#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 0.82 0.00 1.96 0.52 -1.26 -4.95 118.95 116.05 3k4u s ARG 2 Ca 0.00 -1.04 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 3k4u s ARG 2 Cb 0.00 -0.66 0.00 0.00 0.52 0.00 0.00 34.95 34.81 3k4u s ARG 2 CO 0.00 0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.86 3k4u n GLY 3 N 0.94 2.12 3.42 -3.53 0.00 -1.26 -4.90 105.19 101.97 3k4u n GLY 3 Ca -0.19 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 0.93 -0.49 1.61 -1.05 -1.26 -2.40 118.70 116.03 3k4u s GLU 4 Ca 0.00 0.08 -0.17 0.00 -0.15 0.00 0.00 54.97 54.73 3k4u s GLU 4 Cb 0.00 0.43 0.07 0.00 -0.44 0.00 0.00 34.13 34.19 3k4u s GLU 4 CO 0.00 -0.28 0.52 -1.17 0.95 0.00 0.00 175.26 175.27 3k4u s LEU 5 N -1.28 5.32 -0.38 1.83 2.96 0.62 -4.89 118.68 122.86 3k4u s LEU 5 Ca -0.12 -1.15 -0.24 0.00 -0.22 0.00 0.00 54.13 52.40 3k4u s LEU 5 Cb -0.02 -2.31 0.01 0.00 0.50 0.00 0.00 46.19 44.38 3k4u s LEU 5 CO 0.07 -0.78 0.85 -0.13 -1.32 0.00 0.00 176.35 175.04 3k4u s ARG 6 N 2.14 3.75 -0.25 1.98 0.52 -1.26 -2.65 118.95 123.17 3k4u s ARG 6 Ca 0.09 0.38 -0.06 0.00 -0.52 0.00 0.00 55.73 55.62 3k4u s ARG 6 Cb -0.22 -3.82 -0.01 0.00 0.52 0.00 0.00 34.95 31.41 3k4u s ARG 6 CO 0.09 -0.94 0.03 0.08 0.02 0.00 0.00 175.30 174.59 3k4u s VAL 7 N 3.32 3.90 -0.14 3.52 1.01 -0.45 0.30 120.40 131.85 3k4u s VAL 7 Ca 0.34 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 3k4u s VAL 7 Cb -0.12 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 3k4u s VAL 7 CO 0.19 0.30 0.22 -0.83 0.00 0.00 0.00 175.10 174.98 3k4u s GLY 8 N 1.54 2.18 0.31 4.51 0.00 -0.94 -0.49 107.32 114.43 3k4u s GLY 8 Ca 0.05 -0.54 0.06 0.00 0.00 0.00 0.00 44.72 44.29 3k4u s GLY 8 CO 0.01 0.11 0.27 0.48 0.00 0.00 0.00 173.10 173.97 3k4u s LEU 9 N -0.12 1.65 -0.16 0.66 0.05 -1.09 -3.48 118.68 116.17 3k4u s LEU 9 Ca 0.15 -1.70 -0.01 0.00 0.05 0.00 0.00 54.13 52.62 3k4u s LEU 9 Cb -0.13 0.57 0.04 0.00 -2.05 0.00 0.00 46.19 44.63 3k4u s LEU 9 CO 0.03 -1.05 -0.04 -0.70 -0.55 0.00 0.00 176.35 174.05 3k4u s GLU 10 N -3.52 1.33 0.45 1.48 2.12 -1.23 0.32 118.70 119.65 3k4u s GLU 10 Ca 0.40 -0.49 -0.25 0.00 0.36 0.00 0.00 54.97 54.99 3k4u s GLU 10 Cb 0.03 -1.97 -0.08 0.00 0.26 0.00 0.00 34.13 32.36 3k4u s GLU 10 CO 0.25 -0.45 1.41 -2.30 -0.54 0.00 0.00 175.26 173.63 3k4u n PRO 11 N 4.90 2.17 0.00 4.30 -0.02 -1.26 -4.23 135.00 140.86 3k4u n PRO 11 Ca -0.11 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3k4u n PRO 11 Cb 0.48 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3k4u n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4u n GLY 12 N 0.62 1.35 3.45 -1.23 0.00 0.18 -4.92 105.19 104.64 3k4u n GLY 12 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.65 2.81 0.36 1.61 6.04 -0.82 -4.77 117.35 120.92 3k4u s TYR 13 Ca 0.00 -0.82 -0.27 0.00 0.04 0.00 0.00 57.07 56.02 3k4u s TYR 13 Cb 0.00 -4.30 -0.09 0.00 -1.04 0.00 0.00 41.96 36.53 3k4u s TYR 13 CO 0.00 -1.61 1.21 -0.51 -1.54 0.00 0.00 175.55 173.10 3k4u s LEU 14 N 3.66 4.34 -0.16 6.97 1.02 -1.26 -0.48 118.68 132.77 3k4u s LEU 14 Ca 0.26 2.46 0.10 0.00 0.02 0.00 0.00 54.13 56.96 3k4u s LEU 14 Cb -0.13 -3.82 0.57 0.00 0.02 0.00 0.00 46.19 42.83 3k4u s LEU 14 CO 0.03 -0.54 1.36 -0.81 0.02 0.00 0.00 176.35 176.42 3k4u n PRO 15 N 0.52 3.70 0.08 1.29 -0.04 -1.26 -3.63 135.00 135.67 3k4u n PRO 15 Ca 0.02 -2.18 -0.04 0.00 -0.04 0.00 0.00 63.50 61.26 3k4u n PRO 15 Cb 0.44 -2.03 -0.02 0.00 -0.04 0.00 0.00 33.50 31.85 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 2.77 -0.24 -2.70 0.54 0.04 -1.12 -2.07 116.94 114.15 3k4u h PHE 16 Ca 0.00 -0.01 -0.48 0.00 2.80 0.00 0.00 57.97 60.28 3k4u h PHE 16 Cb 1.53 0.08 -0.14 0.00 2.20 0.00 0.00 