25 3k4v s THR 4 Ca 0.05 0.04 0.13 0.00 -1.18 0.00 0.00 61.69 60.73 3k4v s THR 4 Cb -0.13 -3.22 0.46 0.00 1.34 0.00 0.00 72.50 70.96 3k4v s THR 4 CO -0.09 -0.26 1.37 0.18 -0.54 0.00 0.00 174.62 175.27 3k4v n LEU 5 N -2.96 3.57 0.19 4.79 4.77 -1.26 -4.58 117.00 121.51 3k4v n LEU 5 Ca 0.07 -3.44 0.03 0.00 -0.03 0.00 0.00 56.01 52.64 3k4v n LEU 5 Cb 0.59 -0.56 0.37 0.00 -2.33 0.00 0.00 43.42 41.49 3k4v n LEU 5 CO 0.55 1.00 0.74 -0.50 -1.33 0.00 0.00 177.39 177.84 3k4v h TRP 6 N 1.06 0.00 -2.02 -1.77 4.06 -2.06 -3.44 115.95 111.78 3k4v h TRP 6 Ca 0.09 -0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.43 3k4v h TRP 6 Cb 1.40 -0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.43 3k4v h TRP 6 CO 0.65 0.36 -0.70 0.15 -3.56 0.00 0.00 178.44 175.34 3k4v s LYS 7 N -4.23 1.81 0.23 0.49 1.02 -1.26 -5.10 119.74 112.70 3k4v s LYS 7 Ca -0.03 -1.86 -0.31 0.00 0.02 0.00 0.00 55.97 53.79 3k4v s LYS 7 Cb 0.15 -1.75 -0.14 0.00 -0.52 0.00 0.00 37.83 35.56 3k4v s LYS 7 CO 0.72 0.20 1.33 0.54 -0.92 0.00 0.00 175.35 177.23 3k4v n ARG 8 N -0.76 1.83 -2.46 1.68 1.74 -1.26 -4.84 116.66 112.59 3k4v n ARG 8 Ca -0.05 0.65 -0.43 0.00 -0.77 0.00 0.00 57.85 57.25 3k4v n ARG 8 Cb 0.62 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 3k4v n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3k4v n PRO 9 N 1.83 3.16 -3.33 5.56 -0.04 -1.26 -4.95 135.00 135.97 3k4v n PRO 9 Ca 0.12 -3.20 -0.38 0.00 -0.04 0.00 0.00 63.50 59.99 3k4v n PRO 9 Cb 0.30 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.27 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 3.73 4.34 0.22 1.53 1.43 -1.26 -1.21 118.68 127.46 3k4v s LEU 10 Ca 0.52 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 3k4v s LEU 10 Cb 0.05 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 3k4v s LEU 10 CO 0.05 0.08 0.00 0.68 0.23 0.00 0.00 176.35 177.39 3k4v s VAL 11 N 0.17 0.94 0.15 -1.59 -7.23 0.34 -4.92 120.40 108.26 3k4v s VAL 11 Ca 0.26 -2.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.15 3k4v s VAL 11 Cb -0.16 -2.33 -0.08 0.00 0.56 0.00 0.00 36.38 34.38 3k4v s VAL 11 CO 0.12 -0.32 0.82 -0.89 -0.31 0.00 0.00 175.10 174.52 3k4v s THR 12 N -3.48 4.38 0.25 5.32 2.01 -1.26 -0.85 115.64 122.01 3k4v s THR 12 Ca 0.28 1.80 0.10 0.00 0.31 0.00 0.00 61.69 64.18 3k4v s THR 12 Cb 0.06 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 3k4v s THR 12 CO 0.08 0.47 -0.16 0.27 -0.69 0.00 0.00 174.62 174.60 3k4v s ILE 13 N -0.86 2.09 -0.14 1.82 -4.36 0.52 -0.58 121.20 119.69 3k4v s ILE 13 Ca 0.38 -2.29 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 3k4v s ILE 13 Cb -0.23 -2.22 0.02 0.00 1.25 0.00 0.00 42.46 41.27 3k4v s ILE 13 CO 0.27 -0.46 -0.15 -0.75 0.24 0.00 0.00 174.94 174.08 3k4v s LYS 14 N -3.59 2.37 -0.05 0.37 2.20 0.57 -1.38 119.74 120.23 3k4v s LYS 14 Ca 0.27 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 55.25 3k4v s LYS 14 Cb -0.02 -2.10 0.03 0.00 -1.51 0.00 0.00 37.83 34.23 3k4v s LYS 14 CO 0.11 -0.17 0.13 -1.50 -0.36 0.00 0.00 175.35 173.56 3k4v s ILE 15 N 1.28 -0.03 -1.89 5.43 2.07 -0.23 -1.08 121.20 126.75 3k4v s ILE 15 Ca 0.01 