#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4u s ARG 2 N 0.00 2.28 0.00 1.47 0.52 -1.26 -4.87 118.95 117.09 3k4u s ARG 2 Ca 0.00 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 3k4u s ARG 2 Cb 0.00 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.29 3k4u s ARG 2 CO 0.00 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.32 3k4u n GLY 3 N 2.39 2.39 3.15 -3.53 0.00 -1.26 -5.03 105.19 103.30 3k4u n GLY 3 Ca -0.16 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 3k4u n GLY 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k4u s GLU 4 N 0.00 0.72 -0.32 1.61 -1.05 -1.26 -3.46 118.70 114.94 3k4u s GLU 4 Ca 0.00 -1.03 -0.09 0.00 -0.15 0.00 0.00 54.97 53.70 3k4u s GLU 4 Cb 0.00 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 3k4u s GLU 4 CO 0.00 -0.19 0.14 -1.17 0.95 0.00 0.00 175.26 174.99 3k4u s LEU 5 N -2.78 4.16 -0.15 1.83 2.96 -0.32 -4.94 118.68 119.44 3k4u s LEU 5 Ca 0.04 -0.71 -0.15 0.00 -0.22 0.00 0.00 54.13 53.09 3k4u s LEU 5 Cb 0.05 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3k4u s LEU 5 CO -0.10 -0.24 0.37 -0.13 -1.32 0.00 0.00 176.35 174.93 3k4u s ARG 6 N 1.55 4.28 -0.10 1.98 0.52 -1.26 -2.52 118.95 123.40 3k4u s ARG 6 Ca 0.03 0.22 0.02 0.00 -0.52 0.00 0.00 55.73 55.48 3k4u s ARG 6 Cb -0.18 -3.44 0.01 0.00 0.52 0.00 0.00 34.95 31.87 3k4u s ARG 6 CO 0.05 0.18 -0.14 0.08 0.02 0.00 0.00 175.30 175.48 3k4u s VAL 7 N 0.62 1.41 -0.13 3.52 1.01 -0.93 -0.50 120.40 125.41 3k4u s VAL 7 Ca 0.20 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3k4u s VAL 7 Cb -0.14 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3k4u s VAL 7 CO 0.06 0.42 0.20 -0.83 0.00 0.00 0.00 175.10 174.96 3k4u s GLY 8 N 0.97 2.19 0.15 4.51 0.00 -0.36 0.32 107.32 115.10 3k4u s GLY 8 Ca -0.07 -0.56 -0.18 0.00 0.00 0.00 0.00 44.72 43.91 3k4u s GLY 8 CO -0.01 -0.07 0.47 0.48 0.00 0.00 0.00 173.10 173.97 3k4u s LEU 9 N -0.52 0.13 -0.27 0.66 0.05 -1.12 -2.75 118.68 114.85 3k4u s LEU 9 Ca 0.15 -0.32 0.00 0.00 0.05 0.00 0.00 54.13 54.01 3k4u s LEU 9 Cb -0.13 2.07 0.05 0.00 -2.05 0.00 0.00 46.19 46.13 3k4u s LEU 9 CO 0.04 -0.94 -0.06 -0.70 -0.55 0.00 0.00 176.35 174.14 3k4u s GLU 10 N -3.82 2.49 0.58 1.48 2.12 -1.24 -0.68 118.70 119.63 3k4u s GLU 10 Ca 0.05 -1.21 -0.19 0.00 0.36 0.00 0.00 54.97 53.98 3k4u s GLU 10 Cb 0.00 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 3k4u s GLU 10 CO -0.09 -0.53 1.23 -1.25 -0.54 0.00 0.00 175.26 174.07 3k4u s PRO 11 N 1.22 3.02 0.00 4.30 0.04 -1.26 -4.36 135.00 137.96 3k4u s PRO 11 Ca -0.05 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3k4u s PRO 11 Cb -0.19 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3k4u s PRO 11 CO -0.04 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.23 3k4u n GLY 12 N 0.55 1.25 3.36 0.56 0.00 -0.37 -4.99 105.19 105.56 3k4u n GLY 12 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 3k4u n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k4u s TYR 13 N -0.09 4.07 0.31 1.61 6.04 -0.66 -4.83 117.35 123.80 3k4u s TYR 13 Ca 0.00 -2.50 -0.29 0.00 0.04 0.00 0.00 57.07 54.32 3k4u s TYR 13 Cb 0.00 -3.94 -0.13 0.00 -1.04 0.00 0.00 41.96 36.86 3k4u s TYR 13 CO 0.00 -1.05 1.27 1.28 -1.54 0.00 0.00 175.55 175.51 3k4u n LEU 14 N 3.44 3.13 -0.80 6.97 4.32 -1.26 -0.06 117.00 132.74 3k4u n LEU 14 Ca 0.25 1.19 0.10 0.00 -0.02 0.00 0.00 56.01 57.53 3k4u n LEU 14 Cb 0.41 -1.44 0.28 0.00 -1.62 0.00 0.00 43.42 41.05 3k4u n LEU 14 CO 0.49 -0.64 0.72 -0.81 -1.22 0.00 0.00 177.39 175.93 3k4u n PRO 15 N 0.97 2.04 0.31 3.23 -0.04 -1.26 -3.73 135.00 136.51 3k4u n PRO 15 Ca 0.07 -1.58 -0.15 0.00 -0.04 0.00 0.00 63.50 61.80 3k4u n PRO 15 Cb 0.34 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 3k4u n PRO 15 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3k4u h PHE 16 N 2.93 -0.73 -3.55 0.54 0.04 -0.82 0.54 116.94 115.89 3k4u h PHE 16 Ca 0.00 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.64 3k4u h PHE 16 Cb 0.65 0.24 -0.17 0.00 2.20 0.00 0.00 35.95 38.87 3k4u h PHE 16 CO 0.21 -0.40 -0.39 -1.21 -0.60 0.00 0.00 178.31 175.92 3k4u s GLU 17 N -5.07 0.69 -0.07 1.51 8.01 -0.31 -1.01 118.70 122.44 3k4u s GLU 17 Ca -0.15 -0.62 0.03 0.00 0.01 0.00 0.00 54.97 54.24 3k4u s GLU 17 Cb 0.02 0.29 -0.02 0.00 -4.31 0.00 0.00 34.13 30.10 3k4u s GLU 17 CO 0.52 -0.20 -0.14 -1.59 0.01 0.00 0.00 175.26 173.86 3k4u s LYS 19 N -2.51 2.75 1.11 1.61 -2.85 -1.26 -1.24 119.74 117.35 3k4u s LYS 19 Ca -0.05 -0.70 -0.18 0.00 -1.00 0.00 0.00 55.97 54.03 3k4u s LYS 19 Cb -0.01 -2.44 0.25 0.00 -2.06 0.00 0.00 37.83 33.57 3k4u s LYS 19 CO -0.04 0.50 1.19 0.16 0.10 0.00 0.00 175.35 177.27 3k4u s ASP 20 N -0.41 1.73 0.31 0.03 1.47 0.56 -4.90 116.67 115.46 3k4u s ASP 20 Ca 0.05 0.49 -0.01 0.00 1.18 0.00 0.00 52.55 54.26 3k4u s ASP 20 Cb -0.12 -0.65 0.50 0.00 -0.34 0.00 0.00 42.92 42.30 3k4u s ASP 20 CO 0.02 -3.61 1.97 0.07 0.68 0.00 0.00 175.17 174.30 3k4u h LYS 21 N -2.23 1.02 0.00 2.11 2.10 -1.91 -2.58 116.57 115.07 3k4u h LYS 21 Ca -0.45 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.12 3k4u h LYS 21 Cb 1.27 -0.23 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 3k4u h LYS 21 CO 0.35 0.67 -0.10 -0.22 -2.00 0.00 0.00 179.45 178.15 3k4u h LYS 22 N 1.05 0.00 0.00 0.07 3.64 -1.99 -3.46 116.57 115.88 3k4u h LYS 22 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3k4u h LYS 22 Cb -0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3k4u h LYS 22 CO -0.07 0.10 0.00 0.41 -2.27 0.00 0.00 179.45 177.62 3k4u n GLY 23 N -1.14 1.19 3.82 5.01 0.00 -0.97 -5.10 105.19 107.99 3k4u n GLY 23 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3k4u n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k4u s ASN 24 N -1.98 6.94 -0.10 1.61 0.02 -1.26 -4.79 114.94 115.39 3k4u s ASN 24 Ca 0.00 1.67 -0.14 0.00 -1.02 0.00 0.00 52.86 53.37 3k4u s ASN 24 Cb 0.00 -2.53 -0.05 0.00 0.02 0.00 0.00 41.25 38.69 3k4u s ASN 24 CO 0.00 -0.34 0.33 0.54 0.02 0.00 0.00 177.10 177.64 3k4u s VAL 25 N -2.15 5.23 0.28 1.60 0.11 -1.26 -0.32 120.40 123.90 3k4u s VAL 25 Ca 0.61 0.63 -0.08 0.00 -2.93 0.00 0.00 61.98 60.22 3k4u s VAL 25 Cb -0.09 -3.64 -0.00 0.00 -1.53 0.00 0.00 36.38 31.11 3k4u s VAL 25 CO 0.14 0.48 0.46 0.27 -3.33 0.00 0.00 175.10 173.11 3k4u s ILE 26 N -0.24 0.00 -1.04 7.04 -4.36 -1.26 -4.97 121.20 116.37 3k4u s ILE 26 Ca 0.20 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 59.07 3k4u s ILE 26 Cb -0.14 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.14 3k4u s ILE 26 CO 0.08 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.87 3k4u n GLY 27 N -0.44 0.78 0.43 6.27 0.00 -1.26 -4.14 105.19 106.83 3k4u n GLY 27 Ca -0.01 -2.25 -0.14 0.00 0.00 0.00 0.00 46.02 43.63 3k4u n GLY 27 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3k4u h PHE 28 N 0.00 -1.46 -0.57 1.61 3.57 0.87 -1.21 116.94 119.75 3k4u h PHE 28 Ca 0.00 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.66 3k4u h PHE 28 Cb 0.00 0.65 -0.08 0.00 2.79 0.00 0.00 35.95 39.31 3k4u h PHE 28 CO 0.00 -0.50 0.13 -0.44 -2.23 0.00 0.00 178.31 175.27 3k4u h ASP 29 N -0.56 0.03 -0.59 0.41 3.45 -1.67 -1.19 116.42 116.30 3k4u h ASP 29 Ca 0.02 0.10 0.11 0.00 0.43 0.00 0.00 57.03 57.70 3k4u h ASP 29 Cb 0.63 0.13 -0.12 0.00 -0.56 0.00 0.00 39.33 39.42 3k4u h ASP 29 CO -0.38 0.03 -0.26 0.58 -1.57 0.00 0.00 179.24 177.64 3k4u h VAL 30 N 0.27 0.25 -0.73 -1.35 2.07 -1.38 0.46 116.25 115.84 3k4u h VAL 30 Ca 0.30 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.76 3k4u h VAL 30 Cb 0.42 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3k4u h VAL 30 CO -0.37 0.00 0.23 0.44 0.02 0.00 0.00 177.57 177.89 3k4u h ASP 31 N -0.11 1.04 -0.11 0.57 5.19 -0.66 0.13 116.42 122.48 3k4u h ASP 31 Ca 0.26 -0.19 0.03 0.00 -0.62 0.00 0.00 57.03 56.52 3k4u h ASP 31 Cb 0.52 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 39.72 3k4u h ASP 31 CO -0.66 0.96 -0.10 -0.07 -3.12 0.00 0.00 179.24 