#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 3.54 -0.29 0.54 -0.21 -1.26 -5.06 119.66 116.92 3k4v s GLN 2 Ca 0.00 -0.19 -0.07 0.00 0.02 0.00 0.00 55.36 55.11 3k4v s GLN 2 Cb 0.00 -3.02 0.00 0.00 1.00 0.00 0.00 33.01 30.99 3k4v s GLN 2 CO 0.00 0.60 0.09 0.42 -2.12 0.00 0.00 175.29 174.28 3k4v s ILE 3 N -1.43 4.11 0.77 1.08 1.01 -1.26 -5.09 121.20 120.40 3k4v s ILE 3 Ca 0.32 -0.57 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 3k4v s ILE 3 Cb -0.13 -3.09 0.08 0.00 0.01 0.00 0.00 42.46 39.34 3k4v s ILE 3 CO 0.21 0.12 1.11 0.42 0.00 0.00 0.00 174.94 176.80 3k4v s THR 4 N 1.54 2.13 -0.10 2.92 -4.23 -1.26 -5.04 115.64 111.59 3k4v s THR 4 Ca 0.04 -0.15 0.15 0.00 -1.18 0.00 0.00 61.69 60.55 3k4v s THR 4 Cb -0.17 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 70.92 3k4v s THR 4 CO 0.03 0.00 1.12 0.18 -0.54 0.00 0.00 174.62 175.41 3k4v n LEU 5 N -3.16 1.85 0.22 4.79 4.77 -1.26 -4.64 117.00 119.57 3k4v n LEU 5 Ca 0.09 -2.67 0.06 0.00 -0.03 0.00 0.00 56.01 53.47 3k4v n LEU 5 Cb 0.61 -0.34 0.50 0.00 -2.33 0.00 0.00 43.42 41.85 3k4v n LEU 5 CO 0.53 0.63 0.84 -0.50 -1.33 0.00 0.00 177.39 177.57 3k4v h TRP 6 N 0.04 0.00 -2.64 -1.77 4.06 -2.06 -3.44 115.95 110.15 3k4v h TRP 6 Ca -0.00 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.45 3k4v h TRP 6 Cb 1.09 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.11 3k4v h TRP 6 CO 0.05 0.25 -0.71 0.15 -3.56 0.00 0.00 178.44 174.61 3k4v s LYS 7 N -4.30 1.49 0.25 0.49 -0.14 -1.26 -5.09 119.74 111.17 3k4v s LYS 7 Ca -0.03 -1.71 -0.31 0.00 -1.36 0.00 0.00 55.97 52.56 3k4v s LYS 7 Cb 0.14 -1.26 -0.12 0.00 -1.68 0.00 0.00 37.83 34.91 3k4v s LYS 7 CO 0.68 0.15 1.58 0.54 -0.76 0.00 0.00 175.35 177.54 3k4v n ARG 8 N -0.51 2.49 -1.50 1.68 1.74 -1.26 -4.84 116.66 114.45 3k4v n ARG 8 Ca -0.06 0.89 -0.42 0.00 -0.77 0.00 0.00 57.85 57.49 3k4v n ARG 8 Cb 0.62 -2.66 -0.03 0.00 -1.02 0.00 0.00 32.46 29.37 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 2.67 2.08 -3.12 5.56 -0.04 -1.26 -4.94 135.00 135.94 3k4v n PRO 9 Ca 0.12 -2.23 -0.39 0.00 -0.04 0.00 0.00 63.50 60.95 3k4v n PRO 9 Cb 0.34 -3.14 -0.06 0.00 -0.04 0.00 0.00 33.50 30.60 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 2.40 4.50 0.16 1.53 1.43 -1.26 -1.17 118.68 126.28 3k4v s LEU 10 Ca 0.54 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 3k4v s LEU 10 Cb 0.13 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 3k4v s LEU 10 CO 0.04 0.16 -0.00 0.68 0.23 0.00 0.00 176.35 177.47 3k4v s VAL 11 N -0.69 0.63 0.07 -1.59 -7.23 0.22 -4.96 120.40 106.85 3k4v s VAL 11 Ca 0.33 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 58.30 3k4v s VAL 11 Cb -0.20 -2.05 -0.06 0.00 0.56 0.00 0.00 36.38 34.62 3k4v s VAL 11 CO 0.21 -0.53 0.71 -0.89 -0.31 0.00 0.00 175.10 174.30 3k4v s THR 12 N -3.69 4.66 0.25 5.32 2.01 -1.26 -1.05 115.64 121.88 3k4v s THR 12 Ca 0.22 1.53 0.10 0.00 0.31 0.00 0.00 61.69 63.85 3k4v s THR 12 Cb 0.06 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 3k4v s THR 12 CO 0.03 0.44 -0.16 0.27 -0.69 0.00 0.00 174.62 174.50 3k4v s ILE 13 N -0.52 2.08 -0.11 1.82 -4.36 0.70 -0.82 121.20 119.99 3k4v s ILE 13 Ca 0.35 -2.30 0.01 0.00 -0.26 0.00 0.00 