35.95 39.62 3k4u h PHE 16 CO 0.76 -0.15 -0.70 -1.21 -0.60 0.00 0.00 178.31 176.40 3k4u s GLU 17 N -2.40 1.47 -0.11 1.51 8.01 -0.66 -2.47 118.70 124.05 3k4u s GLU 17 Ca -0.04 -1.71 0.03 0.00 0.01 0.00 0.00 54.97 53.26 3k4u s GLU 17 Cb 0.00 -1.18 -0.01 0.00 -4.31 0.00 0.00 34.13 28.63 3k4u s GLU 17 CO 0.12 0.11 -0.20 0.15 0.01 0.00 0.00 175.26 175.45 3k4u s LYS 19 N -3.68 3.16 1.08 1.61 1.02 -1.26 0.49 119.74 122.16 3k4u s LYS 19 Ca 0.27 -0.81 -0.15 0.00 0.02 0.00 0.00 55.97 55.30 3k4u s LYS 19 Cb 0.01 -2.42 0.14 0.00 -0.52 0.00 0.00 37.83 35.05 3k4u s LYS 19 CO 0.10 0.20 0.44 -3.47 -0.92 0.00 0.00 175.35 171.70 3k4u n ASP 20 N 3.50 -1.93 -0.04 2.83 -0.08 0.33 -4.86 116.55 116.30 3k4u n ASP 20 Ca -0.19 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 52.96 3k4u n ASP 20 Cb 0.53 -1.13 -0.01 0.00 2.34 0.00 0.00 41.12 42.84 3k4u n ASP 20 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3k4u h LYS 21 N -2.12 0.76 0.00 -0.67 2.10 -1.94 -2.30 116.57 112.41 3k4u h LYS 21 Ca -0.53 -0.50 0.00 0.00 -2.00 0.00 0.00 60.65 57.62 3k4u h LYS 21 Cb 1.33 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 3k4u h LYS 21 CO 0.40 1.13 0.00 1.63 -2.00 0.00 0.00 179.45 180.61 3k4u n LYS 22 N -3.98 0.38 0.00 0.07 5.02 -1.26 -4.87 118.16 113.52 3k4u n LYS 22 Ca -0.04 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3k4u n LYS 22 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 3k4u n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4u n GLY 23 N -0.12 2.21 3.77 0.72 0.00 -0.86 -5.03 105.19 105.87 3k4u n GLY 23 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.32 6.28 -0.18 1.61 0.02 -1.26 -4.41 114.94 113.68 3k4u s ASN 24 Ca 0.00 2.58 -0.15 0.00 -1.02 0.00 0.00 52.86 54.27 3k4u s ASN 24 Cb 0.00 -2.63 -0.04 0.00 0.02 0.00 0.00 41.25 38.60 3k4u s ASN 24 CO 0.00 -0.86 0.36 0.54 0.02 0.00 0.00 177.10 177.16 3k4u s VAL 25 N -1.31 5.24 0.23 1.60 0.11 -1.26 0.12 120.40 125.13 3k4u s VAL 25 Ca 0.58 0.66 0.02 0.00 -2.93 0.00 0.00 61.98 60.31 3k4u s VAL 25 Cb -0.36 -3.70 -0.05 0.00 -1.53 0.00 0.00 36.38 30.74 3k4u s VAL 25 CO 0.46 0.31 0.06 0.27 -3.33 0.00 0.00 175.10 172.86 3k4u s ILE 26 N 0.96 0.63 -4.92 7.04 -4.36 -1.26 -4.95 121.20 114.34 3k4u s ILE 26 Ca 0.18 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 3k4u s ILE 26 Cb -0.14 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.13 3k4u s ILE 26 CO 0.07 -0.19 0.00 0.61 0.24 0.00 0.00 174.94 175.67 3k4u n GLY 27 N -0.39 1.01 0.24 6.27 0.00 -1.26 -4.27 105.19 106.80 3k4u n GLY 27 Ca -0.03 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.53 0.00 1.61 3.57 -1.04 -0.67 116.94 119.87 3k4u h PHE 28 Ca 0.00 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3k4u h PHE 28 Cb 0.00 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3k4u h PHE 28 CO 0.00 -0.30 -0.17 -0.44 -2.23 0.00 0.00 178.31 175.17 3k4u h ASP 29 N -0.43 0.00 0.01 0.41 3.45 -1.79 0.20 116.42 118.27 3k4u h ASP 29 Ca 0.01 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.47 3k4u h ASP 29 Cb 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 3k4u h ASP 29 CO -0.07 0.17 -0.00 0.58 -1.57 0.00 0.00 179.24 178.35 3k4u h VAL 30 N 0.00 1.52 -0.84 -1.35 2.07 -1.56 0.74 116.25 116.84 3k4u h VAL 30 Ca -0.00 -1.61 0.09 0.00 0.82 0.00 0.00 66.70 65.99 3k4u h VAL 30 Cb 0.38 2.