176.25 3k4u h LEU 32 N 1.07 -0.32 -0.74 1.55 4.07 -0.69 -0.23 115.31 120.03 3k4u h LEU 32 Ca 0.24 0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.28 3k4u h LEU 32 Cb 0.29 0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.15 3k4u h LEU 32 CO -0.01 -0.14 0.48 0.00 -1.08 0.00 0.00 178.44 177.69 3k4u h ALA 33 N 0.95 0.94 -0.36 1.53 0.00 0.44 -2.38 119.26 120.39 3k4u h ALA 33 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k4u h ALA 33 Cb 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3k4u h ALA 33 CO -0.18 0.32 0.23 -0.09 0.00 0.00 0.00 179.25 179.52 3k4u h ARG 34 N 0.96 0.47 -0.50 0.00 2.43 -0.61 0.02 114.38 117.15 3k4u h ARG 34 Ca 0.28 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3k4u h ARG 34 Cb -0.07 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3k4u h ARG 34 CO -0.08 0.32 0.00 0.39 -1.51 0.00 0.00 179.97 179.10 3k4u n GLU 35 N -4.83 0.10 0.00 0.20 -0.58 -0.11 -2.01 120.64 113.41 3k4u n GLU 35 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3k4u n GLU 35 Cb 0.03 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 3k4u n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k4u n ALA 37 N 0.56 0.00 0.16 0.62 0.00 -0.01 -1.96 120.51 119.89 3k4u n ALA 37 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3k4u n ALA 37 Cb 0.03 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.86 3k4u n ALA 37 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3k4u h LYS 38 N 0.00 0.09 -1.63 0.00 3.64 -1.58 -1.13 116.57 115.96 3k4u h LYS 38 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3k4u h LYS 38 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3k4u h LYS 38 CO 0.00 0.36 0.00 0.00 -2.27 0.00 0.00 179.45 177.54 3k4u n ALA 39 N -2.48 2.90 -2.84 5.00 0.00 -0.83 -4.55 120.51 117.71 3k4u n ALA 39 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 3k4u n ALA 39 Cb 0.35 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.72 3k4u n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4u n GLY 41 N 1.14 0.82 3.49 0.00 0.00 -0.97 -5.24 105.19 104.43 3k4u n GLY 41 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 3k4u n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k4u s VAL 42 N 0.11 0.02 0.40 1.61 1.01 -0.47 -4.94 120.40 118.14 3k4u s VAL 42 Ca 0.31 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 3k4u s VAL 42 Cb 0.24 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.25 3k4u s VAL 42 CO -0.17 -0.08 0.77 -0.54 0.00 0.00 0.00 175.10 175.08 3k4u s LYS 43 N -3.81 3.78 -0.14 2.72 3.01 -1.22 -4.22 119.74 119.85 3k4u s LYS 43 Ca 0.05 0.47 -0.01 0.00 -1.01 0.00 0.00 55.97 55.46 3k4u s LYS 43 Cb -0.01 -2.39 -0.02 0.00 -1.01 0.00 0.00 37.83 34.40 3k4u s LYS 43 CO -0.08 -0.03 -0.10 -1.17 0.51 0.00 0.00 175.35 174.48 3k4u s LEU 44 N -3.84 2.88 -0.31 3.17 2.96 -1.26 -1.17 118.68 121.10 3k4u s LEU 44 Ca 0.51 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3k4u s LEU 44 Cb -0.10 -1.66 0.10 0.00 0.50 0.00 0.00 46.19 45.02 3k4u s LEU 44 CO 0.31 0.17 0.10 -0.75 -1.32 0.00 0.00 176.35 174.86 3k4u s LYS 45 N 0.35 0.68 0.52 1.98 2.47 -1.05 -4.97 119.74 119.72 3k4u s LYS 45 Ca -0.09 -1.03 -0.20 0.00 -1.56 0.00 0.00 55.97 53.09 3k4u s LYS 45 Cb -0.15 -1.94 -0.07 0.00 -1.46 0.00 0.00 37.83 34.21 3k4u s LYS 45 CO 0.05 -0.99 1.09 -0.51 0.16 0.00 0.00 175.35 175.15 3k4u s LEU 46 N 1.65 3.78 -0.40 5.43 1.43 -1.26 -2.18 118.68 127.13 3k4u s LEU 46 Ca 0.10 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.28 3k4u s LEU 46 Cb -0.17 -4.57 0.13 0.00 0.03 0.00 0.00 46.19 41.61 3k4u s LEU 46 CO -0.26 -1.04 0.21 -0.69 0.23 0.00 0.00 176.35 174.79 3k4u s VAL 47 N -1.87 1.09 0.35 -1.59 1.01 0.15 -4.85 120.40 114.69 3k4u s VAL 47 Ca 0.70 -2.19 -0.27 0.00 0.00 0.00 0.00 61.98 60.22 3k4u s VAL 47 Cb -0.21 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 3k4u s VAL 47 CO 0.24 -0.87 1.19 -2.84 0.00 0.00 0.00 175.10 172.82 3k4u s PRO 48 N 0.72 4.31 -0.08 2.72 0.02 -1.26 -2.81 135.00 138.60 3k4u s PRO 48 Ca 0.16 1.93 -0.19 0.00 0.02 0.00 0.00 61.00 62.93 3k4u s PRO 48 Cb -0.23 -2.93 0.04 0.00 0.02 0.00 0.00 34.50 31.40 3k4u s PRO 48 CO -0.04 -0.13 0.45 0.99 -0.33 0.00 0.00 177.00 177.94 3k4u s THR 49 N -1.27 0.02 0.63 0.99 2.01 0.14 -4.89 115.64 113.27 3k4u s THR 49 Ca 0.51 -0.19 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 3k4u s THR 49 Cb -0.33 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 3k4u s THR 49 CO 0.43 -0.11 1.18 -0.55 -0.69 0.00 0.00 174.62 174.88 3k4u s SER 50 N -0.68 5.03 0.13 3.53 0.15 -1.26 -3.69 113.70 116.91 3k4u s SER 50 Ca -0.08 2.28 -0.28 0.00 0.70 0.00 0.00 55.95 58.57 3k4u s SER 50 Cb -0.03 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 3k4u s SER 50 CO 0.04 -1.70 1.60 -0.25 1.20 0.00 0.00 173.24 174.13 3k4u h TRP 51 N 0.51 -1.02 -0.10 3.44 2.91 -1.95 -0.96 115.95 118.78 3k4u h TRP 51 Ca -0.49 0.04 0.03 0.00 1.13 0.00 0.00 58.89 59.59 3k4u h TRP 51 Cb 1.28 0.46 -0.00 0.00 -0.51 0.00 0.00 29.16 30.39 3k4u h TRP 51 CO 0.49 -0.45 0.20 0.38 -1.03 0.00 0.00 178.44 178.03 3k4u h ASP 52 N -0.49 0.00 -0.41 2.65 -0.00 -1.92 -0.10 116.42 116.15 3k4u h ASP 52 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.10 3k4u h ASP 52 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.93 3k4u h ASP 52 CO -0.32 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.53 3k4u n GLY 53 N -1.28 1.15 0.08 7.15 0.00 -0.37 -4.50 105.19 107.42 3k4u n GLY 53 Ca -0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 3k4u n GLY 53 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k4u h LEU 54 N 2.43 0.00 -0.03 0.99 3.38 -0.97 -2.77 115.31 118.34 3k4u h LEU 54 Ca 0.00 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3k4u h LEU 54 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3k4u h LEU 54 CO 0.04 0.98 -0.03 0.40 0.09 0.00 0.00 178.44 179.92 3k4u h ILE 55 N -1.00 0.92 0.00 1.22 2.04 -1.79 -1.10 117.51 117.80 3k4u h ILE 55 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3k4u h ILE 55 Cb 0.74 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3k4u h ILE 55 CO -0.07 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.63 3k4u h PRO 56 N -0.03 0.00 -0.04 2.37 0.13 -1.79 0.31 132.00 132.94 3k4u h PRO 56 Ca 0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.12 3k4u h PRO 56 Cb 0.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.20 3k4u h PRO 56 CO -0.05 0.00 -0.09 0.78 -0.23 0.00 0.00 178.00 178.40 3k4u h GLY 57 N 1.86 0.15 0.90 1.56 0.00 -1.16 -1.60 103.07 104.79 3k4u h GLY 57 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3k4u h GLY 57 CO 0.00 0.17 -0.42 -2.00 0.00 0.00 0.00 176.54 174.28 3k4u h LEU 58 N -0.39 -1.04 -1.91 3.11 5.85 -0.03 0.12 115.31 121.03 3k4u h LEU 58 Ca 0.00 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.84 3k4u h LEU 58 Cb 0.68 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3k4u h LEU 58 CO 0.02 -0.68 0.22 0.58 -0.34 0.00 0.00 178.44 178.24 3k4u h VAL 59 N -1.10 0.90 0.00 1.05 2.07 -0.55 0.41 116.25 119.03 3k4u h VAL 59 Ca -0.10 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3k4u h VAL 59 Cb 0.87 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3k4u h VAL 59 CO 0.13 0.02 0.00 0.41 0.02 0.00 0.00 177.57 178.15 3k4u n THR 60 N -4.47 0.01 -2.44 2.57 -1.04 -0.60 -4.91 114.28 103.40 3k4u n THR 60 Ca 0.04 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.90 3k4u n THR 60 Cb 0.31 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 3k4u n THR 60 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3k4u n GLU 61 N -1.06 -1.90 0.15 -2.82 1.02 0.13 -4.94 120.64 111.23 3k4u n GLU 61 Ca 0.21 0.73 0.13 0.00 -0.02 0.00 0.00 57.16 58.21 3k4u n GLU 61 Cb 0.13 -5.09 0.37 0.00 -0.02 0.00 0.00 31.44 26.84 3k4u n GLU 61 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3k4u h LYS 62 N -0.29 0.00 -2.39 3.49 1.57 -0.95 -3.47 116.57 114.53 3k4u h LYS 62 Ca -0.37 