0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 3k4v s ILE 15 Cb -0.14 -0.21 0.00 0.00 0.13 0.00 0.00 42.46 42.25 3k4v s ILE 15 CO -0.08 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 3k4v n GLY 16 N 3.75 0.60 2.01 1.50 0.00 -1.26 -1.11 105.19 110.68 3k4v n GLY 16 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.70 0.50 3.34 -0.02 0.00 -1.26 -5.02 105.19 102.02 3k4v n GLY 17 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 3k4v n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k4v s GLN 18 N -0.02 1.92 0.09 1.61 0.74 -0.27 -5.12 119.66 118.61 3k4v s GLN 18 Ca 0.00 -1.04 -0.22 0.00 0.05 0.00 0.00 55.36 54.15 3k4v s GLN 18 Cb 0.00 -2.01 -0.07 0.00 1.10 0.00 0.00 33.01 32.03 3k4v s GLN 18 CO 0.00 0.53 0.66 -0.51 -0.55 0.00 0.00 175.29 175.42 3k4v s LEU 19 N -1.05 4.53 0.15 3.68 1.02 -1.26 -1.07 118.68 124.67 3k4v s LEU 19 Ca 0.11 1.39 -0.05 0.00 0.02 0.00 0.00 54.13 55.61 3k4v s LEU 19 Cb -0.10 -3.06 -0.02 0.00 0.02 0.00 0.00 46.19 43.02 3k4v s LEU 19 CO 0.01 0.20 0.17 -0.54 0.02 0.00 0.00 176.35 176.21 3k4v s LYS 20 N -0.87 1.04 -0.06 1.70 1.02 -0.48 -4.98 119.74 117.12 3k4v s LYS 20 Ca 0.32 -1.31 -0.02 0.00 0.02 0.00 0.00 55.97 54.99 3k4v s LYS 20 Cb -0.21 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 3k4v s LYS 20 CO 0.22 -0.34 0.04 -1.83 -0.92 0.00 0.00 175.35 172.51 3k4v s GLU 21 N -4.01 3.04 0.06 1.68 -1.05 -1.26 -0.36 118.70 116.80 3k4v s GLU 21 Ca 0.21 -0.42 -0.07 0.00 -0.15 0.00 0.00 54.97 54.54 3k4v s GLU 21 Cb 0.05 -2.85 -0.01 0.00 -0.44 0.00 0.00 34.13 30.89 3k4v s GLU 21 CO 0.01 0.69 0.13 0.00 0.95 0.00 0.00 175.26 177.04 3k4v s ALA 22 N -1.02 -0.11 -0.24 -0.84 0.00 -0.03 -4.40 121.76 115.13 3k4v s ALA 22 Ca 0.17 -0.60 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 3k4v s ALA 22 Cb -0.12 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3k4v s ALA 22 CO 0.07 -0.40 0.42 -1.17 0.00 0.00 0.00 175.76 174.68 3k4v s LEU 23 N -2.46 4.10 -0.33 0.00 2.96 0.26 -0.51 118.68 122.69 3k4v s LEU 23 Ca -0.00 0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 54.07 3k4v s LEU 23 Cb 0.02 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.18 3k4v s LEU 23 CO -0.07 -0.16 1.49 -0.76 -1.32 0.00 0.00 176.35 175.53 3k4v s LEU 24 N 1.78 3.70 -0.28 -0.68 1.43 -0.35 -0.60 118.68 123.67 3k4v s LEU 24 Ca 0.18 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 3k4v s LEU 24 Cb -0.15 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.62 3k4v s LEU 24 CO 0.09 -1.37 0.04 -0.62 0.23 0.00 0.00 176.35 174.73 3k4v s ASP 25 N 4.10 4.02 0.25 2.29 -1.08 -0.25 -4.78 116.67 121.22 3k4v s ASP 25 Ca 0.65 -1.54 0.24 0.00 -0.52 0.00 0.00 52.55 51.39 3k4v s ASP 25 Cb -0.18 -1.07 0.95 0.00 -1.46 0.00 0.00 42.92 41.16 3k4v s ASP 25 CO 0.30 -0.35 1.73 0.35 0.52 0.00 0.00 175.17 177.72 3k4v n THR 26 N 4.70 0.77 1.28 1.71 -2.24 -1.26 -2.35 114.28 116.89 3k4v n THR 26 Ca -0.04 0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 3k4v n THR 26 Cb 0.43 -1.03 0.42 0.00 -2.10 0.00 0.00 70.33 68.05 3k4v n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k4v n GLY 27 N 0.30 -0.63 3.71 3.38 0.00 -1.26 -4.82 105.19 