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.69 3k4u h VAL 30 CO 0.02 0.42 0.49 0.44 0.02 0.00 0.00 177.57 178.96 3k4u h ASP 31 N -0.70 0.73 -0.83 0.57 3.32 -0.95 -1.18 116.42 117.37 3k4u h ASP 31 Ca -0.00 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.16 3k4u h ASP 31 Cb 0.69 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 3k4u h ASP 31 CO 0.00 0.43 0.50 -0.07 -1.72 0.00 0.00 179.24 178.38 3k4u h LEU 32 N 0.85 0.77 -1.17 1.55 4.07 -0.48 -2.07 115.31 118.83 3k4u h LEU 32 Ca 0.39 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 58.30 3k4u h LEU 32 Cb 0.31 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 3k4u h LEU 32 CO -0.22 0.48 -0.36 0.00 -1.08 0.00 0.00 178.44 177.25 3k4u h ALA 33 N 1.41 1.16 -0.10 1.53 0.00 0.15 -3.18 119.26 120.23 3k4u h ALA 33 Ca 0.37 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3k4u h ALA 33 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3k4u h ALA 33 CO -0.19 0.45 -0.28 0.00 0.00 0.00 0.00 179.25 179.23 3k4u h ARG 34 N 0.00 0.37 0.00 0.00 2.47 -0.59 -2.02 114.38 114.60 3k4u h ARG 34 Ca -0.00 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 3k4u h ARG 34 Cb 0.76 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 3k4u h ARG 34 CO 0.05 0.88 0.00 0.39 0.56 0.00 0.00 179.97 181.84 3k4u n GLU 35 N -4.44 0.00 0.00 0.04 -0.58 -0.89 -0.44 120.64 114.32 3k4u n GLU 35 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 3k4u n GLU 35 Cb 0.47 -0.86 0.00 0.00 -0.57 0.00 0.00 31.44 30.48 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 0.03 0.00 -0.05 0.62 0.00 -0.76 0.70 120.51 121.05 3k4u n ALA 37 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3k4u n ALA 37 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.08 -1.84 0.00 3.64 -0.93 0.60 116.57 118.12 3k4u h LYS 38 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3k4u h LYS 38 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3k4u h LYS 38 CO 0.00 0.05 0.00 0.00 -2.27 0.00 0.00 179.45 177.23 3k4u n ALA 39 N -2.34 1.97 -2.72 5.00 0.00 0.22 -4.48 120.51 118.16 3k4u n ALA 39 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 3k4u n ALA 39 Cb 0.11 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.34 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 1.29 -0.19 3.27 0.00 0.00 0.02 -5.22 105.19 104.36 3k4u n GLY 41 Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 0.31 0.09 0.26 1.61 1.01 -0.14 -4.95 120.40 118.60 3k4u s VAL 42 Ca 0.25 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 3k4u s VAL 42 Cb 0.27 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 3k4u s VAL 42 CO -0.13 -0.41 1.14 -0.54 0.00 0.00 0.00 175.10 175.16 3k4u s LYS 43 N -3.27 4.59 -0.01 2.72 1.02 -1.01 -4.24 119.74 119.54 3k4u s LYS 43 Ca -0.00 1.85 -0.21 0.00 0.02 0.00 0.00 55.97 57.64 3k4u s LYS 43 Cb 0.01 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 3k4u s LYS 43 CO -0.08 0.12 0.60 -1.17 -0.92 0.00 0.00 175.35 173.89 3k4u s LEU 44 N -1.23 4.41 -0.01 3.17 2.96 -1.26 -0.27 118.68 126.45 3k4u s LEU 44 Ca 0.46 1.15 0.05 0.00 -0.22 0.00 0.00 54.13 55.58 3k4u s LEU 44 Cb -0.33 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.43 3k4u s LEU 44 CO 0.41 0.09 -0.15 -0.75 -1.32 0.00 0.00 176.35 174.64 3k4u s LYS 45 N -0.15 1.25 -0.06 1.98 2.20 -1.08 -4.92 119.74 118.95 3k4u s LYS 45 Ca 0.31 -0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 55.36 3k4u s LYS 45 Cb -0.18 -1.20 -0.04 0.00 -1.51 0.00 0.00 37.83 34.90 3k4u s LYS 45 CO 0.17 0.31 0.08 -0.51 -0.36 0.00 0.00 175.35 175.04 3k4u s LEU 46 N -0.31 3.97 -0.18 5.43 1.43 -1.26 -1.34 118.68 126.41 3k4u s LEU 46 Ca 0.05 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3k4u s LEU 46 Cb -0.06 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.10 3k4u s LEU 46 CO -0.00 0.35 -0.15 -0.69 0.23 0.00 0.00 176.35 176.08 3k4u s VAL 47 N -1.06 1.83 0.22 -1.59 1.01 0.35 -4.90 120.40 116.26 3k4u s VAL 47 Ca 0.18 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 3k4u s VAL 47 Cb -0.12 -1.76 -0.09 0.00 0.00 0.00 0.00 36.38 