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.54 3k4u h LYS 62 Cb 1.27 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.47 3k4u h LYS 62 CO 0.43 0.00 0.46 -0.59 -0.57 0.00 0.00 179.45 179.18 3k4u s PHE 63 N -3.19 -0.24 -0.12 -1.35 -0.12 -1.26 -4.94 117.98 106.77 3k4u s PHE 63 Ca 0.08 -0.01 0.17 0.00 -0.05 0.00 0.00 56.93 57.12 3k4u s PHE 63 Cb 0.10 0.60 -0.16 0.00 -0.63 0.00 0.00 43.02 42.93 3k4u s PHE 63 CO 0.59 -0.74 0.74 -0.25 -0.05 0.00 0.00 175.22 175.50 3k4u n ASP 64 N -0.38 0.76 -3.79 1.98 8.00 0.35 -4.59 116.55 118.89 3k4u n ASP 64 Ca -0.08 0.34 -0.13 0.00 0.71 0.00 0.00 54.79 55.64 3k4u n ASP 64 Cb 0.61 0.27 -0.09 0.00 -0.02 0.00 0.00 41.12 41.90 3k4u n ASP 64 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3k4u s ILE 65 N -2.89 0.06 -0.14 0.53 2.07 -1.08 -4.48 121.20 115.26 3k4u s ILE 65 Ca -0.04 -0.48 -0.09 0.00 -1.41 0.00 0.00 60.65 58.63 3k4u s ILE 65 Cb 0.09 -0.55 -0.05 0.00 0.13 0.00 0.00 42.46 42.08 3k4u s ILE 65 CO 0.82 -0.26 0.17 -0.63 -1.91 0.00 0.00 174.94 173.13 3k4u s ILE 66 N -1.19 5.42 -0.47 2.00 1.01 -0.29 -1.23 121.20 126.45 3k4u s ILE 66 Ca -0.12 0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.86 3k4u s ILE 66 Cb -0.05 -3.47 0.19 0.00 0.01 0.00 0.00 42.46 39.14 3k4u s ILE 66 CO 0.03 0.53 0.43 -0.38 0.00 0.00 0.00 174.94 175.56 3k4u n ILE 67 N 2.64 -0.40 -1.41 2.92 5.41 -1.11 -3.11 119.36 124.29 3k4u n ILE 67 Ca -0.17 -3.90 0.07 0.00 1.00 0.00 0.00 62.75 59.75 3k4u n ILE 67 Cb 0.53 -1.83 0.16 0.00 -0.71 0.00 0.00 39.64 37.79 3k4u n ILE 67 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3k4u n SER 68 N 2.27 1.89 -2.49 4.38 7.64 -1.26 -4.68 113.62 121.37 3k4u n SER 68 Ca 0.26 -3.33 -0.04 0.00 1.01 0.00 0.00 58.87 56.78 3k4u n SER 68 Cb 0.46 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 3k4u n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4u n GLY 69 N -1.13 -5.38 3.07 0.23 0.00 -1.26 -4.91 105.19 95.81 3k4u n GLY 69 Ca 0.16 1.35 -0.12 0.00 0.00 0.00 0.00 46.02 47.40 3k4u n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4u s THR 71 N -0.62 -0.03 -0.88 2.61 2.01 -1.26 -4.91 115.64 112.55 3k4u s THR 71 Ca -0.22 0.11 -0.25 0.00 0.31 0.00 0.00 61.69 61.65 3k4u s THR 71 Cb 0.01 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 72.17 3k4u s THR 71 CO 0.58 0.04 1.64 -0.63 -0.69 0.00 0.00 174.62 175.56 3k4u s ILE 72 N 0.94 3.66 0.09 1.82 1.01 -0.08 -4.85 121.20 123.80 3k4u s ILE 72 Ca -0.07 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.30 3k4u s ILE 72 Cb -0.08 -4.55 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 3k4u s ILE 72 CO -0.06 -1.48 0.06 -0.94 0.00 0.00 0.00 174.94 172.53 3k4u s SER 73 N 6.17 5.38 0.64 3.58 1.04 -1.26 -4.76 113.70 124.49 3k4u s SER 73 Ca 0.55 -0.07 0.36 0.00 0.48 0.00 0.00 55.95 57.26 3k4u s SER 73 Cb -0.05 -1.40 2.01 0.00 0.10 0.00 0.00 66.02 66.68 3k4u s SER 73 CO 0.01 0.16 2.20 1.56 0.98 0.00 0.00 173.24 178.15 3k4u h GLN 74 N 3.22 0.00 0.02 4.02 7.50 -1.96 -0.56 115.11 127.35 3k4u h GLN 74 Ca -0.47 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 58.68 3k4u h GLN 74 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.70 3k4u h GLN 74 CO 0.64 0.00 -0.01 1.49 -1.50 0.00 0.00 178.83 179.45 3k4u h GLU 75 N 0.00 -0.02 -0.81 1.46 4.81 -1.98 -3.23 114.58 114.81 3k4u h GLU 75 Ca 0.02 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3k4u h GLU 75 Cb 0.26 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 3k4u h GLU 75 CO -0.00 0.68 0.50 0.00 -0.73 0.00 0.00 179.01 179.46 3k4u h ARG 76 N -0.95 0.91 0.00 1.92 3.08 -1.92 -2.58 114.38 114.84 3k4u h ARG 76 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3k4u h ARG 76 Cb 0.71 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3k4u h ARG 76 CO 0.00 0.60 0.00 -1.71 -1.07 0.00 0.00 179.97 177.80 3k4u n ASN 77 N -4.64 0.00 0.12 7.04 4.05 -0.23 0.98 115.26 122.59 3k4u n ASN 77 Ca 0.11 -0.66 -0.00 0.00 0.45 0.00 0.00 54.58 54.47 3k4u n ASN 77 Cb 0.14 -0.04 0.03 0.00 1.23 0.00 0.00 39.78 41.15 3k4u n ASN 77 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3k4u h LEU 78 N 0.00 0.00 0.02 1.20 3.38 -1.47 -3.38 115.31 115.05 3k4u h LEU 78 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3k4u h LEU 78 Cb 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3k4u h LEU 78 CO 0.00 0.66 -2.19 0.54 0.09 0.00 0.00 178.44 177.54 3k4u n ARG 79 N -3.35 0.68 -4.30 1.13 1.74 0.28 -5.01 116.66 107.82 3k4u n ARG 79 Ca 0.01 0.14 -0.19 0.00 -0.77 0.00 0.00 57.85 57.04 3k4u n ARG 79 Cb 0.76 -1.61 -0.09 0.00 -1.02 0.00 0.00 32.46 30.50 3k4u n ARG 79 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3k4u s VAL 80 N -2.53 0.12 0.16 1.55 -7.23 -0.70 -4.59 120.40 107.17 3k4u s VAL 80 Ca -0.16 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.08 3k4u s VAL 80 Cb 0.07 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 3k4u s VAL 80 CO 0.77 0.00 0.02 0.20 -0.31 0.00 0.00 175.10 175.78 3k4u s ASN 81 N -3.36 4.89 0.01 4.85 0.01 -0.47 -4.36 114.94 116.52 3k4u s ASN 81 Ca 0.38 -0.34 0.08 0.00 -0.71 0.00 0.00 52.86 52.27 3k4u s ASN 81 Cb 0.04 -1.09 -0.02 0.00 0.41 0.00 0.00 41.25 40.59 3k4u s ASN 81 CO 0.22 0.10 -0.23 -0.36 -1.51 0.00 0.00 177.10 175.31 3k4u s PHE 82 N -1.68 2.07 1.02 2.20 0.08 -1.26 -1.41 117.98 119.00 3k4u s PHE 82 Ca 0.28 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.82 3k4u s PHE 82 Cb -0.10 -1.30 0.20 0.00 -0.57 0.00 0.00 43.02 41.26 3k4u s PHE 82 CO 0.19 0.02 1.08 0.08 -0.10 0.00 0.00 175.22 176.49 3k4u s VAL 83 N -0.65 2.24 0.74 -0.44 1.01 0.21 -4.99 120.40 118.52 3k4u s VAL 83 Ca 0.09 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 3k4u s VAL 83 Cb -0.09 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.99 3k4u s VAL 83 CO 0.00 -0.10 1.05 -0.62 0.00 0.00 0.00 175.10 175.43 3k4u n GLU 84 N -4.38 0.47 -1.85 2.72 -0.58 -1.26 -4.54 120.64 111.22 3k4u n GLU 84 Ca 0.06 0.22 -0.42 0.00 -0.42 0.00 0.00 57.16 56.60 3k4u n GLU 84 Cb 0.55 -2.30 -0.03 0.00 -0.57 0.00 0.00 31.44 29.09 3k4u n GLU 84 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3k4u s PRO 85 N -3.54 4.18 0.00 3.49 0.02 -1.26 -4.59 135.00 133.29 3k4u s PRO 85 Ca 0.74 2.45 0.27 0.00 0.02 0.00 0.00 61.00 64.47 3k4u s PRO 85 Cb -0.33 -3.34 0.78 0.00 0.02 0.00 0.00 34.50 31.63 3k4u s PRO 85 CO 0.50 -0.72 1.59 2.48 -0.33 0.00 0.00 177.00 180.52 3k4u n TYR 86 N 4.74 0.00 -3.62 6.54 0.18 -0.56 -4.94 117.16 119.51 3k4u n TYR 86 Ca 0.16 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.88 3k4u n TYR 86 Cb 0.38 -0.15 -0.05 0.00 -0.38 0.00 0.00 39.34 39.14 3k4u n TYR 86 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 3k4u s ILE 87 N -2.58 0.00 -0.05 -3.48 2.07 -1.24 -5.04 121.20 110.88 3k4u s ILE 87 Ca 0.23 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.52 3k4u s ILE 87 Cb 0.19 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.76 3k4u s ILE 87 CO 0.54 0.00 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.69 3k4u s VAL 88 N -0.82 2.66 0.27 4.00 1.01 -1.26 -0.63 120.40 125.63 3k4u s VAL 88 Ca 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3k4u s VAL 88 Cb -0.02 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3k4u s VAL 88 CO -0.05 0.58 0.30 -0.69 0.00 0.00 0.00 175.10 175.23 3k4u s VAL 89 N -0.52 0.00 -0.15 2.92 1.01 -0.33 -4.99 120.40 118.34 3k4u s VAL 89 Ca 0.07 -1.82 -0.30 0.00 0.00 0.00 0.00 61.98 59.93 3k4u s VAL 89 Cb -0.11 -2.48 0.13 0.00 0.00 0.00 0.00 36.38 33.92 3k4u s VAL 89 CO 0.01 0.00 1.05 -0.83 0.00 0.00 0.00 175.10 175.33 3k4u s GLY 90 N -3.20 -0.26 0.23 4.51 0.00 -1.26 -0.24 107.32 107.09 3k4u s GLY 90 Ca 0.35 1.92 -0.30 0.00 0.00 0.00 0.00 44.72 46.70 3k4u s GLY 90 CO 0.17 0.88 1.15 1.62 0.00 0.00 0.00 173.10 176.91 3k4u s GLN 91 N -1.55 4.56 0.10 2.90 2.00 -1.26 -1.39 119.66 125.01 3k4u s GLN 91 Ca 0.02 1.84 0.02 0.00 -2.00 0.00 0.00 55.36 55.23 3k4u s GLN 91 Cb -0.01 -3.22 -0.01 0.00 0.80 0.00 0.00 