60.65 58.46 3k4v s ILE 13 Cb -0.21 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.33 3k4v s ILE 13 CO 0.22 -0.48 -0.13 -0.75 0.24 0.00 0.00 174.94 174.04 3k4v s LYS 14 N -3.59 2.03 -0.06 0.37 2.20 -0.03 -1.07 119.74 119.59 3k4v s LYS 14 Ca 0.26 -0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 55.34 3k4v s LYS 14 Cb -0.02 -1.80 0.02 0.00 -1.51 0.00 0.00 37.83 34.52 3k4v s LYS 14 CO 0.11 -0.11 0.15 -1.50 -0.36 0.00 0.00 175.35 173.64 3k4v s ILE 15 N 1.14 -0.02 -0.87 5.43 2.07 -0.43 -1.09 121.20 127.44 3k4v s ILE 15 Ca -0.04 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 3k4v s ILE 15 Cb -0.14 -0.23 0.00 0.00 0.13 0.00 0.00 42.46 42.22 3k4v s ILE 15 CO -0.03 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 3k4v n GLY 16 N 3.40 0.86 2.09 1.50 0.00 -1.26 -1.22 105.19 110.55 3k4v n GLY 16 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.25 0.79 3.67 -0.02 0.00 -1.26 -5.04 105.19 103.09 3k4v n GLY 17 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.21 2.89 -0.04 1.61 0.74 -0.36 -5.11 119.66 119.18 3k4v s GLN 18 Ca 0.00 -0.48 -0.23 0.00 0.05 0.00 0.00 55.36 54.70 3k4v s GLN 18 Cb 0.00 -2.73 -0.04 0.00 1.10 0.00 0.00 33.01 31.34 3k4v s GLN 18 CO 0.00 0.68 0.67 -0.51 -0.55 0.00 0.00 175.29 175.58 3k4v s LEU 19 N -1.06 4.36 0.22 3.68 1.43 -1.26 -1.31 118.68 124.73 3k4v s LEU 19 Ca 0.15 1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 54.44 3k4v s LEU 19 Cb -0.11 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 3k4v s LEU 19 CO 0.04 -0.04 0.16 -0.54 0.23 0.00 0.00 176.35 176.20 3k4v s LYS 20 N 0.44 1.27 -0.04 1.70 1.02 -0.24 -4.98 119.74 118.92 3k4v s LYS 20 Ca 0.35 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.69 3k4v s LYS 20 Cb -0.18 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.38 3k4v s LYS 20 CO 0.18 -0.43 -0.02 -2.00 -0.92 0.00 0.00 175.35 172.17 3k4v s GLU 21 N -4.08 2.83 0.13 1.68 2.12 -1.26 -0.22 118.70 119.90 3k4v s GLU 21 Ca 0.39 -0.54 -0.11 0.00 0.36 0.00 0.00 54.97 55.06 3k4v s GLU 21 Cb 0.06 -2.68 0.01 0.00 0.26 0.00 0.00 34.13 31.78 3k4v s GLU 21 CO 0.14 0.66 0.29 0.00 -0.54 0.00 0.00 175.26 175.80 3k4v s ALA 22 N -0.97 -0.38 -0.21 6.30 0.00 -0.22 -4.49 121.76 121.80 3k4v s ALA 22 Ca 0.16 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 3k4v s ALA 22 Cb -0.11 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 3k4v s ALA 22 CO 0.06 -0.60 0.23 -1.17 0.00 0.00 0.00 175.76 174.28 3k4v s LEU 23 N -2.88 4.17 -0.27 0.00 2.96 0.91 -0.61 118.68 122.97 3k4v s LEU 23 Ca 0.08 0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 54.01 3k4v s LEU 23 Cb 0.03 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.48 3k4v s LEU 23 CO -0.08 0.07 1.21 -0.76 -1.32 0.00 0.00 176.35 175.47 3k4v s LEU 24 N 0.83 3.98 -0.40 -0.68 1.43 -0.31 -0.14 118.68 123.39 3k4v s LEU 24 Ca 0.12 1.29 0.01 0.00 -1.03 0.00 0.00 54.13 54.53 3k4v s LEU 24 Cb -0.13 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.67 3k4v s LEU 24 CO 0.04 -0.92 0.20 -0.62 0.23 0.00 0.00 176.35 175.28 3k4v s ASP 25 N 2.15 3.76 0.33 2.29 -1.08 -0.14 -4.78 116.67 119.19 3k4v s ASP 25 Ca 0.52 -2.35 0.26 0.00 -0.52 0.00 0.00 52.55 50.46 3k4v s ASP 25 Cb -0.16 -0.99 1.05 0.00 -1.46 0.00 0.00 42.92 41.36 3k4v s ASP 25 CO 0.17 -0.31 1.78 0.71 0.52 0.00 0.00 175.17 178.05 3k4v h THR 26 N 5.59 0.00 -0.31 1.71 1.35 -1.94 -2.20 112.91 117.12 3k4v h THR 26 Ca -0.04 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3k4v h THR 26 Cb 0.95 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3k4v h THR 26 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3k4v n GLY 27 N 0.13 0.60 3.47 5.82 0.00 -1.26 -4.82 105.19 109.13 3k4v n GLY 27 Ca 0.02 -0.41 -0.33 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 -1.59 2.87 0.22 4.61 0.00 -0.83 -4.99 121.76 122.04 3k4v s ALA 28 Ca 0.27 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.40 3k4v s ALA 28 Cb 0.14 -1.38 0.19 0.00 0.00 0.00 0.00 23.12 22.08 3k4v s ALA 28 CO 0.20 0.29 1.53 -0.44 0.00 0.00 0.00 175.76 177.34 3k4v h ASP 29 N 6.43 0.35 -2.26 0.00 3.32 -1.88 0.69 116.42 123.08 3k4v h ASP 29 Ca -0.32 -0.20 -0.59 0.00 0.02 0.00 0.00 57.03 55.93 3k4v h ASP 29 Cb 1.19 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 3k4v h ASP 29 CO 0.59 0.88 -0.73 -1.81 -1.72 0.00 0.00 179.24 176.45 3k4v s ASP 30 N -6.91 3.50 -0.21 6.45 1.01 -1.26 -2.86 116.67 116.39 3k4v s ASP 30 Ca -0.05 -1.08 -0.13 0.00 0.71 0.00 0.00 52.55 52.00 3k4v s ASP 30 Cb 0.12 -0.29 -0.04 0.00 1.01 0.00 0.00 42.92 43.71 3k4v s ASP 30 CO 0.81 -0.05 0.28 -0.89 0.21 0.00 0.00 175.17 175.53 3k4v s THR 31 N -2.59 5.28 -0.08 -1.27 2.01 -1.26 -3.19 115.64 114.53 3k4v s THR 31 Ca 0.30 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.77 3k4v s THR 31 Cb -0.02 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.89 3k4v s THR 31 CO 0.15 0.31 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 3k4v s VAL 32 N 1.07 0.99 0.03 3.82 1.01 -0.41 -0.99 120.40 125.92 3k4v s VAL 32 Ca 0.14 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.87 3k4v s VAL 32 Cb -0.14 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3k4v s VAL 32 CO 0.06 0.34 -0.25 -0.63 0.00 0.00 0.00 175.10 174.62 3k4v s ILE 33 N 1.18 2.03 0.95 2.22 -1.09 0.00 -0.68 121.20 125.81 3k4v s ILE 33 Ca -0.05 -1.29 -0.11 0.00 -2.23 0.00 0.00 60.65 56.96 3k4v s ILE 33 Cb -0.14 -1.73 0.10 0.00 -1.58 0.00 0.00 42.46 39.11 3k4v s ILE 33 CO -0.02 0.38 0.79 -1.84 -1.23 0.00 0.00 174.94 173.02 3k4v n GLU 34 N 1.93 -0.49 -1.61 2.79 0.28 -1.25 -0.78 120.64 121.51 3k4v n GLU 34 Ca -0.17 -0.09 -0.54 0.00 -0.16 0.00 0.00 57.16 56.20 3k4v n GLU 34 Cb 0.52 -2.13 -0.07 0.00 1.43 0.00 0.00 31.44 31.20 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 -3.12 0.98 -3.47 3.44 4.07 -1.21 -4.43 120.64 116.90 3k4v n GLU 35 Ca 0.09 0.35 -0.13 0.00 -0.06 0.00 0.00 57.16 57.41 3k4v n GLU 35 Cb 0.53 -1.98 -0.03 0.00 -0.06 0.00 0.00 31.44 29.89 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 1.07 1.20 -0.28 5.31 0.23 -1.26 -5.03 119.30 120.54 3k4v s MET 36 Ca 0.88 -0.30 -0.29 0.00 -1.03 0.00 0.00 55.69 54.96 3k4v s MET 36 Cb -1.03 0.55 0.01 0.00 -1.53 0.00 0.00 34.83 32.83 3k4v s MET 36 CO 0.52 -0.48 1.14 -1.12 -2.03 0.00 0.00 175.02 173.05 3k4v s SER 37 N -2.33 6.91 -0.15 -1.18 0.01 -1.26 -5.01 113.70 110.69 3k4v s SER 37 Ca -0.02 1.22 0.01 0.00 1.31 0.00 0.00 55.95 58.46 3k4v