34.42 3k4u s VAL 47 CO 0.08 0.36 0.86 -2.84 0.00 0.00 0.00 175.10 173.56 3k4u s PRO 48 N 1.35 4.65 0.04 2.72 0.02 -1.26 -2.69 135.00 139.84 3k4u s PRO 48 Ca 0.02 1.28 -0.17 0.00 0.02 0.00 0.00 61.00 62.15 3k4u s PRO 48 Cb -0.14 -3.16 0.03 0.00 0.02 0.00 0.00 34.50 31.24 3k4u s PRO 48 CO -0.10 0.49 0.39 0.99 -0.33 0.00 0.00 177.00 178.44 3k4u s THR 49 N -1.27 0.06 0.51 0.99 2.01 0.15 -4.90 115.64 113.19 3k4u s THR 49 Ca 0.41 -0.49 -0.20 0.00 0.31 0.00 0.00 61.69 61.72 3k4u s THR 49 Cb -0.23 -0.93 -0.08 0.00 0.01 0.00 0.00 72.50 71.28 3k4u s THR 49 CO 0.28 -0.27 1.05 -0.94 -0.69 0.00 0.00 174.62 174.04 3k4u s SER 50 N -1.96 6.21 0.30 3.53 1.04 -1.26 -3.55 113.70 118.01 3k4u s SER 50 Ca -0.06 1.94 0.05 0.00 0.48 0.00 0.00 55.95 58.36 3k4u s SER 50 Cb -0.01 -2.56 0.82 0.00 0.10 0.00 0.00 66.02 64.37 3k4u s SER 50 CO -0.02 -0.88 1.64 -0.25 0.98 0.00 0.00 173.24 174.71 3k4u h TRP 51 N 1.38 0.43 0.00 5.02 2.91 -1.94 0.45 115.95 124.19 3k4u h TRP 51 Ca -0.49 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.58 3k4u h TRP 51 Cb 1.22 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 3k4u h TRP 51 CO 0.56 -0.24 0.00 -0.40 -1.03 0.00 0.00 178.44 177.33 3k4u n ASP 52 N -5.23 0.00 -0.45 2.65 3.85 -1.26 -2.44 116.55 113.67 3k4u n ASP 52 Ca 0.24 0.27 0.09 0.00 -0.71 0.00 0.00 54.79 54.68 3k4u n ASP 52 Cb 0.78 -0.41 0.01 0.00 -1.35 0.00 0.00 41.12 40.14 3k4u n ASP 52 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3k4u n GLY 53 N 0.77 0.04 0.28 6.12 0.00 0.16 -4.67 105.19 107.88 3k4u n GLY 53 Ca 0.08 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 2.21 -0.59 0.38 0.99 3.38 -1.36 0.13 115.31 120.45 3k4u h LEU 54 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3k4u h LEU 54 Cb 0.64 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3k4u h LEU 54 CO 0.00 -0.38 -0.25 0.40 0.09 0.00 0.00 178.44 178.29 3k4u h ILE 55 N -0.78 0.47 -0.97 1.22 2.04 -1.83 0.46 117.51 118.12 3k4u h ILE 55 Ca -0.07 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.90 3k4u h ILE 55 Cb 0.54 0.47 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 3k4u h ILE 55 CO 0.12 0.00 0.60 -0.65 0.00 0.00 0.00 178.15 178.22 3k4u h PRO 56 N -0.62 0.94 -0.63 2.37 0.11 -1.84 0.87 132.00 133.21 3k4u h PRO 56 Ca -0.04 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 66.10 3k4u h PRO 56 Cb 0.52 -0.21 -0.07 0.00 0.11 0.00 0.00 31.00 31.35 3k4u h PRO 56 CO 0.03 0.62 0.28 0.78 -0.21 0.00 0.00 178.00 179.50 3k4u h GLY 57 N 0.97 0.90 0.48 -0.55 0.00 -0.41 0.26 103.07 104.72 3k4u h GLY 57 Ca 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 3k4u h GLY 57 CO -0.26 0.04 -0.09 -2.00 0.00 0.00 0.00 176.54 174.23 3k4u h LEU 58 N 0.50 -0.22 -1.93 3.11 5.85 0.15 0.29 115.31 123.05 3k4u h LEU 58 Ca 0.31 -0.31 0.16 0.00 0.84 0.00 0.00 57.88 58.88 3k4u h LEU 58 Cb 0.33 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3k4u h LEU 58 CO -0.26 0.27 0.53 0.58 -0.34 0.00 0.00 178.44 179.22 3k4u h VAL 59 N -0.78 0.41 -0.01 1.05 2.07 0.78 0.96 116.25 120.73 3k4u h VAL 59 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3k4u h VAL 59 Cb 0.51 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3k4u h VAL 59 CO 0.04 0.00 -0.66 0.41 0.02 0.00 0.00 177.57 177.39 3k4u n THR 60 N -3.85 0.00 -1.81 2.57 -1.04 0.89 -4.97 114.28 106.06 3k4u n THR 60 Ca 0.11 -0.17 -0.03 0.00 -2.04 0.00 0.00 64.05 61.92 3k4u n THR 60 Cb 0.75 1.14 -0.00 0.00 -1.82 0.00 0.00 70.33 70.39 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 -0.67 -0.23 0.25 -2.82 1.02 0.33 -4.89 120.64 113.63 3k4u n GLU 61 Ca 0.06 0.26 0.08 0.00 -0.02 0.00 0.00 57.16 57.54 3k4u n GLU 61 Cb 0.38 -3.91 0.63 0.00 -0.02 0.00 0.00 31.44 