105.87 3k4v n GLY 27 Ca 0.03 -0.38 -0.36 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 -2.47 3.63 0.23 4.61 0.00 -0.99 -4.96 121.76 121.81 3k4v s ALA 28 Ca 0.26 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.66 3k4v s ALA 28 Cb 0.19 -2.33 0.22 0.00 0.00 0.00 0.00 23.12 21.21 3k4v s ALA 28 CO 0.50 0.02 1.54 -0.44 0.00 0.00 0.00 175.76 177.38 3k4v h ASP 29 N 6.91 0.14 -2.43 0.00 3.32 -1.88 0.58 116.42 123.05 3k4v h ASP 29 Ca -0.40 -0.09 -0.56 0.00 0.02 0.00 0.00 57.03 56.00 3k4v h ASP 29 Cb 1.16 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.53 3k4v h ASP 29 CO 0.74 0.77 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.53 3k4v s ASP 30 N -6.87 3.27 -0.22 6.45 1.01 -1.26 -2.90 116.67 116.15 3k4v s ASP 30 Ca -0.02 -1.16 -0.09 0.00 0.71 0.00 0.00 52.55 51.99 3k4v s ASP 30 Cb 0.12 -0.26 -0.05 0.00 1.01 0.00 0.00 42.92 43.74 3k4v s ASP 30 CO 0.79 -0.22 0.12 -0.89 0.21 0.00 0.00 175.17 175.18 3k4v s THR 31 N -2.77 5.13 -0.11 -1.27 2.01 -1.26 -3.12 115.64 114.24 3k4v s THR 31 Ca 0.30 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.40 3k4v s THR 31 Cb 0.02 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.19 3k4v s THR 31 CO 0.14 0.39 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.68 3k4v s VAL 32 N 0.80 1.13 0.03 3.82 1.01 -0.31 -0.96 120.40 125.91 3k4v s VAL 32 Ca 0.06 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3k4v s VAL 32 Cb -0.13 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3k4v s VAL 32 CO 0.02 0.38 -0.13 -0.63 0.00 0.00 0.00 175.10 174.74 3k4v s ILE 33 N 1.49 3.17 0.76 2.22 -1.09 0.11 -0.74 121.20 127.13 3k4v s ILE 33 Ca 0.02 -1.02 -0.15 0.00 -2.23 0.00 0.00 60.65 57.27 3k4v s ILE 33 Cb -0.13 -2.36 0.04 0.00 -1.58 0.00 0.00 42.46 38.43 3k4v s ILE 33 CO -0.06 0.35 1.10 -1.84 -1.23 0.00 0.00 174.94 173.26 3k4v n GLU 34 N 1.51 0.41 -1.63 2.79 0.28 -1.26 -1.20 120.64 121.54 3k4v n GLU 34 Ca -0.16 0.20 -0.50 0.00 -0.16 0.00 0.00 57.16 56.55 3k4v n GLU 34 Cb 0.52 -2.35 -0.05 0.00 1.43 0.00 0.00 31.44 30.99 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 -2.53 1.60 -3.57 3.44 4.07 -1.17 -4.59 120.64 117.89 3k4v n GLU 35 Ca 0.13 0.58 -0.12 0.00 -0.06 0.00 0.00 57.16 57.69 3k4v n GLU 35 Cb 0.50 -2.28 -0.04 0.00 -0.06 0.00 0.00 31.44 29.55 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 0.91 1.09 -0.77 5.31 0.23 -1.26 -5.03 119.30 119.78 3k4v s MET 36 Ca 0.83 -0.46 -0.25 0.00 -1.03 0.00 0.00 55.69 54.78 3k4v s MET 36 Cb -0.84 0.49 0.05 0.00 -1.53 0.00 0.00 34.83 33.01 3k4v s MET 36 CO 0.44 -0.43 1.21 -1.12 -2.03 0.00 0.00 175.02 173.09 3k4v s SER 37 N -2.44 6.24 -0.20 -1.18 0.01 -1.26 -5.00 113.70 109.87 3k4v s SER 37 Ca -0.01 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 56.39 3k4v s SER 37 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 3k4v s SER 37 CO -0.08 -1.64 -0.12 -0.22 0.41 0.00 0.00 173.24 171.60 3k4v s LEU 38 N 4.99 2.55 0.56 2.44 2.96 -1.26 -5.02 118.68 125.89 3k4v s LEU 38 Ca 0.33 -0.50 -0.19 0.00 -0.22 0.00 0.00 54.13 53.54 3k4v s LEU 38 Cb -0.09 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 3k4v s LEU 38 CO 0.08 -0.00 1.15 -2.16 -1.32 0.00 0.00 176.35 174.10 3k4v s PRO 39 N 1.36 3.26 0.00 0.98 0.04 -1.26 -4.94 135.00 134.44 3k4v s PRO 39 Ca 0.05 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.76 3k4v s PRO 39 Cb -0.14 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3k4v s PRO 39 CO -0.07 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.44 3k4v n GLY 40 N 0.25 4.37 3.76 0.56 0.00 -1.26 -5.08 105.19 107.79 3k4v n GLY 40 Ca 0.12 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 3k4v n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k4v s ARG 41 N -4.11 3.67 0.16 1.61 3.52 -1.26 -5.05 118.95 117.50 3k4v s ARG 41 Ca 0.00 2.05 -0.10 0.00 -0.13 0.00 0.00 55.73 57.55 3k4v s ARG 41 Cb 0.00 -2.50 -0.00 0.00 -1.56 0.00 0.00 34.95 30.89 3k4v s ARG 41 CO 0.00 -0.71 0.31 1.67 -0.81 0.00 0.00 175.30 175.76 3k4v s TRP 42 N -1.37 0.30 0.04 5.12 1.48 -1.26 -4.21 118.94 119.04 3k4v s TRP 42 Ca 0.63 -0.67 0.02 0.00 -1.06 0.00 0.00 56.10 55.03 3k4v s TRP 42 Cb -0.36 0.01 -0.02 0.00 -1.16 0.00 0.00 33.47 31.94 3k4v s TRP 42 CO 0.44 -0.73 -0.08 -1.59 -4.06 0.00 0.00 176.95 170.93 3k4v s LYS 43 N -3.94 0.53 0.33 3.25 -2.85 -0.38 -4.91 119.74 111.76 3k4v s LYS 43 Ca 0.15 -0.67 -0.27 0.00 -1.00 0.00 0.00 55.97 54.18 3k4v s LYS 43 Cb 0.03 -0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 35.36 3k4v s LYS 43 CO -0.01 0.07 1.06 -1.25 0.10 0.00 0.00 175.35 175.32 3k4v s PRO 44 N -1.33 4.47 0.06 1.78 0.04 -1.26 0.17 135.00 138.92 3k4v s PRO 44 Ca -0.07 1.65 -0.06 0.00 0.04 0.00 0.00 61.00 62.55 3k4v s PRO 44 Cb -0.09 -2.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 3k4v s PRO 44 CO 0.00 0.10 0.12 0.15 0.04 0.00 0.00 177.00 177.41 3k4v s LYS 45 N -1.86 0.71 -0.10 4.56 -0.14 -0.65 -4.89 119.74 117.37 3k4v s LYS 45 Ca 0.50 -0.92 0.01 0.00 -1.36 0.00 0.00 55.97 54.19 3k4v s LYS 45 Cb -0.27 0.28 -0.02 0.00 -1.68 0.00 0.00 37.83 36.14 3k4v s LYS 45 CO 0.34 -0.19 -0.13 1.41 -0.76 0.00 0.00 175.35 176.02 3k4v s MET 46 N -3.40 3.04 0.09 1.68 -2.45 -1.26 -0.38 119.30 116.62 3k4v s MET 46 Ca 0.02 -0.68 0.05 0.00 -1.25 0.00 0.00 55.69 53.83 3k4v s MET 46 Cb 0.03 -2.54 -0.03 0.00 1.25 0.00 0.00 34.83 33.54 3k4v s MET 46 CO -0.08 0.39 -0.14 0.96 1.05 0.00 0.00 175.02 177.19 3k4v s ILE 47 N -0.10 1.20 0.07 10.11 -4.36 -0.38 -4.96 121.20 122.77 3k4v s ILE 47 Ca -0.01 -1.49 0.09 0.00 -0.26 0.00 0.00 60.65 58.97 3k4v s ILE 47 Cb -0.14 -1.28 -0.03 0.00 1.25 0.00 0.00 42.46 42.26 3k4v s ILE 47 CO 0.04 -0.32 -0.22 -0.83 0.24 0.00 0.00 174.94 173.85 3k4v s GLY 48 N -2.06 1.55 0.00 6.27 0.00 -1.26 -0.45 107.32 111.37 3k4v s GLY 48 Ca 0.03 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.47 3k4v s GLY 48 CO 0.02 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.53 3k4v n GLY 49 N 1.38 4.73 0.29 0.20 0.00 -0.25 -5.00 105.19 106.54 3k4v n GLY 49 Ca -0.16 -1.74 0.03 0.00 0.00 0.00 0.00 46.02 44.15 3k4v n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3k4v h ILE 50 N 0.65 1.13 -0.52 -0.61 2.10 -2.04 -2.75 117.51 115.47 3k4v h ILE 50 Ca 0.00 -0.41 0.00 0.00 1.08 0.00 0.00 64.86 65.53 3k4v h ILE 50 Cb 0.00 