s SER 37 Cb -0.01 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.70 3k4v s SER 37 CO -0.07 -0.87 -0.16 -0.22 0.41 0.00 0.00 173.24 172.34 3k4v s LEU 38 N 3.69 1.78 0.66 2.44 2.96 -1.26 -4.97 118.68 123.98 3k4v s LEU 38 Ca 0.48 -0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 53.72 3k4v s LEU 38 Cb -0.15 -1.24 -0.00 0.00 0.50 0.00 0.00 46.19 45.30 3k4v s LEU 38 CO 0.15 -0.04 1.14 -2.16 -1.32 0.00 0.00 176.35 174.12 3k4v s PRO 39 N 1.42 2.73 0.00 0.98 0.04 -1.26 -4.91 135.00 133.99 3k4v s PRO 39 Ca 0.04 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.61 3k4v s PRO 39 Cb -0.13 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3k4v s PRO 39 CO -0.11 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.01 3k4v n GLY 40 N -0.17 3.09 3.80 0.56 0.00 -1.26 -5.07 105.19 106.14 3k4v n GLY 40 Ca 0.11 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.33 4.27 0.23 1.61 0.52 -1.26 -5.08 118.95 116.90 3k4v s ARG 41 Ca 0.00 1.28 -0.04 0.00 -0.52 0.00 0.00 55.73 56.45 3k4v s ARG 41 Cb 0.00 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 3k4v s ARG 41 CO 0.00 -0.01 0.27 1.67 0.02 0.00 0.00 175.30 177.25 3k4v s TRP 42 N -1.90 0.95 0.03 -0.53 1.48 -1.26 -4.39 118.94 113.32 3k4v s TRP 42 Ca 0.59 -1.19 -0.05 0.00 -1.06 0.00 0.00 56.10 54.38 3k4v s TRP 42 Cb -0.15 -0.31 -0.01 0.00 -1.16 0.00 0.00 33.47 31.84 3k4v s TRP 42 CO 0.19 -0.79 0.08 -1.59 -4.06 0.00 0.00 176.95 170.78 3k4v s LYS 43 N -4.00 0.55 0.35 3.25 -2.85 -0.80 -4.91 119.74 111.33 3k4v s LYS 43 Ca 0.34 -0.72 -0.26 0.00 -1.00 0.00 0.00 55.97 54.33 3k4v s LYS 43 Cb 0.04 0.21 -0.09 0.00 -2.06 0.00 0.00 37.83 35.93 3k4v s LYS 43 CO 0.13 -0.13 1.06 -1.25 0.10 0.00 0.00 175.35 175.25 3k4v s PRO 44 N -2.40 4.35 0.02 1.78 0.04 -1.26 -0.01 135.00 137.51 3k4v s PRO 44 Ca -0.07 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.44 3k4v s PRO 44 Cb -0.02 -2.78 0.02 0.00 0.04 0.00 0.00 34.50 31.76 3k4v s PRO 44 CO -0.04 0.00 0.27 0.15 0.04 0.00 0.00 177.00 177.43 3k4v s LYS 45 N -2.11 0.72 -0.11 4.56 -0.14 -0.91 -4.87 119.74 116.87 3k4v s LYS 45 Ca 0.53 -0.43 -0.04 0.00 -1.36 0.00 0.00 55.97 54.67 3k4v s LYS 45 Cb -0.25 0.31 -0.04 0.00 -1.68 0.00 0.00 37.83 36.17 3k4v s LYS 45 CO 0.32 -0.21 0.05 -1.64 -0.76 0.00 0.00 175.35 173.10 3k4v s MET 46 N -2.10 3.27 0.11 1.68 -1.94 -1.26 -0.76 119.30 118.29 3k4v s MET 46 Ca -0.08 -0.32 0.04 0.00 -1.71 0.00 0.00 55.69 53.61 3k4v s MET 46 Cb -0.03 -2.97 -0.04 0.00 2.01 0.00 0.00 34.83 33.81 3k4v s MET 46 CO -0.01 0.65 -0.10 0.96 -0.01 0.00 0.00 175.02 176.51 3k4v s ILE 47 N -0.71 0.99 0.28 2.53 -4.36 -0.38 -4.97 121.20 114.58 3k4v s ILE 47 Ca 0.12 -1.73 0.07 0.00 -0.26 0.00 0.00 60.65 58.85 3k4v s ILE 47 Cb -0.12 -1.47 -0.06 0.00 1.25 0.00 0.00 42.46 42.07 3k4v s ILE 47 CO 0.02 -0.60 -0.08 -0.83 0.24 0.00 0.00 174.94 173.70 3k4v s GLY 48 N -2.59 1.83 0.00 6.27 0.00 -1.26 -0.72 107.32 110.84 3k4v s GLY 48 Ca 0.08 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.90 3k4v s GLY 48 CO 0.00 -1.86 0.00 0.61 0.00 0.00 0.00 173.10 171.85 3k4v n GLY 49 N -0.59 2.30 0.09 0.20 0.00 -0.55 -4.99 105.19 101.66 3k4v n GLY 49 Ca -0.06 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.60 