28.52 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 0.00 0.00 -3.62 3.49 6.56 -0.76 -3.46 116.57 118.79 3k4u h LYS 62 Ca -0.07 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.44 3k4u h LYS 62 Cb 0.84 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.42 3k4u h LYS 62 CO 0.08 0.07 -0.06 -0.59 -2.06 0.00 0.00 179.45 176.89 3k4u s PHE 63 N -4.84 0.43 -0.14 -1.35 -0.12 -1.24 -4.97 117.98 105.75 3k4u s PHE 63 Ca -0.05 -0.81 0.14 0.00 -0.05 0.00 0.00 56.93 56.17 3k4u s PHE 63 Cb 0.16 0.25 -0.24 0.00 -0.63 0.00 0.00 43.02 42.57 3k4u s PHE 63 CO 0.66 -1.11 0.30 -0.25 -0.05 0.00 0.00 175.22 174.78 3k4u n ASP 64 N -0.70 0.53 -3.92 1.98 8.00 0.15 -4.67 116.55 117.92 3k4u n ASP 64 Ca -0.02 0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.55 3k4u n ASP 64 Cb 0.61 0.43 -0.10 0.00 -0.02 0.00 0.00 41.12 42.05 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 -2.54 0.12 -0.15 0.53 2.07 -1.10 -4.51 121.20 115.62 3k4u s ILE 65 Ca -0.10 -0.97 -0.04 0.00 -1.41 0.00 0.00 60.65 58.14 3k4u s ILE 65 Cb 0.07 -0.71 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 3k4u s ILE 65 CO 0.81 -0.53 -0.04 -0.63 -1.91 0.00 0.00 174.94 172.64 3k4u s ILE 66 N -2.16 3.91 -0.46 2.00 1.01 -0.06 -2.21 121.20 123.22 3k4u s ILE 66 Ca -0.09 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.25 3k4u s ILE 66 Cb -0.04 -2.71 0.17 0.00 0.01 0.00 0.00 42.46 39.89 3k4u s ILE 66 CO -0.03 0.50 0.37 -0.38 0.00 0.00 0.00 174.94 175.40 3k4u n ILE 67 N 3.49 -0.74 -1.67 2.92 5.41 -1.23 -2.36 119.36 125.19 3k4u n ILE 67 Ca -0.17 -3.67 0.06 0.00 1.00 0.00 0.00 62.75 59.96 3k4u n ILE 67 Cb 0.52 -1.74 0.15 0.00 -0.71 0.00 0.00 39.64 37.86 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 2.66 1.61 -2.11 4.38 7.64 -1.26 -4.71 113.62 121.82 3k4u n SER 68 Ca 0.28 -3.29 0.00 0.00 1.01 0.00 0.00 58.87 56.88 3k4u n SER 68 Cb 0.46 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.83 -5.18 3.16 0.23 0.00 -1.26 -4.93 105.19 96.36 3k4u n GLY 69 Ca 0.15 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.51 1.95 -1.12 2.61 2.01 -1.26 -4.90 115.64 114.42 3k4u s THR 71 Ca 0.00 -0.92 -0.22 0.00 0.31 0.00 0.00 61.69 60.86 3k4u s THR 71 Cb 0.00 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 3k4u s THR 71 CO 0.00 0.53 1.82 -0.63 -0.69 0.00 0.00 174.62 175.65 3k4u s ILE 72 N 0.78 3.71 0.26 1.82 1.01 0.24 -4.89 121.20 124.14 3k4u s ILE 72 Ca -0.09 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.54 3k4u s ILE 72 Cb -0.16 -4.65 -0.05 0.00 0.01 0.00 0.00 42.46 37.61 3k4u s ILE 72 CO -0.00 -1.36 0.48 -0.94 0.00 0.00 0.00 174.94 173.12 3k4u s SER 73 N 6.12 6.40 0.52 3.58 1.04 -1.26 -4.84 113.70 125.25 3k4u s SER 73 Ca 0.62 0.55 0.31 0.00 0.48 0.00 0.00 55.95 57.91 3k4u s SER 73 Cb -0.01 -2.07 1.17 0.00 0.10 0.00 0.00 66.02 65.21 3k4u s SER 73 CO 0.05 -0.14 1.91 1.56 0.98 0.00 0.00 173.24 177.61 3k4u h GLN 74 N 1.71 0.00 0.33 4.02 7.50 -1.97 -0.82 115.11 125.88 3k4u h GLN 74 Ca -0.48 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 58.65 3k4u h GLN 74 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.73 3k4u h GLN 74 CO 0.66 0.05 -0.16 1.49 -1.50 0.00 0.00 178.83 179.37 3k4u h GLU 75 N 0.00 -0.43 -0.86 1.46 4.81 -1.98 -3.21 114.58 114.37 3k4u h GLU 75 Ca -0.00 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3k4u h GLU 75 Cb 0.61 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 3k4u h GLU 75 CO 0.01 -0.19 0.48 0.00 -0.73 0.00 0.00 179.01 178.58 3k4u h ARG 76 N -1.06 1.20 0.00 1.92 3.08 -1.91 -1.35 114.38 116.26 3k4u h ARG 76 Ca -0.05 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3k4u h ARG 76 Cb 0.44 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3k4u