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 36.48 3k4v h ILE 50 CO 0.00 0.16 0.00 0.61 -1.08 0.00 0.00 178.15 177.84 3k4v n GLY 51 N -1.25 2.20 0.00 8.18 0.00 -1.26 -5.06 105.19 108.00 3k4v n GLY 51 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 1.31 0.79 3.49 -0.02 0.00 -1.04 -5.12 105.19 104.61 3k4v n GLY 52 Ca 0.19 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.51 2.55 0.20 1.61 0.40 -1.26 -1.09 117.98 117.88 3k4v s PHE 53 Ca 0.00 -0.26 0.08 0.00 -0.60 0.00 0.00 56.93 56.15 3k4v s PHE 53 Cb 0.00 -1.35 -0.05 0.00 0.51 0.00 0.00 43.02 42.13 3k4v s PHE 53 CO 0.00 0.39 -0.14 0.96 0.70 0.00 0.00 175.22 177.13 3k4v s ILE 54 N -1.15 1.70 -0.09 0.64 -4.36 0.40 -4.95 121.20 113.39 3k4v s ILE 54 Ca 0.18 -2.20 -0.13 0.00 -0.26 0.00 0.00 60.65 58.24 3k4v s ILE 54 Cb -0.11 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 3k4v s ILE 54 CO 0.10 -0.60 0.30 -0.54 0.24 0.00 0.00 174.94 174.44 3k4v s LYS 55 N -3.65 3.95 0.18 0.37 1.02 -1.26 -1.24 119.74 119.10 3k4v s LYS 55 Ca 0.22 0.16 0.03 0.00 0.02 0.00 0.00 55.97 56.41 3k4v s LYS 55 Cb -0.00 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 3k4v s LYS 55 CO 0.06 0.52 -0.03 0.14 -0.92 0.00 0.00 175.35 175.12 3k4v s VAL 56 N -0.42 0.93 -0.22 3.17 -7.23 0.49 -4.37 120.40 112.75 3k4v s VAL 56 Ca 0.19 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.18 3k4v s VAL 56 Cb -0.14 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 3k4v s VAL 56 CO 0.07 -0.53 0.41 -0.13 -0.31 0.00 0.00 175.10 174.62 3k4v s ARG 57 N -3.85 4.14 -0.33 4.82 0.52 0.11 -1.64 118.95 122.72 3k4v s ARG 57 Ca 0.22 0.20 -0.17 0.00 -0.52 0.00 0.00 55.73 55.46 3k4v s ARG 57 Cb 0.05 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 3k4v s ARG 57 CO 0.04 -0.12 0.46 -1.14 0.02 0.00 0.00 175.30 174.56 3k4v s GLN 58 N 1.58 3.68 -0.22 3.54 0.74 0.13 -0.59 119.66 128.52 3k4v s GLN 58 Ca 0.19 -0.16 -0.08 0.00 0.05 0.00 0.00 55.36 55.35 3k4v s GLN 58 Cb -0.15 -3.78 -0.04 0.00 1.10 0.00 0.00 33.01 30.14 3k4v s GLN 58 CO 0.08 -0.55 0.10 0.71 -0.55 0.00 0.00 175.29 175.08 3k4v s TYR 59 N 2.26 3.22 0.34 1.67 1.51 0.03 -1.25 117.35 125.12 3k4v s TYR 59 Ca 0.17 -0.02 -0.00 0.00 -1.01 0.00 0.00 57.07 56.21 3k4v s TYR 59 Cb -0.16 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 3k4v s TYR 59 CO 0.12 -0.04 0.54 -0.51 -1.11 0.00 0.00 175.55 174.56 3k4v s ASP 60 N 1.00 6.31 -1.40 2.29 1.01 -1.26 -1.25 116.67 123.37 3k4v s ASP 60 Ca 0.05 0.47 -0.02 0.00 0.71 0.00 0.00 52.55 53.76 3k4v s ASP 60 Cb -0.14 -2.04 0.01 0.00 1.01 0.00 0.00 42.92 41.77 3k4v s ASP 60 CO 0.03 -0.28 0.56 0.00 0.21 0.00 0.00 175.17 175.70 3k4v n GLN 61 N -1.67 -3.93 -3.11 8.23 6.02 -1.18 -4.92 117.38 116.82 3k4v n GLN 61 Ca -0.04 0.48 -0.39 0.00 -0.01 0.00 0.00 57.00 57.03 3k4v n GLN 61 Cb 0.56 -4.82 -0.05 0.00 1.02 0.00 0.00 30.24 26.94 3k4v n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3k4v s ILE 62 N -3.79 4.82 -0.11 5.09 -1.09 -0.20 -4.74 121.20 121.18 3k4v s ILE 62 Ca 0.09 1.42 -0.23 0.00 -2.23 0.00 0.00 60.65 59.69 3k4v s ILE 62 Cb -0.04 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 3k4v s ILE 62 CO 0.86 0.40 0.72 -0.63 -1.23 0.00 0.00 174.94 175.06 3k4v s ILE 63 N -0.16 5.01 -0.02 2.92 1.01 -1.26 -1.20 121.20 127.49 3k4v s ILE 63 Ca 0.34 1.45 -0.03 0.00 0.00 0.00 0.00 60.65 62.41 3k4v s ILE 63 Cb -0.19 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3k4v s ILE 63 CO 0.20 0.18 0.06 -0.51 0.00 0.00 0.00 174.94 174.87 3k4v s ILE 64 N 1.26 0.03 -0.10 2.92 2.07 -0.60 -4.48 121.20 122.29 3k4v s ILE 64 Ca 0.36 -0.22 -0.00 0.00 -1.41 0.00 0.00 60.65 59.38 3k4v s ILE 64 Cb -0.17 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.22 3k4v s ILE 64 CO 0.16 -0.12 -0.09 -0.70 -1.91 0.00 0.00 174.94 172.28 3k4v s GLU 65 N -0.36 3.10 -0.22 3.50 2.12 -0.24 -0.75 118.70 125.86 3k4v s GLU 65 Ca -0.04 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.70 3k4v s GLU 65 Cb -0.03 -2.65 0.05 0.00 0.26 0.00 0.00 34.13 31.76 3k4v s GLU 65 CO 0.00 0.44 -0.08 0.42 -0.54 0.00 0.00 175.26 175.51 3k4v s ILE 66 N -0.22 1.59 -1.66 -3.70 1.01 0.01 -0.31 121.20 117.92 3k4v s ILE 66 Ca 0.02 -1.13 -0.13 0.00 0.00 0.00 0.00 60.65 59.42 3k4v s ILE 66 Cb -0.13 -1.76 0.12 0.00 0.01 0.00 0.00 42.46 40.69 3k4v s ILE 66 CO 0.03 0.03 0.50 0.00 0.00 0.00 0.00 174.94 175.50 3k4v n ALA 67 N 4.67 -1.55 -0.55 9.38 0.00 0.26 -0.20 120.51 132.52 3k4v n ALA 67 Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3k4v n ALA 67 Cb 0.45 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 -1.68 1.58 3.76 0.00 0.00 -1.26 -5.03 105.19 102.56 3k4v n GLY 68 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.43 3.48 0.38 1.61 4.02 0.71 -5.07 115.29 116.99 3k4v s HIS 69 Ca 0.00 0.49 -0.24 0.00 1.02 0.00 0.00 55.06 56.34 3k4v s HIS 69 Cb 0.00 -2.20 -0.10 0.00 -1.02 0.00 0.00 32.58 29.26 3k4v s HIS 69 CO 0.00 0.37 0.95 0.15 1.02 0.00 0.00 174.74 177.23 3k4v s LYS 70 N 0.09 4.40 0.08 1.40 1.02 -1.26 -0.81 119.74 124.65 3k4v s LYS 70 Ca 0.13 1.23 -0.09 0.00 0.02 0.00 0.00 55.97 57.26 3k4v s LYS 70 Cb -0.12 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3k4v s LYS 70 CO 0.02 0.11 0.20 0.00 -0.92 0.00 0.00 175.35 174.76 3k4v s ALA 71 N -1.89 -0.28 -0.05 5.17 0.00 0.07 -4.77 121.76 120.01 3k4v s ALA 71 Ca 0.56 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 3k4v s ALA 71 Cb -0.14 0.44 0.03 0.00 0.00 0.00 0.00 23.12 23.45 3k4v s ALA 71 CO 0.19 -0.48 0.00 0.42 0.00 0.00 0.00 175.76 175.89 3k4v s ILE 72 N -3.53 0.26 0.00 0.00 1.01 -1.26 -1.56 121.20 116.12 3k4v s ILE 72 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.80 3k4v s ILE 72 Cb 0.03 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.11 3k4v s ILE 72 CO -0.09 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.67 3k4v n GLY 73 N 4.71 0.83 3.73 6.18 0.00 -0.34 -4.87 105.19 115.42 3k4v n GLY 73 Ca -0.15 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.19 4.63 -0.05 2.61 2.01 -1.26 -1.03 115.64 120.36 3k4v s THR 74 Ca 0.00 1.92 0.05 0.00 0.31 0.00 0.00 61.69 63.97 3k4v s THR 74 Cb 0.00 -4.25 -0.00 0.00 0.01 0.00 0.00 72.50 68.25 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 0.14 1.57 -0.20 3.82 1.01 -0.38 -4.49 120.40 121.87 3k4v s VAL 75 Ca 0.45 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 