33.01 30.58 3k4u s GLN 91 CO -0.02 0.05 0.10 -1.13 -0.50 0.00 0.00 175.29 173.79 3k4u n SER 92 N 1.91 -0.26 -4.23 6.67 3.41 -0.21 -0.78 113.62 120.12 3k4u n SER 92 Ca 0.02 -1.63 -0.15 0.00 -0.26 0.00 0.00 58.87 56.85 3k4u n SER 92 Cb 0.45 0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 64.86 3k4u n SER 92 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3k4u s LEU 93 N 0.00 2.47 -0.11 1.04 1.43 -0.84 -2.30 118.68 120.37 3k4u s LEU 93 Ca 0.11 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.31 3k4u s LEU 93 Cb 0.00 -0.37 -0.01 0.00 0.03 0.00 0.00 46.19 45.85 3k4u s LEU 93 CO 0.08 -0.28 -0.19 -0.76 0.23 0.00 0.00 176.35 175.43 3k4u s LEU 94 N -2.84 2.41 0.12 1.79 1.43 -0.03 -2.36 118.68 119.21 3k4u s LEU 94 Ca 0.12 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.88 3k4u s LEU 94 Cb -0.00 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3k4u s LEU 94 CO 0.01 0.18 -0.19 0.68 0.23 0.00 0.00 176.35 177.26 3k4u s VAL 95 N 0.25 2.77 0.82 -1.59 -7.23 0.11 -1.29 120.40 114.23 3k4u s VAL 95 Ca -0.13 -1.56 -0.13 0.00 -1.81 0.00 0.00 61.98 58.36 3k4u s VAL 95 Cb -0.16 -2.27 0.09 0.00 0.56 0.00 0.00 36.38 34.60 3k4u s VAL 95 CO 0.07 0.08 1.19 -0.75 -0.31 0.00 0.00 175.10 175.38 3k4u s LYS 96 N -2.18 1.61 0.50 4.82 2.36 -1.13 0.15 119.74 125.88 3k4u s LYS 96 Ca 0.18 1.69 -0.21 0.00 -2.55 0.00 0.00 55.97 55.08 3k4u s LYS 96 Cb -0.10 -1.78 -0.09 0.00 -1.05 0.00 0.00 37.83 34.81 3k4u s LYS 96 CO 0.10 -2.22 0.85 1.63 1.55 0.00 0.00 175.35 177.25 3k4u n LYS 97 N -3.41 0.97 0.00 4.03 5.02 -1.20 -2.52 118.16 121.05 3k4u n LYS 97 Ca 0.13 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 3k4u n LYS 97 Cb 0.51 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3k4u n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4u n GLY 98 N 1.40 2.94 0.19 0.72 0.00 -1.26 -4.82 105.19 104.36 3k4u n GLY 98 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 3k4u n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k4u h LEU 99 N 0.00 0.77 -1.23 0.99 7.12 -1.86 -3.25 115.31 117.86 3k4u h LEU 99 Ca 0.00 -0.69 0.00 0.00 0.13 0.00 0.00 57.88 57.32 3k4u h LEU 99 Cb 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 39.90 3k4u h LEU 99 CO 0.00 1.35 0.11 -1.84 -0.13 0.00 0.00 178.44 177.93 3k4u n GLU 100 N -4.05 0.12 -2.78 1.25 0.00 -1.26 -4.71 120.64 109.22 3k4u n GLU 100 Ca -0.09 0.61 -0.41 0.00 0.00 0.00 0.00 57.16 57.27 3k4u n GLU 100 Cb 0.73 -2.01 -0.05 0.00 0.00 0.00 0.00 31.44 30.11 3k4u n GLU 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 3k4u s LYS 101 N -3.47 4.69 0.00 3.44 2.20 -1.23 -3.70 119.74 121.68 3k4u s LYS 101 Ca -0.02 1.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 3k4u s LYS 101 Cb 0.05 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 3k4u s LYS 101 CO 0.17 0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.85 3k4u n GLY 102 N 2.14 2.97 3.77 5.54 0.00 -1.26 -5.02 105.19 113.33 3k4u n GLY 102 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3k4u n GLY 102 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k4u s VAL 103 N -1.31 2.72 -0.02 1.61 -7.23 -1.24 -4.93 120.40 110.00 3k4u s VAL 103 Ca 0.00 0.71 0.04 0.00 -1.81 0.00 0.00 61.98 60.92 3k4u s VAL 103 Cb 0.00 -3.44 -0.06 0.00 0.56 0.00 0.00 36.38 33.44 3k4u s VAL 103 CO 0.00 0.16 0.09 2.29 -0.31 0.00 0.00 175.10 177.32 3k4u n LYS 104 N 0.66 0.70 -3.83 4.82 0.00 -1.26 -5.09 118.16 114.15 3k4u n LYS 104 Ca 0.01 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.31 58.25 3k4u n LYS 104 Cb 0.42 -1.04 0.01 0.00 -0.00 0.00 0.00 35.03 34.42 3k4u n LYS 104 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3k4u s SER 105 N -2.31 -0.05 0.50 -5.58 0.15 -1.26 -5.03 113.70 100.11 3k4u s SER 105 Ca -0.01 -0.68 0.28 0.00 0.70 0.00 0.00 55.95 56.24 3k4u s SER 105 Cb 0.02 0.56 1.23 0.00 -1.71 0.00 0.00 66.02 66.13 3k4u s SER 105 CO 0.15 -1.09 1.95 0.10 1.20 0.00 0.00 173.24 175.56 3k4u h TYR 106 N 2.00 0.00 -0.40 3.44 -0.00 -1.98 -3.24 116.97 116.79 3k4u h TYR 106 Ca -0.27 0.00 -0.08 0.00 -0.00 0.00 0.00 58.73 58.38 3k4u h TYR 106 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.94 3k4u h TYR 106 CO 1.07 0.14 -0.08 0.87 -0.00 0.00 0.00 178.16 180.15 3k4u h LYS 107 N 0.00 0.69 -0.44 0.10 1.79 -1.96 -2.09 116.57 114.66 3k4u h LYS 107 Ca -0.00 -0.21 -0.04 0.00 -2.18 0.00 0.00 60.65 58.22 3k4u h LYS 107 Cb 0.55 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 3k4u h LYS 107 CO 0.02 0.76 0.12 -0.44 -1.08 0.00 0.00 179.45 178.83 3k4u h ASP 108 N 0.63 0.60 1.44 0.86 3.45 -1.98 -2.96 116.42 118.46 3k4u h ASP 108 Ca 0.12 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3k4u h ASP 108 Cb 0.52 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 3k4u h ASP 108 CO 0.03 0.59 -0.33 -0.07 -1.57 0.00 0.00 179.24 177.89 3k4u h LEU 109 N 0.64 0.00 -7.76 1.55 4.07 -1.55 -3.42 115.31 108.84 3k4u h LEU 109 Ca 0.15 -0.04 -0.49 0.00 0.08 0.00 0.00 57.88 57.57 3k4u h LEU 109 Cb 0.22 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.92 3k4u h LEU 109 CO -0.01 0.02 1.65 -0.67 -1.08 0.00 0.00 178.44 178.35 3k4u n ASP 110 N -2.61 3.74 -4.26 -0.43 2.03 -1.02 -4.88 116.55 109.12 3k4u n ASP 110 Ca 0.03 -2.78 -0.21 0.00 0.52 0.00 0.00 54.79 52.35 3k4u n ASP 110 Cb 0.49 -1.70 -0.12 0.00 -0.72 0.00 0.00 41.12 39.07 3k4u n ASP 110 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3k4u s LYS 111 N 5.44 1.05 0.25 -0.67 3.01 -1.26 -4.53 119.74 123.03 3k4u s LYS 111 Ca 0.62 -1.15 0.02 0.00 -1.01 0.00 0.00 55.97 54.44 3k4u s LYS 111 Cb 0.03 -1.17 0.32 0.00 -1.01 0.00 0.00 37.83 35.99 3k4u s LYS 111 CO 0.11 0.26 1.64 -1.35 0.51 0.00 0.00 175.35 176.52 3k4u h PRO 112 N 3.94 0.42 0.00 -1.68 0.11 -1.88 -3.05 132.00 129.86 3k4u h PRO 112 Ca -0.43 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.47 3k4u h PRO 112 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3k4u h PRO 112 CO 0.43 0.76 0.00 0.39 -0.21 0.00 0.00 178.00 179.37 3k4u n GLU 113 N -4.03 0.33 -4.47 1.05 4.71 -1.26 -4.41 120.64 112.56 3k4u n GLU 113 Ca -0.02 0.09 -0.31 0.00 -0.01 0.00 0.00 57.16 56.91 3k4u n GLU 113 Cb 0.50 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 29.32 3k4u n GLU 113 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3k4u s LEU 114 N -2.40 3.00 -0.19 -4.62 1.02 -1.15 -5.06 118.68 109.28 3k4u s LEU 114 Ca 0.19 -0.26 -0.04 0.00 0.02 0.00 0.00 54.13 54.04 3k4u s LEU 114 Cb 0.11 -1.75 -0.02 0.00 0.02 0.00 0.00 46.19 44.55 3k4u s LEU 114 CO 0.24 0.26 -0.02 -0.89 0.02 0.00 0.00 176.35 175.96 3k4u s THR 115 N -1.02 3.80 -0.13 5.49 2.01 -1.26 -1.91 115.64 122.62 3k4u s THR 115 Ca 0.17 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 3k4u s THR 115 Cb -0.11 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 3k4u s THR 115 CO 0.08 0.44 0.02 -0.22 -0.69 0.00 0.00 174.62 174.25 3k4u s LEU 116 N 0.92 3.61 0.14 4.42 2.96 0.64 -1.78 118.68 129.59 3k4u s LEU 116 Ca 0.00 0.07 0.10 0.00 -0.22 0.00 0.00 54.13 54.09 3k4u s LEU 116 Cb -0.14 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3k4u s LEU 116 CO 0.01 0.26 -0.25 0.68 -1.32 0.00 0.00 176.35 175.74 3k4u s VAL 117 N -0.19 2.16 0.07 1.68 -7.23 -1.26 0.26 120.40 115.89 3k4u s VAL 117 Ca 0.06 -1.79 -0.27 0.00 -1.81 0.00 0.00 61.98 58.16 3k4u s VAL 117 Cb -0.12 -1.94 0.09 0.00 0.56 0.00 0.00 36.38 34.96 3k4u s VAL 117 CO 0.02 -0.00 1.06 0.28 -0.31 0.00 0.00 175.10 176.14 3k4u s THR 118 N -1.26 0.00 0.33 5.32 -1.32 -1.15 -2.34 115.64 115.21 3k4u s THR 118 Ca 0.14 -0.44 -0.29 0.00 -1.21 0.00 0.00 61.69 59.89 3k4u s THR 118 Cb -0.09 -1.85 -0.10 0.00 -1.51 0.00 0.00 72.50 68.94 3k4u s THR 118 CO 0.07 0.00 1.37 -0.75 -2.21 0.00 0.00 174.62 173.09 3k4u s LYS 119 N -2.98 4.29 0.44 7.08 2.20 -1.26 -0.87 119.74 128.63 3k4u s LYS 119 Ca 0.12 2.31 -0.25 0.00 -0.36 0.00 0.00 55.97 57.79 3k4u s LYS 119 Cb 0.00 -3.05 -0.08 0.00 -1.51 0.00 0.00 37.83 33.19 3k4u s LYS 119 CO -0.01 -0.30 