h ARG 76 CO 0.07 0.88 0.28 -0.97 -1.07 0.00 0.00 179.97 179.16 3k4u h ASN 77 N 1.20 0.00 0.87 7.04 -0.00 -1.23 0.75 115.58 124.22 3k4u h ASN 77 Ca 0.30 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.57 3k4u h ASN 77 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.34 3k4u h ASN 77 CO -0.05 0.00 -0.18 -0.07 -0.00 0.00 0.00 177.43 177.13 3k4u h LEU 78 N 0.00 0.00 0.00 0.34 3.38 -1.24 -3.35 115.31 114.44 3k4u h LEU 78 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 3k4u h LEU 78 Cb 0.56 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 3k4u h LEU 78 CO 0.00 0.18 -2.37 0.54 0.09 0.00 0.00 178.44 176.88 3k4u n ARG 79 N -3.37 0.74 -4.44 1.13 1.74 0.26 -5.00 116.66 107.71 3k4u n ARG 79 Ca -0.00 0.05 -0.21 0.00 -0.77 0.00 0.00 57.85 56.92 3k4u n ARG 79 Cb 0.39 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.48 1.17 -0.00 1.55 -7.23 -0.92 -4.55 120.40 107.93 3k4u s VAL 80 Ca -0.19 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 57.89 3k4u s VAL 80 Cb 0.07 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 3k4u s VAL 80 CO 0.71 -0.01 0.29 0.20 -0.31 0.00 0.00 175.10 175.98 3k4u s ASN 81 N -3.48 6.55 -0.07 4.85 0.01 -0.79 -4.31 114.94 117.70 3k4u s ASN 81 Ca 0.36 0.64 0.02 0.00 -0.71 0.00 0.00 52.86 53.18 3k4u s ASN 81 Cb 0.09 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.60 3k4u s ASN 81 CO 0.15 0.27 -0.11 -0.36 -1.51 0.00 0.00 177.10 175.55 3k4u s PHE 82 N -1.24 2.81 1.11 2.20 0.08 -1.26 -1.99 117.98 119.68 3k4u s PHE 82 Ca 0.26 -0.17 -0.13 0.00 0.12 0.00 0.00 56.93 57.01 3k4u s PHE 82 Cb -0.14 -1.70 0.25 0.00 -0.57 0.00 0.00 43.02 40.86 3k4u s PHE 82 CO 0.14 0.17 1.05 0.08 -0.10 0.00 0.00 175.22 176.56 3k4u s VAL 83 N -0.55 2.03 0.69 -0.44 1.01 -0.08 -5.01 120.40 118.05 3k4u s VAL 83 Ca 0.08 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 3k4u s VAL 83 Cb -0.12 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3k4u s VAL 83 CO 0.02 -0.01 1.14 -1.61 0.00 0.00 0.00 175.10 174.64 3k4u s GLU 84 N -4.65 2.53 0.19 2.72 0.41 -1.26 -4.51 118.70 114.12 3k4u s GLU 84 Ca 0.67 1.52 -0.31 0.00 -0.41 0.00 0.00 54.97 56.44 3k4u s GLU 84 Cb -0.23 -1.91 -0.10 0.00 -1.78 0.00 0.00 34.13 30.12 3k4u s GLU 84 CO 0.62 -1.48 1.47 -2.14 -0.49 0.00 0.00 175.26 173.24 3k4u s PRO 85 N -4.05 4.27 0.00 0.39 0.02 -1.26 -4.61 135.00 129.76 3k4u s PRO 85 Ca 0.69 2.26 0.22 0.00 0.02 0.00 0.00 61.00 64.19 3k4u s PRO 85 Cb -0.23 -3.16 -0.14 0.00 0.02 0.00 0.00 34.50 30.99 3k4u s PRO 85 CO 0.43 -0.48 0.98 2.48 -0.33 0.00 0.00 177.00 180.07 3k4u n TYR 86 N 3.29 0.00 -3.49 6.54 0.18 -0.54 -4.96 117.16 118.17 3k4u n TYR 86 Ca 0.10 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.74 3k4u n TYR 86 Cb 0.40 -0.01 -0.04 0.00 -0.38 0.00 0.00 39.34 39.31 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 -2.83 0.00 -0.02 -3.48 2.07 -1.24 -5.07 121.20 110.63 3k4u s ILE 87 Ca 0.12 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.42 3k4u s ILE 87 Cb 0.17 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.74 3k4u s ILE 87 CO 0.77 0.00 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.89 3k4u s VAL 88 N -2.16 1.70 0.11 4.00 1.01 -1.26 -1.93 120.40 121.87 3k4u s VAL 88 Ca -0.05 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 3k4u s VAL 88 Cb -0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3k4u s VAL 88 CO 0.00 0.48 0.15 -0.69 0.00 0.00 0.00 175.10 175.04 3k4u s VAL 89 N -0.43 0.13 0.28 2.92 1.01 0.10 -4.99 120.40 119.42 3k4u s VAL 89 Ca 0.06 -1.51 -0.16 0.00 0.00 0.00 0.00 61.98 60.38 3k4u s VAL 89 Cb -0.09 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.64 3k4u s VAL 89 CO -0.00 -0.58 0.61 -0.83 0.00 