3k4v s VAL 75 Cb -0.22 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 3k4v s VAL 75 CO 0.27 0.45 0.11 -0.76 0.00 0.00 0.00 175.10 175.17 3k4v s LEU 76 N 0.02 4.00 -0.17 3.92 1.43 -0.14 -0.79 118.68 126.96 3k4v s LEU 76 Ca -0.05 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3k4v s LEU 76 Cb -0.12 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 3k4v s LEU 76 CO 0.03 0.15 -0.05 -0.69 0.23 0.00 0.00 176.35 176.02 3k4v s VAL 77 N 0.53 3.62 0.00 -1.59 1.01 0.25 0.09 120.40 124.31 3k4v s VAL 77 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3k4v s VAL 77 Cb -0.12 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.66 3k4v s VAL 77 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3k4v n GLY 78 N 3.93 0.58 2.77 4.51 0.00 -0.34 0.07 105.19 116.72 3k4v n GLY 78 Ca -0.18 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 2.76 -3.88 1.61 -0.04 -1.26 -3.02 135.00 131.17 3k4v n PRO 79 Ca 0.00 -2.56 -0.33 0.00 -0.04 0.00 0.00 63.50 60.57 3k4v n PRO 79 Cb 0.00 -3.27 -0.05 0.00 -0.04 0.00 0.00 33.50 30.14 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 3.35 5.41 -0.13 0.52 -1.32 -1.26 -5.01 115.64 117.20 3k4v s THR 80 Ca 0.48 -0.12 0.25 0.00 -1.21 0.00 0.00 61.69 61.09 3k4v s THR 80 Cb 0.14 -3.55 0.29 0.00 -1.51 0.00 0.00 72.50 67.86 3k4v s THR 80 CO -0.07 0.31 1.73 1.55 -2.21 0.00 0.00 174.62 175.93 3k4v h PRO 81 N 3.77 0.00 -4.01 7.08 0.13 -1.99 -3.43 132.00 133.56 3k4v h PRO 81 Ca -0.49 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.34 3k4v h PRO 81 Cb 1.19 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.02 3k4v h PRO 81 CO 0.69 0.13 -0.74 0.08 -0.23 0.00 0.00 178.00 177.93 3k4v s VAL 82 N -3.38 0.25 0.12 1.56 1.01 -1.26 -5.06 120.40 113.63 3k4v s VAL 82 Ca 0.04 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 3k4v s VAL 82 Cb 0.08 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 36.14 3k4v s VAL 82 CO 0.64 0.09 1.28 0.20 0.00 0.00 0.00 175.10 177.31 3k4v s ASN 83 N 0.18 6.97 -0.11 3.32 0.01 -1.26 -4.74 114.94 119.31 3k4v s ASN 83 Ca -0.02 2.20 0.03 0.00 -0.71 0.00 0.00 52.86 54.37 3k4v s ASN 83 Cb -0.04 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.04 3k4v s ASN 83 CO -0.00 -0.53 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.24 3k4v s ILE 84 N 0.79 1.76 -0.35 0.60 1.01 0.08 -0.58 121.20 124.51 3k4v s ILE 84 Ca 0.60 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 3k4v s ILE 84 Cb -0.33 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 3k4v s ILE 84 CO 0.32 0.49 0.30 -0.63 0.00 0.00 0.00 174.94 175.42 3k4v s ILE 85 N 0.71 5.23 0.30 2.92 -1.09 0.23 -1.17 121.20 128.34 3k4v s ILE 85 Ca -0.11 -0.20 0.04 0.00 -2.23 0.00 0.00 60.65 58.15 3k4v s ILE 85 Cb -0.16 -3.80 0.05 0.00 -1.58 0.00 0.00 42.46 36.98 3k4v s ILE 85 CO 0.02 -0.10 0.41 0.61 -1.23 0.00 0.00 174.94 174.65 3k4v n GLY 86 N 5.07 1.70 0.25 6.18 0.00 -1.18 -1.09 105.19 116.11 3k4v n GLY 86 Ca -0.11 -2.14 0.09 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.30 1.61 3.08 -0.93 -0.81 114.38 117.03 3k4v h ARG 87 Ca -0.14 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.95 