1.34 0.12 -0.36 0.00 0.00 175.35 176.14 3k4u s PHE 120 N -0.96 2.65 -1.38 4.03 5.36 0.11 -3.86 117.98 123.93 3k4u s PHE 120 Ca 0.51 1.36 -0.02 0.00 -0.96 0.00 0.00 56.93 57.83 3k4u s PHE 120 Cb -0.42 -3.75 0.00 0.00 -0.34 0.00 0.00 43.02 38.52 3k4u s PHE 120 CO 0.54 -2.42 0.29 0.41 -1.46 0.00 0.00 175.22 172.58 3k4u n GLY 121 N 0.63 -0.33 3.53 13.12 0.00 -1.26 -4.96 105.19 115.92 3k4u n GLY 121 Ca 0.05 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 3k4u n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k4u s VAL 122 N -2.98 1.08 0.20 1.61 1.01 -1.25 -4.93 120.40 115.13 3k4u s VAL 122 Ca 0.14 -2.00 -0.15 0.00 0.00 0.00 0.00 61.98 59.98 3k4u s VAL 122 Cb -0.06 -2.59 0.21 0.00 0.00 0.00 0.00 36.38 33.94 3k4u s VAL 122 CO 0.18 0.00 1.63 -1.28 0.00 0.00 0.00 175.10 175.63 3k4u h SER 123 N 1.87 -0.59 -0.66 3.32 0.87 -1.94 -2.09 113.55 114.34 3k4u h SER 123 Ca -0.40 0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.37 3k4u h SER 123 Cb 1.26 0.38 -0.04 0.00 -0.44 0.00 0.00 62.40 63.56 3k4u h SER 123 CO 0.67 -0.20 0.41 0.00 -0.53 0.00 0.00 176.83 177.18 3k4u h ALA 124 N 1.55 0.87 -0.05 6.23 0.00 -1.90 -1.63 119.26 124.33 3k4u h ALA 124 Ca 0.28 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3k4u h ALA 124 Cb 0.44 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3k4u h ALA 124 CO -0.61 0.16 0.08 1.49 0.00 0.00 0.00 179.25 180.37 3k4u h GLU 125 N 0.80 0.00 0.15 0.00 4.81 -1.58 0.21 114.58 118.96 3k4u h GLU 125 Ca 0.27 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.17 3k4u h GLU 125 Cb 0.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 3k4u h GLU 125 CO -0.11 0.00 -1.68 1.88 -0.73 0.00 0.00 179.01 178.37 3k4u h TYR 126 N 0.00 0.56 -0.28 0.92 0.05 -1.22 -2.32 116.97 114.69 3k4u h TYR 126 Ca 0.02 -0.41 -0.18 0.00 0.05 0.00 0.00 58.73 58.21 3k4u h TYR 126 Cb 0.18 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3k4u h TYR 126 CO 0.00 1.54 -0.55 0.00 -1.05 0.00 0.00 178.16 178.10 3k4u h ALA 127 N 0.31 0.44 0.03 3.88 0.00 -1.14 -1.52 119.26 121.26 3k4u h ALA 127 Ca -0.31 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.11 3k4u h ALA 127 Cb 2.06 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.72 3k4u h ALA 127 CO 0.16 0.65 -0.50 0.00 0.00 0.00 0.00 179.25 179.57 3k4u h ALA 128 N 0.67 -0.87 -0.95 0.00 0.00 -1.09 0.70 119.26 117.72 3k4u h ALA 128 Ca 0.01 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.00 3k4u h ALA 128 Cb 1.16 0.87 -0.08 0.00 0.00 0.00 0.00 17.79 19.74 3k4u h ALA 128 CO 0.12 -1.07 0.60 0.87 0.00 0.00 0.00 179.25 179.77 3k4u h LYS 129 N -0.67 0.69 0.04 0.00 1.57 -1.34 -1.43 116.57 115.44 3k4u h LYS 129 Ca 0.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3k4u h LYS 129 Cb 0.72 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3k4u h LYS 129 CO -0.33 0.46 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.90 3k4u h ARG 130 N 0.71 -0.05 -0.34 3.15 2.43 -0.70 -3.39 114.38 116.20 3k4u h ARG 130 Ca 0.50 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.54 3k4u h ARG 130 Cb 0.81 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3k4u h ARG 130 CO -0.26 0.62 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.46 3k4u h LEU 131 N -0.86 0.84 -8.25 3.80 4.07 0.47 -3.43 115.31 111.95 3k4u h LEU 131 Ca -0.01 -0.45 -0.74 0.00 0.08 0.00 0.00 57.88 56.76 3k4u h LEU 131 Cb 0.69 -0.23 -0.24 0.00 1.08 0.00 0.00 40.66 41.96 3k4u h LEU 131 CO 0.01 1.12 -0.35 -0.36 -1.08 0.00 0.00 178.44 177.78 3k4u s PHE 132 N -4.43 3.26 0.13 1.13 0.40 -0.55 -4.94 117.98 112.98 3k4u s PHE 132 Ca -0.12 -1.07 -0.09 0.00 -0.60 0.00 0.00 56.93 55.04 3k4u s PHE 132 Cb 0.10 -3.18 -0.09 0.00 0.51 0.00 0.00 43.02 40.36 3k4u s PHE 132 CO 0.84 -0.82 1.35 0.87 0.70 0.00 0.00 175.22 178.16 3k4u h LYS 133 N 8.70 0.70 -0.01 0.44 6.56 -1.86 -3.39 116.57 127.70 3k4u h LYS 133 Ca -0.27 -0.55 0.00 0.00 -1.06 0.00 0.00 60.65 58.76 3k4u h LYS 133 Cb 1.10 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 3k4u h LYS 133 CO 0.87 1.17 -0.31 0.09 -2.06 0.00 0.00 179.45 179.20 3k4u n ASN 134 N -3.92 1.84 -4.67 0.86 3.02 -1.26 -4.99 115.26 106.14 3k4u n ASN 134 Ca -0.06 -1.42 -0.35 0.00 -0.03 0.00 0.00 54.58 52.72 3k4u n ASN 134 Cb 0.72 0.40 -0.09 0.00 -0.61 0.00 0.00 39.78 40.20 3k4u n ASN 134 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k4u s ALA 135 N -1.96 3.35 0.19 5.41 0.00 -1.25 -3.09 121.76 124.41 3k4u s ALA 135 Ca 0.16 -0.77 -0.32 0.00 0.00 0.00 0.00 51.96 51.03 3k4u s ALA 135 Cb 0.14 -1.66 -0.12 0.00 0.00 0.00 0.00 23.12 21.48 3k4u s ALA 135 CO 0.41 0.44 1.76 1.17 0.00 0.00 0.00 175.76 179.54 3k4u n LYS 136 N 2.66 2.81 -4.35 0.00 4.81 -0.80 -4.76 118.16 118.53 3k4u n LYS 136 Ca -0.18 1.01 -0.34 0.00 -0.87 0.00 0.00 58.31 57.94 3k4u n LYS 136 Cb 0.53 -2.88 -0.15 0.00 0.02 0.00 0.00 35.03 32.56 3k4u n LYS 136 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3k4u s LEU 137 N 1.56 2.57 -0.07 3.14 2.96 -1.25 0.23 118.68 127.81 3k4u s LEU 137 Ca 0.77 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 3k4u s LEU 137 Cb -0.49 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.59 3k4u s LEU 137 CO 0.33 0.06 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.68 3k4u s LYS 138 N 0.98 2.38 0.15 1.98 1.02 0.14 -4.94 119.74 121.45 3k4u s LYS 138 Ca -0.02 -0.73 0.06 0.00 0.02 0.00 0.00 55.97 55.30 3k4u s LYS 138 Cb -0.15 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 3k4u s LYS 138 CO -0.02 0.21 0.06 0.95 -0.92 0.00 0.00 175.35 175.63 3k4u s THR 139 N 0.22 4.14 0.12 2.17 -4.23 -1.26 -2.92 115.64 113.88 3k4u s THR 139 Ca -0.11 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3k4u s THR 139 Cb -0.15 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 3k4u s THR 139 CO 0.05 -0.06 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.71 3k4u s TYR 140 N -1.65 0.99 0.21 3.99 2.02 -0.05 -4.76 117.35 118.11 3k4u s TYR 140 Ca 0.29 -0.93 0.23 0.00 -0.37 0.00 0.00 57.07 56.29 3k4u s TYR 140 Cb -0.10 -0.56 0.95 0.00 -0.40 0.00 0.00 41.96 41.85 3k4u s TYR 140 CO 0.21 -0.15 1.85 -0.44 -1.57 0.00 0.00 175.55 175.45 3k4u h ASP 141 N 2.89 0.00 -4.81 2.29 3.32 -1.94 0.31 116.42 118.49 3k4u h ASP 141 Ca -0.36 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.52 3k4u h ASP 141 Cb 1.18 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.51 3k4u h ASP 141 CO 0.64 0.26 -0.66 0.42 -1.72 0.00 0.00 179.24 178.18 3k4u s THR 142 N -3.78 0.09 0.20 0.35 -4.23 -1.26 -4.79 115.64 102.22 3k4u s THR 142 Ca -0.00 -0.74 -0.16 0.00 -1.18 0.00 0.00 61.69 59.61 3k4u s THR 142 Cb 0.11 -0.26 0.19 0.00 1.34 0.00 0.00 72.50 73.88 3k4u s THR 142 CO 0.64 -0.41 1.63 -0.33 -0.54 0.00 0.00 174.62 175.61 3k4u h GLU 143 N 4.78 -0.04 -0.66 3.99 3.07 -1.88 0.70 114.58 124.54 3k4u h GLU 143 Ca -0.31 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.69 3k4u h GLU 143 Cb 1.21 0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.00 3k4u h GLU 143 CO 0.42 -0.03 -0.15 0.00 -1.40 0.00 0.00 179.01 177.85 3k4u h ALA 144 N 1.46 0.46 -0.35 3.43 0.00 -1.97 0.96 119.26 123.23 3k4u h ALA 144 Ca 0.27 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 3k4u h ALA 144 Cb 0.46 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3k4u h ALA 144 CO -0.61 -0.42 0.07 0.93 0.00 0.00 0.00 179.25 179.22 3k4u h GLU 145 N 0.01 0.52 0.33 0.00 5.08 -1.32 -0.52 114.58 118.68 3k4u h GLU 145 Ca 0.32 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3k4u h GLU 145 Cb 0.49 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3k4u h GLU 145 CO -0.67 0.49 -0.16 0.00 -1.00 0.00 0.00 179.01 177.67 3k4u h ALA 146 N 1.57 -0.44 -0.17 3.43 0.00 0.10 -2.98 119.26 120.77 3k4u h ALA 146 Ca 0.12 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3k4u h ALA 146 Cb 0.22 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3k4u h ALA 146 CO -0.00 -0.54 -0.37 -0.39 0.00 0.00 0.00 179.25 177.95 3k4u h VAL 147 N -0.85 