0.00 0.00 175.10 174.30 3k4u s GLY 90 N -2.94 0.30 -0.20 4.51 0.00 -1.26 -0.45 107.32 107.29 3k4u s GLY 90 Ca 0.13 -0.66 -0.16 0.00 0.00 0.00 0.00 44.72 44.03 3k4u s GLY 90 CO -0.05 -0.39 0.40 1.20 0.00 0.00 0.00 173.10 174.25 3k4u s GLN 91 N -3.79 4.18 0.15 2.90 1.11 -1.26 0.81 119.66 123.76 3k4u s GLN 91 Ca 0.17 0.20 0.02 0.00 0.01 0.00 0.00 55.36 55.77 3k4u s GLN 91 Cb -0.03 -3.53 0.02 0.00 -1.01 0.00 0.00 33.01 28.46 3k4u s GLN 91 CO 0.09 -0.02 0.15 -1.13 0.01 0.00 0.00 175.29 174.40 3k4u n SER 92 N 4.40 1.10 -4.17 5.90 3.41 -0.68 -1.14 113.62 122.45 3k4u n SER 92 Ca -0.08 -1.47 -0.23 0.00 -0.26 0.00 0.00 58.87 56.83 3k4u n SER 92 Cb 0.51 -0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 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 2.12 -0.14 1.04 1.43 -0.97 -2.57 118.68 119.60 3k4u s LEU 93 Ca 0.12 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3k4u s LEU 93 Cb -0.01 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 3k4u s LEU 93 CO 0.07 0.12 -0.09 -0.76 0.23 0.00 0.00 176.35 175.93 3k4u s LEU 94 N -0.90 2.97 0.16 1.79 1.43 0.27 -0.96 118.68 123.45 3k4u s LEU 94 Ca 0.05 -0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.01 3k4u s LEU 94 Cb -0.07 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3k4u s LEU 94 CO 0.01 0.17 -0.19 0.68 0.23 0.00 0.00 176.35 177.25 3k4u s VAL 95 N 0.31 1.90 0.64 -1.59 -7.23 -0.40 0.15 120.40 114.17 3k4u s VAL 95 Ca -0.07 -1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.01 3k4u s VAL 95 Cb -0.15 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 3k4u s VAL 95 CO 0.04 -0.26 1.18 1.17 -0.31 0.00 0.00 175.10 176.92 3k4u n LYS 96 N 0.35 1.03 -2.07 4.82 0.00 -0.57 -1.78 118.16 119.94 3k4u n LYS 96 Ca -0.14 0.40 -0.42 0.00 0.00 0.00 0.00 58.31 58.16 3k4u n LYS 96 Cb 0.57 -2.41 -0.03 0.00 0.00 0.00 0.00 35.03 33.16 3k4u n LYS 96 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3k4u s LYS 97 N -3.18 4.29 0.00 1.64 2.20 -1.25 -3.38 119.74 120.06 3k4u s LYS 97 Ca 0.81 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.64 3k4u s LYS 97 Cb -0.39 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 3k4u s LYS 97 CO 0.42 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 3k4u n GLY 98 N 2.76 2.94 0.00 5.54 0.00 -1.26 -4.89 105.19 110.28 3k4u n GLY 98 Ca 0.09 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.30 3k4u n GLY 98 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3k4u n LEU 99 N 0.00 0.00 0.28 0.99 -0.00 -1.22 -2.95 117.00 114.10 3k4u n LEU 99 Ca 0.00 0.33 0.18 0.00 -0.00 0.00 0.00 56.01 56.52 3k4u n LEU 99 Cb 0.00 -0.33 0.75 0.00 -0.00 0.00 0.00 43.42 43.85 3k4u n LEU 99 CO 0.00 -0.01 1.02 1.05 -0.00 0.00 0.00 177.39 179.44 3k4u h GLU 100 N 0.00 0.00 -6.74 1.47 9.09 -1.90 -3.44 114.58 113.06 3k4u h GLU 100 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 3k4u h GLU 100 Cb 0.31 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 27.48 3k4u h GLU 100 CO 0.00 0.00 0.89 0.15 0.05 0.00 0.00 179.01 180.10 3k4u s LYS 101 N -3.72 4.16 0.00 1.06 -0.14 -1.15 -2.44 119.74 117.50 3k4u s LYS 101 Ca 0.00 2.50 0.00 0.00 -1.36 0.00 0.00 55.97 57.12 3k4u s LYS 101 Cb 0.09 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 33.18 3k4u s LYS 101 CO 0.52 -0.61 0.00 0.41 -0.76 0.00 0.00 175.35 174.91 3k4u n GLY 102 N 2.74 0.10 3.69 -3.33 0.00 -1.26 -4.97 105.19 102.17 3k4u n GLY 102 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.22 4.83 -0.03 1.61 -7.23 -1.02 -4.85 120.40 112.49 3k4u s VAL 103 Ca 0.00 1.93 0.10 0.00 -1.81 0.00 0.00 61.98 62.20 3k4u s VAL 103 Cb 0.00 -4.27 -0.15 0.00 0.56 0.00 0.00 36.38 32.53 3k4u s VAL 103 CO 0.00 0.04 0.18 0.29 -0.31 0.00 0.00 