3k4v n GLY 49 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3k4v n ILE 50 N 0.00 0.98 -0.23 -0.61 3.06 -1.26 -2.82 119.36 118.47 3k4v n ILE 50 Ca 0.00 0.32 0.00 0.00 -2.50 0.00 0.00 62.75 60.57 3k4v n ILE 50 Cb 0.00 -1.22 0.00 0.00 0.54 0.00 0.00 39.64 38.96 3k4v n ILE 50 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3k4v n GLY 51 N -0.29 1.55 0.00 4.50 0.00 -1.26 -5.11 105.19 104.59 3k4v n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.38 0.61 3.38 -0.02 0.00 -1.13 -5.10 105.19 102.55 3k4v n GLY 52 Ca 0.00 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.78 2.33 0.11 1.61 0.40 -1.26 -1.48 117.98 118.92 3k4v s PHE 53 Ca 0.00 -0.38 0.07 0.00 -0.60 0.00 0.00 56.93 56.02 3k4v s PHE 53 Cb 0.00 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.18 3k4v s PHE 53 CO 0.00 0.27 -0.17 0.96 0.70 0.00 0.00 175.22 176.97 3k4v s ILE 54 N -0.97 1.53 -0.00 0.64 -4.36 0.10 -4.96 121.20 113.17 3k4v s ILE 54 Ca 0.13 -1.61 -0.18 0.00 -0.26 0.00 0.00 60.65 58.73 3k4v s ILE 54 Cb -0.10 -1.51 -0.06 0.00 1.25 0.00 0.00 42.46 42.04 3k4v s ILE 54 CO 0.05 -0.22 0.52 -0.75 0.24 0.00 0.00 174.94 174.77 3k4v s LYS 55 N -2.22 4.19 0.25 0.37 2.20 -1.26 -1.25 119.74 122.02 3k4v s LYS 55 Ca 0.07 0.60 0.02 0.00 -0.36 0.00 0.00 55.97 56.30 3k4v s LYS 55 Cb -0.08 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 3k4v s LYS 55 CO 0.04 0.49 0.06 0.14 -0.36 0.00 0.00 175.35 175.72 3k4v s VAL 56 N -0.51 0.73 -0.24 4.02 -7.23 0.06 -4.47 120.40 112.76 3k4v s VAL 56 Ca 0.28 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.35 3k4v s VAL 56 Cb -0.18 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 3k4v s VAL 56 CO 0.15 -0.12 0.14 -0.13 -0.31 0.00 0.00 175.10 174.83 3k4v s ARG 57 N -3.97 3.97 -0.30 4.82 0.52 -0.20 -2.15 118.95 121.64 3k4v s ARG 57 Ca 0.34 -0.32 -0.17 0.00 -0.52 0.00 0.00 55.73 55.05 3k4v s ARG 57 Cb 0.07 -3.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 3k4v s ARG 57 CO 0.12 0.01 0.49 -1.14 0.02 0.00 0.00 175.30 174.80 3k4v s GLN 58 N 1.17 3.88 -0.18 3.54 0.74 0.98 -0.35 119.66 129.44 3k4v s GLN 58 Ca 0.06 0.07 -0.04 0.00 0.05 0.00 0.00 55.36 55.51 3k4v s GLN 58 Cb -0.14 -3.72 -0.02 0.00 1.10 0.00 0.00 33.01 30.23 3k4v s GLN 58 CO 0.05 -0.46 -0.03 0.71 -0.55 0.00 0.00 175.29 175.01 3k4v s TYR 59 N 2.30 3.00 0.23 1.67 1.51 -0.17 -1.90 117.35 123.98 3k4v s TYR 59 Ca 0.19 -0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 55.73 3k4v s TYR 59 Cb -0.16 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 3k4v s TYR 59 CO 0.11 -0.22 0.44 -0.51 -1.11 0.00 0.00 175.55 174.26 3k4v s ASP 60 N 0.80 6.40 -1.37 2.29 1.01 -1.26 -1.08 116.67 123.45 3k4v s ASP 60 Ca -0.01 0.48 -0.06 0.00 0.71 0.00 0.00 52.55 53.66 3k4v s ASP 60 Cb -0.14 -2.04 0.03 0.00 1.01 0.00 0.00 42.92 41.77 3k4v s ASP 60 CO 0.02 -0.10 0.97 1.67 0.21 0.00 0.00 175.17 177.94 3k4v n GLN 61 N -0.81 -6.26 -3.43 8.23 7.27 -1.13 -4.90 117.38 116.35 3k4v n GLN 61 Ca -0.04 0.71 -0.37 0.00 0.07 0.00 0.00 57.00 57.37 3k4v n GLN 61 Cb 0.54 -5.59 -0.06 0.00 2.41 0.00 0.00 30.24 27.53 3k4v n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3k4v s ILE 62 N -3.41 5.21 -0.08 1.69 -1.09 0.17 -4.70 