0.21 -1.01 0.00 -1.51 -0.81 -1.39 116.25 110.88 3k4u h VAL 147 Ca -0.04 0.00 0.41 0.00 -1.23 0.00 0.00 66.70 65.84 3k4u h VAL 147 Cb 0.52 0.21 -0.17 0.00 -2.13 0.00 0.00 31.29 29.72 3k4u h VAL 147 CO 0.07 0.00 0.56 1.56 -1.23 0.00 0.00 177.57 178.53 3k4u h GLN 148 N -0.42 0.04 0.00 5.19 1.08 -1.08 1.33 115.11 121.24 3k4u h GLN 148 Ca 0.10 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3k4u h GLN 148 Cb 0.59 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3k4u h GLN 148 CO -0.40 0.03 0.00 0.39 -0.95 0.00 0.00 178.83 177.90 3k4u n GLU 149 N -5.22 0.00 0.00 1.46 -0.58 -0.52 -0.53 120.64 115.26 3k4u n GLU 149 Ca 0.37 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 3k4u n GLU 149 Cb 1.26 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.63 3k4u n GLU 149 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 3k4u n VAL 150 N -1.42 0.00 0.24 2.62 3.14 0.45 0.40 118.33 123.76 3k4u n VAL 150 Ca 0.00 -0.31 0.14 0.00 -2.96 0.00 0.00 64.34 61.21 3k4u n VAL 150 Cb 0.01 0.94 0.43 0.00 -1.06 0.00 0.00 33.84 34.16 3k4u n VAL 150 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3k4u h LEU 151 N 0.00 0.00 0.00 6.55 3.38 0.23 -3.44 115.31 122.03 3k4u h LEU 151 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3k4u h LEU 151 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k4u h LEU 151 CO 0.00 0.04 0.00 0.59 0.09 0.00 0.00 178.44 179.16 3k4u n ASN 152 N -3.12 0.04 -0.84 -0.43 5.03 0.27 -4.97 115.26 111.23 3k4u n ASN 152 Ca 0.02 -1.03 0.02 0.00 0.87 0.00 0.00 54.58 54.46 3k4u n ASN 152 Cb 0.43 -0.02 0.11 0.00 -1.02 0.00 0.00 39.78 39.28 3k4u n ASN 152 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k4u n GLY 153 N 4.80 1.71 0.12 7.41 0.00 -1.26 -4.56 105.19 113.41 3k4u n GLY 153 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 3k4u n GLY 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k4u n LYS 154 N 0.17 0.61 -4.30 1.61 5.02 -1.20 -4.95 118.16 115.12 3k4u n LYS 154 Ca 0.08 0.42 -0.25 0.00 -2.02 0.00 0.00 58.31 56.54 3k4u n LYS 154 Cb 0.48 -1.66 -0.08 0.00 -0.02 0.00 0.00 35.03 33.74 3k4u n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k4u s ALA 155 N -2.44 3.30 -0.88 7.82 0.00 1.32 -4.95 121.76 125.93 3k4u s ALA 155 Ca -0.31 -2.01 0.21 0.00 0.00 0.00 0.00 51.96 49.86 3k4u s ALA 155 Cb 0.08 -0.36 -0.22 0.00 0.00 0.00 0.00 23.12 22.62 3k4u s ALA 155 CO 0.59 0.00 0.87 -0.25 0.00 0.00 0.00 175.76 176.97 3k4u n ASP 156 N -1.03 0.87 -3.64 0.00 8.00 -0.73 -4.34 116.55 115.67 3k4u n ASP 156 Ca -0.04 -0.85 -0.13 0.00 0.71 0.00 0.00 54.79 54.48 3k4u n ASP 156 Cb 0.63 1.10 -0.07 0.00 -0.02 0.00 0.00 41.12 42.75 3k4u n ASP 156 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3k4u s PHE 158 N -3.06 -0.78 -0.05 1.24 5.36 -0.41 -2.82 117.98 117.47 3k4u s PHE 158 Ca 0.06 1.85 0.06 0.00 -0.96 0.00 0.00 56.93 57.94 3k4u s PHE 158 Cb 0.16 0.30 -0.01 0.00 -0.34 0.00 0.00 43.02 43.12 3k4u s PHE 158 CO 0.87 -0.38 -0.24 -1.50 -1.46 0.00 0.00 175.22 172.51 3k4u s ILE 159 N 0.51 1.96 0.22 3.12 2.07 -0.99 -0.85 121.20 127.25 3k4u s ILE 159 Ca -0.01 -1.03 -0.17 0.00 -1.41 0.00 0.00 60.65 58.03 3k4u s ILE 159 Cb -0.05 -1.65 0.06 0.00 0.13 0.00 0.00 42.46 40.95 3k4u s ILE 159 CO -0.02 0.55 0.82 0.33 -1.91 0.00 0.00 174.94 174.71 3k4u n PHE 160 N 2.84 -1.58 -1.70 3.50 7.35 -0.97 -4.68 117.46 122.22 3k4u n PHE 160 Ca -0.17 -1.27 -0.44 0.00 -0.76 0.00 0.00 57.45 54.81 3k4u n PHE 160 Cb 0.52 0.63 -0.02 0.00 0.35 0.00 0.00 39.48 40.96 3k4u n PHE 160 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3k4u n ASP 161 N -1.29 3.14 -0.34 -2.13 10.43 -1.26 -1.05 116.55 124.06 3k4u n ASP 161 Ca -0.04 1.15 0.01 0.00 2.57 0.00 0.00 54.79 58.48 3k4u n ASP 161 Cb 0.51 -1.49 0.15 0.00 1.84 0.00 0.00 41.12 42.13 3k4u n ASP 161 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3k4u h LEU 162 N 4.30 0.94 -1.31 0.64 6.46 -1.55 -2.26 115.31 122.53 3k4u h LEU 162 Ca -0.46 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.27 3k4u h LEU 162 Cb 1.26 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 3k4u h LEU 162 CO 0.76 0.61 -0.04 -0.65 -0.62 0.00 0.00 178.44 178.50 3k4u h PRO 163 N 1.08 0.42 -0.50 5.25 0.11 -1.90 -1.35 132.00 135.10 3k4u h PRO 163 Ca 0.40 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.37 3k4u h PRO 163 Cb 0.14 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 3k4u h PRO 163 CO -0.17 0.48 0.13 0.35 -0.21 0.00 0.00 178.00 178.59 3k4u h PHE 164 N 0.40 0.83 0.27 0.65 3.57 -1.49 -1.61 116.94 119.56 3k4u h PHE 164 Ca 0.09 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.50 3k4u h PHE 164 Cb 0.33 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3k4u h PHE 164 CO 0.01 0.74 -0.35 -0.91 -2.23 0.00 0.00 178.31 175.56 3k4u h ASN 165 N 0.69 -0.98 -0.67 0.41 -0.26 -1.13 0.50 115.58 114.13 3k4u h ASN 165 Ca 0.16 0.10 0.04 0.00 -0.56 0.00 0.00 56.30 56.04 3k4u h ASN 165 Cb 0.32 0.35 -0.04 0.00 -1.06 0.00 0.00 38.32 37.88 3k4u h ASN 165 CO -0.00 -0.47 0.44 1.62 -1.06 0.00 0.00 177.43 177.96 3k4u h VAL 166 N -0.68 1.07 -0.14 2.81 3.04 -1.17 -2.47 116.25 118.71 3k4u h VAL 166 Ca -0.00 -0.26 -0.07 0.00 -1.01 0.00 0.00 66.70 65.36 3k4u h VAL 166 Cb 0.64 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.16 3k4u h VAL 166 CO -0.12 0.14 -0.17 0.00 -1.01 0.00 0.00 177.57 176.41 3k4u h ALA 167 N 1.62 0.21 0.00 3.17 0.00 -1.02 -2.50 119.26 120.75 3k4u h ALA 167 Ca 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k4u h ALA 167 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k4u h ALA 167 CO -0.08 0.12 0.00 0.34 0.00 0.00 0.00 179.25 179.63 3k4u n PHE 168 N -4.53 0.00 0.00 0.00 7.35 0.14 0.55 117.46 120.98 3k4u n PHE 168 Ca -0.06 -0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 3k4u n PHE 168 Cb 0.38 -0.16 0.00 0.00 0.35 0.00 0.00 39.48 40.05 3k4u n PHE 168 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3k4u n ALA 170 N 1.15 0.00 0.17 3.13 0.00 -0.94 0.61 120.51 124.63 3k4u n ALA 170 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3k4u n ALA 170 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 3k4u n ALA 170 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3k4u h GLN 171 N 0.00 -0.47 0.00 0.00 4.15 -0.17 -3.47 115.11 115.14 3k4u h GLN 171 Ca 0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3k4u h GLN 171 Cb 0.00 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.80 3k4u h GLN 171 CO 0.00 -0.32 -0.24 1.63 -1.93 0.00 0.00 178.83 177.97 3k4u n LYS 172 N -4.93 1.70 -0.29 1.69 5.02 0.20 -4.85 118.16 116.69 3k4u n LYS 172 Ca -0.06 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.18 3k4u n LYS 172 Cb 0.19 -0.62 0.05 0.00 -0.02 0.00 0.00 35.03 34.63 3k4u n LYS 172 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4u n GLY 173 N 0.99 2.53 0.44 0.72 0.00 -0.54 -4.53 105.19 104.79 3k4u n GLY 173 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 3k4u n GLY 173 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3k4u h GLN 174 N 0.32 -1.02 0.18 1.61 1.08 -1.85 -3.18 115.11 112.26 3k4u h GLN 174 Ca 0.14 0.07 -0.31 0.00 -1.45 0.00 0.00 58.65 57.09 3k4u h GLN 174 Cb 1.39 0.23 0.02 0.00 -0.05 0.00 0.00 27.48 29.07 3k4u h GLN 174 CO 0.25 -0.68 -1.46 0.78 -0.95 0.00 0.00 178.83 176.78 3k4u h GLY 175 N -1.06 0.44 0.00 3.46 0.00 -2.01 -3.44 103.07 100.46 3k4u h GLY 175 Ca -0.10 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.11 3k4u h GLY 175 CO 0.13 0.98 -0.05 -0.97 0.00 0.00 0.00 176.54 176.64 3k4u h TYR 176 N 0.10 0.00 -4.31 5.60 0.05 -1.84 -3.47 116.97 113.11 3k4u h TYR 176 Ca -0.23 0.00 -0.51 0.00 0.05 0.00 0.00 58.73 58.04 3k4u h TYR 176 Cb 2.07 0.00 0.12 0.00 1.01 0.00 0.00 36.73 39.93 3k4u h TYR 176 CO 0.09 0.00 0.33 -0.51 -1.05 0.00 0.00 178.16 177.03 3k4u s LEU 177 N -5.00 3.02 -0.02 3.88 2.01 -1.20 -3.24 118.68 118.13 3k4u s LEU 177 Ca -0.01 1.72 0.07 0.00 0.01 0.00 0.00 54.13 55.92 3k4u s LEU 177 Cb 0.00 -4.47 -0.02 