3k4v h ARG 87 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3k4v h ARG 87 CO 0.19 0.14 0.21 -2.95 -1.07 0.00 0.00 179.97 176.48 3k4v h ASN 88 N 0.00 0.22 0.00 7.04 -1.07 -1.79 -1.81 115.58 118.17 3k4v h ASN 88 Ca -0.00 -0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.18 3k4v h ASN 88 Cb 0.30 -0.05 -0.04 0.00 -2.07 0.00 0.00 38.32 36.46 3k4v h ASN 88 CO 0.02 0.15 -2.04 0.18 0.07 0.00 0.00 177.43 175.81 3k4v n LEU 89 N -4.49 0.00 -0.01 6.14 4.77 -0.87 -4.30 117.00 118.24 3k4v n LEU 89 Ca 0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 3k4v n LEU 89 Cb 0.19 0.26 0.37 0.00 -2.33 0.00 0.00 43.42 41.91 3k4v n LEU 89 CO 0.35 0.26 1.08 -0.07 -1.33 0.00 0.00 177.39 177.68 3k4v h LEU 90 N 0.00 0.49 -1.20 2.23 3.38 -0.88 -1.11 115.31 118.22 3k4v h LEU 90 Ca -0.28 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 3k4v h LEU 90 Cb 1.58 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 3k4v h LEU 90 CO 0.02 0.43 -0.33 0.71 0.09 0.00 0.00 178.44 179.36 3k4v h THR 91 N 0.55 0.91 0.00 0.22 1.35 -1.55 -1.15 112.91 113.23 3k4v h THR 91 Ca 0.14 -1.28 -0.07 0.00 -0.55 0.00 0.00 66.41 64.65 3k4v h THR 91 Cb 0.07 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 3k4v h THR 91 CO -0.02 0.32 -0.34 1.56 -0.25 0.00 0.00 175.52 176.80 3k4v h GLN 92 N 0.00 0.00 -0.70 4.72 4.20 -1.39 -3.07 115.11 118.87 3k4v h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k4v h GLN 92 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3k4v h GLN 92 CO 0.04 0.34 0.00 0.44 -0.67 0.00 0.00 178.83 178.98 3k4v n ILE 93 N -3.41 1.20 -1.12 2.54 -5.35 -1.09 -4.94 119.36 107.18 3k4v n ILE 93 Ca 0.00 -1.05 0.00 0.00 -0.27 0.00 0.00 62.75 61.43 3k4v n ILE 93 Cb 0.52 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 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 1.47 0.46 3.76 3.28 0.00 -1.11 -5.01 105.19 108.04 3k4v n GLY 94 Ca 0.24 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 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 3.30 0.06 4.61 0.00 -0.46 -5.04 121.76 122.23 3k4v s ALA 95 Ca 0.00 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.67 3k4v s ALA 95 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3k4v s ALA 95 CO 0.00 0.01 -0.04 0.95 0.00 0.00 0.00 175.76 176.68 3k4v s THR 96 N -1.33 0.30 -0.16 0.00 -4.23 -1.26 -4.76 115.64 104.19 3k4v s THR 96 Ca 0.47 -1.77 -0.09 0.00 -1.18 0.00 0.00 61.69 59.11 3k4v s THR 96 Cb -0.26 -1.47 -0.05 0.00 1.34 0.00 0.00 72.50 72.06 3k4v s THR 96 CO 0.33 -0.94 0.15 -0.22 -0.54 0.00 0.00 174.62 173.39 3k4v s LEU 97 N -2.85 4.29 -0.01 4.79 2.96 -1.26 -5.09 118.68 121.51 3k4v s LEU 97 Ca 0.06 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.36 3k4v s LEU 97 Cb 0.06 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 3k4v s LEU 97 CO -0.08 0.27 -0.10 0.20 -1.32 0.00 0.00 176.35 175.31 3k4v s ASN 98 N -0.20 1.20 0.00 3.68 0.02 -1.26 -5.30 114.94 113.09 3k4v s ASN 98 Ca 0.11 -0.19 0.00 0.00 -1.02 0.00 0.00 52.86 51.77 3k4v s ASN 98 Cb -0.12 -0.14 0.00 0.00 0.02 0.00 0.00 41.25 41.01 3k4v s ASN 98 CO 0.01 0.12 0.00 2.22 0.02 0.00 0.00 177.10 179.47