121.20 118.98 3k4v s ILE 62 Ca 0.35 0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 59.26 3k4v s ILE 62 Cb -0.17 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 3k4v s ILE 62 CO 0.78 0.39 1.17 -0.63 -1.23 0.00 0.00 174.94 175.42 3k4v s ILE 63 N 0.27 4.37 -0.00 2.92 1.01 -1.26 -1.41 121.20 127.09 3k4v s ILE 63 Ca 0.22 1.68 -0.00 0.00 0.00 0.00 0.00 60.65 62.55 3k4v s ILE 63 Cb -0.15 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.25 3k4v s ILE 63 CO 0.08 -0.02 0.01 -0.51 0.00 0.00 0.00 174.94 174.50 3k4v s ILE 64 N 2.38 -0.01 -0.16 2.92 2.07 -0.07 -4.39 121.20 123.94 3k4v s ILE 64 Ca 0.54 0.04 -0.05 0.00 -1.41 0.00 0.00 60.65 59.76 3k4v s ILE 64 Cb -0.23 -0.02 -0.03 0.00 0.13 0.00 0.00 42.46 42.30 3k4v s ILE 64 CO 0.20 0.01 0.01 -0.70 -1.91 0.00 0.00 174.94 172.55 3k4v s GLU 65 N 0.18 3.73 -0.23 3.50 2.12 -0.25 -0.83 118.70 126.92 3k4v s GLU 65 Ca -0.01 -0.43 0.02 0.00 0.36 0.00 0.00 54.97 54.90 3k4v s GLU 65 Cb -0.02 -3.03 0.05 0.00 0.26 0.00 0.00 34.13 31.40 3k4v s GLU 65 CO -0.00 0.31 -0.09 0.42 -0.54 0.00 0.00 175.26 175.35 3k4v s ILE 66 N 0.21 1.84 -1.53 -3.70 1.01 0.18 -0.85 121.20 118.36 3k4v s ILE 66 Ca 0.01 -1.33 -0.08 0.00 0.00 0.00 0.00 60.65 59.26 3k4v s ILE 66 Cb -0.13 -1.98 0.06 0.00 0.01 0.00 0.00 42.46 40.43 3k4v s ILE 66 CO 0.02 0.02 0.56 0.00 0.00 0.00 0.00 174.94 175.53 3k4v n ALA 67 N 4.57 -1.70 -0.92 9.38 0.00 0.00 -0.32 120.51 131.52 3k4v n ALA 67 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3k4v n ALA 67 Cb 0.44 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.79 0.92 3.77 0.00 0.00 -1.26 -5.00 105.19 101.83 3k4v n GLY 68 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.67 3.37 -0.04 1.61 4.02 0.56 -5.10 115.29 116.05 3k4v s HIS 69 Ca 0.00 0.34 -0.16 0.00 1.02 0.00 0.00 55.06 56.25 3k4v s HIS 69 Cb 0.00 -1.89 -0.05 0.00 -1.02 0.00 0.00 32.58 29.62 3k4v s HIS 69 CO 0.00 0.56 0.44 0.15 1.02 0.00 0.00 174.74 176.91 3k4v s LYS 70 N -0.80 4.12 0.04 1.40 1.02 -1.26 0.50 119.74 124.76 3k4v s LYS 70 Ca 0.13 0.44 -0.01 0.00 0.02 0.00 0.00 55.97 56.55 3k4v s LYS 70 Cb -0.12 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 3k4v s LYS 70 CO 0.03 0.47 -0.03 0.00 -0.92 0.00 0.00 175.35 174.89 3k4v s ALA 71 N -0.38 0.43 -0.15 5.17 0.00 -0.01 -4.71 121.76 122.11 3k4v s ALA 71 Ca 0.25 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 3k4v s ALA 71 Cb -0.16 0.24 0.07 0.00 0.00 0.00 0.00 23.12 23.26 3k4v s ALA 71 CO 0.12 -0.32 0.14 0.42 0.00 0.00 0.00 175.76 176.13 3k4v s ILE 72 N -3.34 -0.20 0.00 0.00 1.01 -1.26 -0.89 121.20 116.53 3k4v s ILE 72 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3k4v s ILE 72 Cb 0.04 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.99 3k4v s ILE 72 CO -0.08 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.33 3k4v n GLY 73 N 5.30 1.59 3.73 6.18 0.00 -0.50 -4.77 105.19 116.71 3k4v n GLY 73 Ca -0.06 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.31 4.87 -0.11 2.61 2.01 -1.26 -0.66 115.64 120.78 3k4v s THR 74 Ca 0.00 1.64 0.02 0.00 0.31 0.00 0.00 61.69 63.66 3k4v s THR 74 Cb 0.00 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.40 3k4v s THR 74 CO 0.00 0.29 