0.00 0.01 0.00 0.00 46.19 41.72 3k4u s LEU 177 CO 0.02 -1.86 -0.22 -0.69 1.01 0.00 0.00 176.35 174.61 3k4u s VAL 178 N -2.96 1.76 -0.47 -1.59 1.01 0.40 -4.73 120.40 113.83 3k4u s VAL 178 Ca 0.60 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 3k4u s VAL 178 Cb -0.16 -1.47 0.10 0.00 0.00 0.00 0.00 36.38 34.86 3k4u s VAL 178 CO 0.56 0.50 0.35 -2.28 0.00 0.00 0.00 175.10 174.23 3k4u s HIS 179 N -0.50 3.34 -0.38 5.22 2.46 -1.26 0.06 115.29 124.23 3k4u s HIS 179 Ca 0.08 -1.54 -0.26 0.00 0.47 0.00 0.00 55.06 53.81 3k4u s HIS 179 Cb -0.09 -3.33 0.02 0.00 -0.13 0.00 0.00 32.58 29.05 3k4u s HIS 179 CO -0.01 -0.92 0.93 -0.51 -2.47 0.00 0.00 174.74 171.76 3k4u s LEU 180 N 1.46 3.99 -0.22 8.88 1.43 -0.99 -4.91 118.68 128.31 3k4u s LEU 180 Ca 0.04 0.54 0.15 0.00 -1.03 0.00 0.00 54.13 53.83 3k4u s LEU 180 Cb -0.26 -3.27 0.69 0.00 0.03 0.00 0.00 46.19 43.38 3k4u s LEU 180 CO 0.02 -0.89 1.61 -0.90 0.23 0.00 0.00 176.35 176.42 3k4u n ASP 181 N 6.84 4.83 -4.56 2.29 5.68 -1.26 -1.99 116.55 128.38 3k4u n ASP 181 Ca 0.07 -3.01 -0.43 0.00 -0.50 0.00 0.00 54.79 50.92 3k4u n ASP 181 Cb 0.48 -0.63 -0.04 0.00 -1.14 0.00 0.00 41.12 39.79 3k4u n ASP 181 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3k4u s THR 182 N -2.83 4.53 0.17 2.12 2.01 -1.26 -4.97 115.64 115.41 3k4u s THR 182 Ca 0.49 0.64 -0.34 0.00 0.31 0.00 0.00 61.69 62.80 3k4u s THR 182 Cb 0.39 -4.40 -0.15 0.00 0.01 0.00 0.00 72.50 68.35 3k4u s THR 182 CO 0.12 -0.80 1.43 -0.24 -0.69 0.00 0.00 174.62 174.44 3k4u n SER 183 N 7.02 2.48 -0.16 3.53 2.88 -1.26 -4.65 113.62 123.46 3k4u n SER 183 Ca 0.05 1.11 0.02 0.00 -1.33 0.00 0.00 58.87 58.72 3k4u n SER 183 Cb 0.48 -1.35 0.02 0.00 -0.75 0.00 0.00 64.21 62.61 3k4u n SER 183 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3k4u n LEU 184 N 2.70 1.39 -3.86 2.46 4.77 0.04 -4.94 117.00 119.56 3k4u n LEU 184 Ca 0.15 -1.06 -0.10 0.00 -0.03 0.00 0.00 56.01 54.98 3k4u n LEU 184 Cb 0.27 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 3k4u n LEU 184 CO 0.63 0.31 0.06 0.42 -1.33 0.00 0.00 177.39 177.48 3k4u s THR 185 N -0.37 0.07 -0.45 -5.08 -4.23 -1.26 -4.88 115.64 99.44 3k4u s THR 185 Ca 0.05 -1.12 -0.11 0.00 -1.18 0.00 0.00 61.69 59.33 3k4u s THR 185 Cb 0.03 -1.63 0.08 0.00 1.34 0.00 0.00 72.50 72.32 3k4u s THR 185 CO 0.05 -0.30 0.32 -0.47 -0.54 0.00 0.00 174.62 173.67 3k4u s TYR 186 N -3.91 3.32 -0.46 3.99 5.04 -1.26 -4.34 117.35 119.72 3k4u s TYR 186 Ca 0.12 -1.38 0.03 0.00 -2.44 0.00 0.00 57.07 53.40 3k4u s TYR 186 Cb 0.02 -3.11 0.12 0.00 0.35 0.00 0.00 41.96 39.34 3k4u s TYR 186 CO -0.04 -0.86 0.20 -1.21 -1.34 0.00 0.00 175.55 172.31 3k4u s GLU 187 N 1.49 1.86 0.02 4.97 2.02 0.66 -5.02 118.70 124.71 3k4u s GLU 187 Ca 0.04 -2.30 -0.30 0.00 0.02 0.00 0.00 54.97 52.43 3k4u s GLU 187 Cb -0.24 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 3k4u s GLU 187 CO 0.03 -1.05 1.18 -1.25 0.02 0.00 0.00 175.26 174.19 3k4u s PRO 188 N 0.25 4.42 -0.07 0.39 0.05 -1.26 -1.19 135.00 137.60 3k4u s PRO 188 Ca 0.14 1.71 -0.04 0.00 0.05 0.00 0.00 61.00 62.87 3k4u s PRO 188 Cb -0.23 -3.42 -0.04 0.00 0.05 0.00 0.00 34.50 30.87 3k4u s PRO 188 CO -0.03 -0.29 0.12 -0.51 0.05 0.00 0.00 177.00 176.33 3k4u s LEU 189 N 1.38 4.18 0.04 -3.56 1.02 0.20 -0.90 118.68 121.04 3k4u s LEU 189 Ca 0.57 0.34 -0.17 0.00 0.02 0.00 0.00 54.13 54.89 3k4u s LEU 189 Cb -0.27 -2.20 0.03 0.00 0.02 0.00 0.00 46.19 43.77 3k4u s LEU 189 CO 0.27 0.35 0.39 -0.83 0.02 0.00 0.00 176.35 176.55 3k4u s GLY 190 N -1.35 -0.25 0.17 -3.19 0.00 -1.26 -1.49 107.32 99.95 3k4u s GLY 190 Ca 0.19 0.26 -0.30 0.00 0.00 0.00 0.00 44.72 44.87 3k4u s GLY 190 CO 0.09 0.01 0.97 -0.98 0.00 0.00 0.00 173.10 173.19 3k4u s TRP 191 N -2.45 3.85 0.04 1.90 0.51 -1.26 -4.68 118.94 116.85 3k4u s TRP 191 Ca -0.05 1.82 0.04 0.00 -2.12 0.00 0.00 56.10 55.79 3k4u s TRP 191 Cb -0.01 -3.05 -0.04 0.00 -0.81 0.00 0.00 33.47 29.56 3k4u s TRP 191 CO -0.02 0.21 -0.03 0.00 -0.51 0.00 0.00 176.95 176.59 3k4u s ALA 192 N -0.46 3.16 0.05 0.98 0.00 -1.18 -0.62 121.76 123.69 3k4u s ALA 192 Ca 0.45 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 3k4u s ALA 192 Cb -0.25 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 3k4u s ALA 192 CO 0.31 0.65 -0.04 0.96 0.00 0.00 0.00 175.76 177.65 3k4u s ILE 193 N -1.15 0.27 0.69 0.00 -4.36 -0.50 -1.14 121.20 115.01 3k4u s ILE 193 Ca 0.21 -1.71 -0.16 0.00 -0.26 0.00 0.00 60.65 58.73 3k4u s ILE 193 Cb -0.11 -1.39 0.02 0.00 1.25 0.00 0.00 42.46 42.23 3k4u s ILE 193 CO 0.12 -0.92 1.18 -1.59 0.24 0.00 0.00 174.94 173.97 3k4u s LYS 194 N -3.60 2.47 0.75 0.37 -2.85 -1.26 -1.37 119.74 114.25 3k4u s LYS 194 Ca 0.05 1.66 -0.14 0.00 -1.00 0.00 0.00 55.97 56.53 3k4u s LYS 194 Cb 0.05 -1.88 0.05 0.00 -2.06 0.00 0.00 37.83 33.99 3k4u s LYS 194 CO -0.08 -1.56 1.20 0.15 0.10 0.00 0.00 175.35 175.16 3k4u s LYS 195 N -3.86 2.06 -0.59 1.78 1.02 -1.26 -3.87 119.74 115.02 3k4u s LYS 195 Ca 0.73 1.73 0.00 0.00 0.02 0.00 0.00 55.97 58.44 3k4u s LYS 195 Cb -0.27 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3k4u s LYS 195 CO 0.42 -1.89 0.00 0.41 -0.92 0.00 0.00 175.35 173.37 3k4u n GLY 196 N 0.33 0.67 2.63 -3.33 0.00 -1.26 -4.99 105.19 99.24 3k4u n GLY 196 Ca 0.13 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 3k4u n GLY 196 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k4u n ASP 197 N 1.03 2.34 0.13 1.61 4.64 -1.25 -4.97 116.55 120.08 3k4u n ASP 197 Ca -0.06 -3.08 0.10 0.00 -1.38 0.00 0.00 54.79 50.37 3k4u n ASP 197 Cb 0.27 -0.69 0.49 0.00 -1.04 0.00 0.00 41.12 40.15 3k4u n ASP 197 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3k4u n PRO 198 N 1.79 0.13 -0.02 -0.67 -0.04 -1.26 -2.78 135.00 132.16 3k4u n PRO 198 Ca 0.24 0.55 -0.16 0.00 -0.04 0.00 0.00 63.50 64.10 3k4u n PRO 198 Cb 0.40 -1.87 -0.12 0.00 -0.04 0.00 0.00 33.50 31.88 3k4u n PRO 198 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3k4u h ASP 199 N 0.00 0.30 -0.77 3.54 3.32 -1.99 -2.06 116.42 118.76 3k4u h ASP 199 Ca 0.00 -0.80 0.07 0.00 0.02 0.00 0.00 57.03 56.33 3k4u h ASP 199 Cb 0.10 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 3k4u h ASP 199 CO 0.00 1.06 0.44 0.15 -1.72 0.00 0.00 179.24 179.17 3k4u h PHE 200 N -0.43 0.81 -0.12 4.55 3.57 -1.95 0.19 116.94 123.57 3k4u h PHE 200 Ca -0.05 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3k4u h PHE 200 Cb 1.12 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 3k4u h PHE 200 CO 0.18 0.37 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.52 3k4u h LEU 201 N 0.79 -0.15 -0.42 0.59 3.38 -1.48 0.47 115.31 118.48 3k4u h LEU 201 Ca 0.35 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.45 3k4u h LEU 201 Cb 0.25 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 3k4u h LEU 201 CO -0.21 -0.06 -0.19 -1.13 0.09 0.00 0.00 178.44 176.94 3k4u h ASN 202 N -0.02 -0.66 -0.51 -0.43 -0.73 -0.90 0.18 115.58 112.50 3k4u h ASN 202 Ca 0.06 0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.34 3k4u h ASN 202 Cb 0.12 0.36 -0.03 0.00 0.27 0.00 0.00 38.32 39.04 3k4u h ASN 202 CO -0.14 -0.22 0.17 -0.25 -0.37 0.00 0.00 177.43 176.62 3k4u h TRP 203 N -0.11 0.85 -0.33 0.67 7.01 0.22 -2.31 115.95 121.95 3k4u h TRP 203 Ca 0.20 -0.07 -0.08 0.00 2.11 0.00 0.00 58.89 61.05 3k4u h TRP 203 Cb 0.43 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 3k4u h TRP 203 CO -0.44 0.69 -0.13 -0.07 -2.79 0.00 0.00 178.44 175.71 3k4u h LEU 204 N 0.81 0.68 -0.69 0.65 -0.00 0.83 -1.78 115.31 115.81 3k4u h LEU 204 Ca 0.18 -0.39 -0.12 0.00 -0.00 0.00 0.00 57.88 57.56 3k4u h LEU 204 Cb 0.24 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 3k4u h LEU 204 CO -0.01 0.91 -0.25 0.78 -0.00 0.00 0.00 178.44 179.88 3k4u h ASN 205 N 0.44 0.77 -0.33 -0.43 2.35 -0.46 -1.10 115.58 116.81 3k4u h ASN 205 Ca 0.08 -0.28 -0.13 0.00 -0.55 0.00 0.00 56.30 55.42 3k4u h ASN 205 Cb 0.64 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3k4u h ASN 