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.37 3k4v s VAL 75 N 0.45 1.56 -0.17 3.82 1.01 -0.24 -4.51 120.40 122.33 3k4v s VAL 75 Ca 0.41 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3k4v s VAL 75 Cb -0.20 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3k4v s VAL 75 CO 0.22 0.45 0.34 -0.76 0.00 0.00 0.00 175.10 175.36 3k4v s LEU 76 N 1.01 4.22 -0.20 3.92 1.43 -0.16 -1.00 118.68 127.89 3k4v s LEU 76 Ca -0.06 0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 53.52 3k4v s LEU 76 Cb -0.15 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 3k4v s LEU 76 CO -0.02 0.04 0.01 -0.69 0.23 0.00 0.00 176.35 175.91 3k4v s VAL 77 N 0.74 4.04 -0.02 -1.59 1.01 0.53 -0.82 120.40 124.30 3k4v s VAL 77 Ca 0.18 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 3k4v s VAL 77 Cb -0.14 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.43 3k4v s VAL 77 CO 0.06 0.42 0.33 0.61 0.00 0.00 0.00 175.10 176.52 3k4v n GLY 78 N 4.28 0.37 2.29 4.51 0.00 0.04 -1.03 105.19 115.65 3k4v n GLY 78 Ca -0.17 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.24 2.22 -2.88 1.61 -0.04 -1.26 -3.32 135.00 131.09 3k4v n PRO 79 Ca 0.02 -1.31 -0.38 0.00 -0.04 0.00 0.00 63.50 61.78 3k4v n PRO 79 Cb 0.14 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.28 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 2.15 4.27 0.11 0.52 -1.32 -1.26 -4.95 115.64 115.16 3k4v s THR 80 Ca 0.53 1.78 0.34 0.00 -1.21 0.00 0.00 61.69 63.13 3k4v s THR 80 Cb 0.19 -4.12 0.39 0.00 -1.51 0.00 0.00 72.50 67.45 3k4v s THR 80 CO -0.02 0.37 2.00 -0.65 -2.21 0.00 0.00 174.62 174.11 3k4v h PRO 81 N 3.85 0.00 -3.55 7.08 0.11 -1.99 -3.42 132.00 134.07 3k4v h PRO 81 Ca -0.47 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.42 3k4v h PRO 81 Cb 1.20 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.02 3k4v h PRO 81 CO 0.66 0.00 -0.66 0.08 -0.21 0.00 0.00 178.00 177.88 3k4v s VAL 82 N -3.68 -0.01 0.12 3.15 1.01 -1.26 -5.08 120.40 114.64 3k4v s VAL 82 Ca 0.01 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 3k4v s VAL 82 Cb 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 36.38 36.29 3k4v s VAL 82 CO 0.53 0.02 1.34 0.20 0.00 0.00 0.00 175.10 177.19 3k4v s ASN 83 N 0.28 6.89 -0.03 3.32 0.01 -1.26 -4.84 114.94 119.30 3k4v s ASN 83 Ca -0.02 2.27 0.04 0.00 -0.71 0.00 0.00 52.86 54.45 3k4v s ASN 83 Cb -0.03 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 3k4v s ASN 83 CO -0.01 -0.60 -0.16 0.27 -1.51 0.00 0.00 177.10 175.09 3k4v s ILE 84 N 0.96 1.35 -0.37 0.60 -4.36 0.14 -0.06 121.20 119.46 3k4v s ILE 84 Ca 0.62 -0.69 -0.14 0.00 -0.26 0.00 0.00 60.65 60.18 3k4v s ILE 84 Cb -0.35 -1.15 0.00 0.00 1.25 0.00 0.00 42.46 42.21 3k4v s ILE 84 CO 0.31 0.39 0.29 -0.63 0.24 0.00 0.00 174.94 175.54 3k4v s ILE 85 N -0.07 5.25 0.12 8.37 -1.09 0.80 -1.29 121.20 133.28 3k4v s ILE 85 Ca -0.01 -0.36 0.02 0.00 -2.23 0.00 0.00 60.65 58.07 3k4v s ILE 85 Cb -0.10 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 36.97 3k4v s ILE 85 CO 0.01 -0.16 0.15 0.61 -1.23 0.00 0.00 174.94 174.31 3k4v n GLY 86 N 5.11 2.14 0.23 6.18 0.00 -1.19 -0.97 105.19 116.69 3k4v n GLY 86 Ca -0.11 -2.16 0.06 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.18 1.61 3.08 -0.89 -0.37 114.38 117.63 3k4v h ARG 87 Ca -0.06 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.01 3k4v h ARG 87 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3k4v h ARG 87 CO 0.08 0.20 0.12 -2.95 -1.07 0.00 0.00 179.97 176.36 3k4v h ASN 88 N 0.00 0.16 0.00 7.04 -1.07 -1.79 -1.27 115.58 118.65 3k4v h ASN 88 Ca -0.00 -0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.20 3k4v h ASN 88 Cb 0.39 -0.04 -0.03 0.00 -2.07 0.00 0.00 38.32 36.57 3k4v h ASN 88 CO 0.03 0.11 -2.00 0.18 0.07 0.00 0.00 177.43 175.82 3k4v n LEU 89 N -4.51 0.00 -0.13 6.14 4.77 -0.71 -4.10 117.00 118.46 3k4v n LEU 89 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3k4v n LEU 89 Cb 0.12 0.23 0.29 0.00 -2.33 0.00 0.00 43.42 41.73 3k4v n LEU 89 CO 0.35 0.23 1.17 -0.07 -1.33 0.00 0.00 177.39 177.73 3k4v h LEU 90 N 0.00 0.72 -1.10 2.23 3.38 -0.87 -1.50 115.31 118.17 3k4v h LEU 90 Ca -0.25 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3k4v h LEU 90 Cb 1.49 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 3k4v h LEU 90 CO 0.01 0.56 -0.25 0.71 0.09 0.00 0.00 178.44 179.56 3k4v h THR 91 N 0.83 1.25 -0.32 0.22 1.35 -1.42 -1.34 112.91 113.48 3k4v h THR 91 Ca 0.22 -1.17 -0.06 0.00 -0.55 0.00 0.00 66.41 64.84 3k4v h THR 91 Cb -0.02 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 3k4v h THR 91 CO -0.04 0.36 -0.07 1.56 -0.25 0.00 0.00 175.52 177.08 3k4v h GLN 92 N 0.29 0.53 -0.10 4.72 4.20 -1.44 -2.82 115.11 120.49 3k4v h GLN 92 Ca 0.05 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3k4v h GLN 92 Cb 0.60 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3k4v h GLN 92 CO 0.04 0.61 0.00 0.44 -0.67 0.00 0.00 178.83 179.25 3k4v n ILE 93 N -4.23 0.11 -0.83 2.54 -5.35 -0.92 -4.93 119.36 105.75 3k4v n ILE 93 Ca 0.01 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3k4v n ILE 93 Cb 0.29 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 1.26 0.99 3.77 3.28 0.00 -0.92 -5.04 105.19 108.53 3k4v n GLY 94 Ca 0.17 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 3.42 0.15 4.61 0.00 -0.55 -5.05 121.76 122.33 3k4v s ALA 95 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.36 3k4v s ALA 95 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 3k4v s ALA 95 CO 0.00 0.23 -0.02 0.95 0.00 0.00 0.00 175.76 176.91 3k4v s THR 96 N -0.89 0.70 -0.17 0.00 -4.23 -1.26 -4.70 115.64 105.09 3k4v s THR 96 Ca 0.37 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.81 3k4v s THR 96 Cb -0.23 -1.97 -0.05 0.00 1.34 0.00 0.00 72.50 71.59 3k4v s THR 96 CO 0.26 -0.61 0.18 -0.76 -0.54 0.00 0.00 174.62 173.15 3k4v s LEU 97 N -3.13 4.26 -0.06 4.79 1.43 -1.26 -5.09 118.68 119.62 3k4v s LEU 97 Ca 0.20 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 3k4v s LEU 97 Cb 0.06 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 44.13 3k4v s LEU 97 CO 0.01 0.21 -0.09 0.20 0.23 0.00 0.00 176.35 176.91 3k4v s ASN 98 N 0.05 1.49 0.00 2.29 0.01 -1.26 -5.29 114.94 112.23 3k4v s ASN 98 Ca 0.12 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 3k4v s ASN 98 Cb -0.12 -0.69 0.00 0.00 0.41 0.00 0.00 41.25 40.85 3k4v s ASN 98 CO 0.01 -0.00 0.00 2.22 -1.51 0.00 0.00 177.10 177.82