205 CO 0.04 0.98 -0.28 0.45 -1.65 0.00 0.00 177.43 176.97 3k4u h HIS 206 N 0.65 0.92 -0.32 1.19 3.86 -1.43 -1.65 115.15 118.36 3k4u h HIS 206 Ca 0.09 -0.27 0.03 0.00 -1.16 0.00 0.00 60.37 59.06 3k4u h HIS 206 Cb 0.76 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 3k4u h HIS 206 CO 0.04 1.03 0.14 0.35 0.86 0.00 0.00 177.93 180.35 3k4u h PHE 207 N 0.55 0.26 -0.97 2.45 3.57 -1.23 -1.80 116.94 119.77 3k4u h PHE 207 Ca 0.06 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3k4u h PHE 207 Cb 0.86 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 3k4u h PHE 207 CO 0.07 0.13 0.64 1.25 -2.23 0.00 0.00 178.31 178.17 3k4u h LEU 208 N 0.30 1.10 -1.61 0.59 5.85 -1.09 -0.87 115.31 119.58 3k4u h LEU 208 Ca 0.14 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3k4u h LEU 208 Cb 0.08 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3k4u h LEU 208 CO -0.12 0.79 -0.21 0.00 -0.34 0.00 0.00 178.44 178.56 3k4u h ALA 209 N 1.40 1.43 0.41 1.25 0.00 -1.20 -2.62 119.26 119.93 3k4u h ALA 209 Ca 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3k4u h ALA 209 Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3k4u h ALA 209 CO -0.09 0.27 -0.20 1.96 0.00 0.00 0.00 179.25 181.19 3k4u h GLN 210 N 0.00 -0.53 0.00 0.00 1.08 -0.27 -3.20 115.11 112.20 3k4u h GLN 210 Ca -0.00 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 3k4u h GLN 210 Cb 0.43 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3k4u h GLN 210 CO 0.03 -0.21 -0.06 -0.84 -0.95 0.00 0.00 178.83 176.80 3k4u h ILE 211 N -0.91 0.29 0.00 2.54 3.07 -1.39 0.60 117.51 121.72 3k4u h ILE 211 Ca -0.06 -0.36 -0.02 0.00 1.55 0.00 0.00 64.86 65.97 3k4u h ILE 211 Cb 0.55 1.27 -0.00 0.00 -0.27 0.00 0.00 36.82 38.38 3k4u h ILE 211 CO 0.09 0.06 -0.08 0.11 -1.05 0.00 0.00 178.15 177.28 3k4u h LYS 212 N 0.00 0.00 0.00 0.16 1.57 -1.57 0.10 116.57 116.82 3k4u h LYS 212 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3k4u h LYS 212 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3k4u h LYS 212 CO 0.01 0.08 -1.78 0.72 -0.57 0.00 0.00 179.45 177.91 3k4u n HIS 213 N -3.17 0.00 -0.25 -1.35 8.25 0.14 -4.54 115.22 114.30 3k4u n HIS 213 Ca 0.01 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.69 3k4u n HIS 213 Cb 0.41 -0.51 0.56 0.00 1.12 0.00 0.00 29.99 31.56 3k4u n HIS 213 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3k4u h ASP 214 N 0.00 0.32 0.00 0.41 5.19 -0.21 -3.46 116.42 118.67 3k4u h ASP 214 Ca -0.22 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 3k4u h ASP 214 Cb 1.38 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.87 3k4u h ASP 214 CO 0.01 0.11 0.00 0.61 -3.12 0.00 0.00 179.24 176.85 3k4u n GLY 215 N -1.55 1.89 0.52 2.75 0.00 -1.26 -4.97 105.19 102.57 3k4u n GLY 215 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 3k4u n GLY 215 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k4u h SER 216 N 0.00 -1.12 -0.54 1.61 0.02 -1.88 0.25 113.55 111.89 3k4u h SER 216 Ca 0.00 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.10 3k4u h SER 216 Cb 0.00 0.29 -0.09 0.00 0.14 0.00 0.00 62.40 62.74 3k4u h SER 216 CO 0.00 -0.80 0.00 0.22 -1.14 0.00 0.00 176.83 175.11 3k4u h TYR 217 N -1.33 -0.03 -0.35 3.45 3.20 -1.32 -1.78 116.97 118.80 3k4u h TYR 217 Ca -0.14 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.84 3k4u h TYR 217 Cb 1.01 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.32 3k4u h TYR 217 CO 0.01 -0.13 -0.05 -0.44 -1.64 0.00 0.00 178.16 175.91 3k4u h ASP 218 N 0.12 -0.24 -0.98 -2.11 3.45 -1.66 0.28 116.42 115.29 3k4u h ASP 218 Ca 0.28 0.10 0.12 0.00 0.43 0.00 0.00 57.03 57.95 3k4u h ASP 218 Cb 0.43 0.19 -0.08 0.00 -0.56 0.00 0.00 39.33 39.31 3k4u h ASP 218 CO -0.46 -0.08 0.62 -0.08 -1.57 0.00 0.00 179.24 177.67 3k4u h GLU 219 N 0.04 0.93 0.00 3.56 4.81 -0.34 -1.51 114.58 122.07 3k4u h GLU 219 Ca 0.17 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 3k4u h GLU 219 Cb 0.25 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3k4u h GLU 219 CO -0.33 0.62 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.12 3k4u h LEU 220 N 0.96 0.00 -0.06 1.64 3.38 -0.30 -2.97 115.31 117.96 3k4u h LEU 220 Ca 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.42 3k4u h LEU 220 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3k4u h LEU 220 CO -0.24 0.38 -0.05 0.22 0.09 0.00 0.00 178.44 178.84 3k4u h TYR 221 N 0.00 0.17 -0.24 1.13 3.20 0.50 -3.12 116.97 118.62 3k4u h TYR 221 Ca -0.00 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.86 3k4u h TYR 221 Cb 1.29 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.49 3k4u h TYR 221 CO 0.00 0.57 -0.00 0.93 -1.64 0.00 0.00 178.16 178.02 3k4u h GLU 222 N -0.28 0.07 -0.78 1.82 4.39 -1.52 0.42 114.58 118.70 3k4u h GLU 222 Ca 0.01 -0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.89 3k4u h GLU 222 Cb 0.54 -0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.03 3k4u h GLU 222 CO 0.01 0.05 0.01 -0.09 -1.16 0.00 0.00 179.01 177.83 3k4u h ARG 223 N 0.07 0.10 0.00 2.33 9.65 -1.48 0.16 114.38 125.21 3k4u h ARG 223 Ca 0.11 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3k4u h ARG 223 Cb 0.14 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 3k4u h ARG 223 CO -0.19 0.06 -1.25 0.91 2.80 0.00 0.00 179.97 182.31 3k4u n TRP 224 N -5.36 0.00 0.42 2.20 7.02 -1.07 -3.81 117.44 116.84 3k4u n TRP 224 Ca 0.15 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.67 3k4u n TRP 224 Cb 0.50 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 29.21 3k4u n TRP 224 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3k4u n PHE 225 N -1.72 0.00 0.00 -5.99 3.72 0.11 -4.74 117.46 108.84 3k4u n PHE 225 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3k4u n PHE 225 Cb 0.24 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3k4u n PHE 225 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3k4u n VAL 226 N -0.17 0.00 0.26 -4.37 0.31 -0.90 -4.99 118.33 108.46 3k4u n VAL 226 Ca 0.04 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.53 3k4u n VAL 226 Cb 0.20 -0.23 0.89 0.00 -0.91 0.00 0.00 33.84 33.79 3k4u n VAL 226 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3k4u h ASP 227 N 0.00 0.00 0.00 4.52 -0.00 -0.81 -3.46 116.42 116.68 3k4u h ASP 227 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3k4u h ASP 227 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.47 3k4u h ASP 227 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 179.24 179.59 3k4u n THR 228 N -3.79 0.00 0.08 2.25 -2.24 -1.26 -4.76 114.28 104.57 3k4u n THR 228 Ca -0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 3k4u n THR 228 Cb 0.20 -0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 67.88 3k4u n THR 228 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3k4u h LYS 229 N 0.00 0.22 0.00 -0.78 3.64 -1.89 -3.33 116.57 114.43 3k4u h LYS 229 Ca 0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3k4u h LYS 229 Cb 0.28 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3k4u h LYS 229 CO 0.00 1.02 0.00 -2.67 -2.27 0.00 0.00 179.45 175.53 3k4u n TRP 230 N -3.62 0.00 -0.13 1.91 4.27 -1.26 -3.79 117.44 114.81 3k4u n TRP 230 Ca -0.04 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.46 3k4u n TRP 230 Cb 0.85 -0.08 -0.02 0.00 -1.36 0.00 0.00 31.31 30.71 3k4u n TRP 230 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 3k4u h LEU 231 N 0.00 0.63 -9.44 5.67 3.38 -1.98 -3.34 115.31 110.24 3k4u h LEU 231 Ca 0.00 -0.30 -0.62 0.00 0.09 0.00 0.00 57.88 57.05 3k4u h LEU 231 Cb 0.08 -0.17 0.08 0.00 0.09 0.00 0.00 40.66 40.74 3k4u h LEU 231 CO 0.00 0.78 0.41 1.21 0.09 0.00 0.00 178.44 180.92 3k4u n GLU 232 N -4.49 1.52 0.00 1.13 4.07 -1.25 -5.11 120.64 116.52 3k4u n GLU 232 Ca -0.01 0.54 0.09 0.00 -0.06 0.00 0.00 57.16 57.72 3k4u n GLU 232 Cb 0.27 -2.10 0.52 0.00 -0.06 0.00 0.00 31.44 30.07 3k4u n GLU 232 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70