175.10 175.31 3k4u n LYS 104 N 4.83 0.67 -4.13 4.82 4.76 -1.26 -5.02 118.16 122.83 3k4u n LYS 104 Ca 0.07 -0.08 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 3k4u n LYS 104 Cb 0.49 -1.23 -0.10 0.00 -1.84 0.00 0.00 35.03 32.35 3k4u n LYS 104 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3k4u s SER 105 N -3.30 0.66 0.18 4.39 0.15 -1.26 -4.99 113.70 109.53 3k4u s SER 105 Ca -0.04 -1.05 0.23 0.00 0.70 0.00 0.00 55.95 55.79 3k4u s SER 105 Cb 0.06 0.19 0.90 0.00 -1.71 0.00 0.00 66.02 65.45 3k4u s SER 105 CO 0.40 -0.59 1.69 0.00 1.20 0.00 0.00 173.24 175.94 3k4u n TYR 106 N 0.02 0.62 0.49 3.44 4.11 -1.26 -3.26 117.16 121.32 3k4u n TYR 106 Ca -0.12 0.23 0.13 0.00 -0.00 0.00 0.00 57.90 58.14 3k4u n TYR 106 Cb 0.62 -0.87 0.36 0.00 -0.00 0.00 0.00 39.34 39.44 3k4u n TYR 106 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.86 176.64 3k4u h LYS 107 N 0.00 0.00 -1.51 -3.48 3.11 -1.96 -2.69 116.57 110.04 3k4u h LYS 107 Ca 0.00 0.00 -0.70 0.00 -2.81 0.00 0.00 60.65 57.14 3k4u h LYS 107 Cb 0.41 0.00 -0.31 0.00 -1.00 0.00 0.00 32.23 31.34 3k4u h LYS 107 CO 0.00 0.00 0.66 -0.40 -2.81 0.00 0.00 179.45 176.90 3k4u n ASP 108 N -2.52 7.08 0.00 4.20 5.68 -1.20 -2.75 116.55 127.03 3k4u n ASP 108 Ca 0.05 -3.80 0.00 0.00 -0.50 0.00 0.00 54.79 50.53 3k4u n ASP 108 Cb 0.44 -0.91 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 3k4u n ASP 108 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k4u n LEU 109 N -0.67 0.42 -2.72 -2.12 4.32 -1.01 -4.83 117.00 110.39 3k4u n LEU 109 Ca 0.55 -0.42 -0.34 0.00 -0.02 0.00 0.00 56.01 55.78 3k4u n LEU 109 Cb 0.48 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.27 3k4u n LEU 109 CO 0.58 0.11 1.57 -0.67 -1.22 0.00 0.00 177.39 177.76 3k4u n ASP 110 N -0.09 7.01 -4.75 -1.43 2.03 -1.11 -4.76 116.55 113.45 3k4u n ASP 110 Ca 0.00 -3.52 -0.32 0.00 0.52 0.00 0.00 54.79 51.46 3k4u n ASP 110 Cb 0.39 -1.15 -0.07 0.00 -0.72 0.00 0.00 41.12 39.57 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 -2.89 2.96 0.51 -0.67 -0.14 -1.26 -4.16 119.74 114.09 3k4u s LYS 111 Ca 0.55 -0.55 0.20 0.00 -1.36 0.00 0.00 55.97 54.81 3k4u s LYS 111 Cb 0.41 -2.79 1.30 0.00 -1.68 0.00 0.00 37.83 35.07 3k4u s LYS 111 CO -0.32 0.63 2.10 -1.35 -0.76 0.00 0.00 175.35 175.65 3k4u h PRO 112 N 4.05 0.00 -0.50 -1.68 0.11 -1.91 -3.03 132.00 129.05 3k4u h PRO 112 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3k4u h PRO 112 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3k4u h PRO 112 CO 0.61 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.88 3k4u n GLU 113 N -4.19 1.85 -4.83 1.05 4.71 -1.26 -4.35 120.64 113.62 3k4u n GLU 113 Ca -0.03 -0.93 -0.29 0.00 -0.01 0.00 0.00 57.16 55.90 3k4u n GLU 113 Cb 0.17 -1.42 -0.14 0.00 -1.01 0.00 0.00 31.44 29.03 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 -0.96 2.18 -0.09 -4.62 1.43 -1.16 -5.02 118.68 110.45 3k4u s LEU 114 Ca 0.17 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 3k4u s LEU 114 Cb 0.11 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 45.08 3k4u s LEU 114 CO 0.09 0.24 -0.22 -0.89 0.23 0.00 0.00 176.35 175.79 3k4u s THR 115 N -0.83 1.91 -0.10 5.49 2.01 -1.26 0.06 115.64 122.93 3k4u s THR 115 Ca 0.11 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.20 3k4u s THR 115 Cb -0.10 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 3k4u s THR 115 CO 0.02 0.53 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.06 3k4u s LEU 116 N 0.34 2.32 -0.07 4.42 2.96 -0.45 -2.74 118.68 125.46 3k4u s LEU 116 Ca -0.17 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.32 3k4u s LEU 116 Cb -0.17 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.05 3k4u s LEU 116 CO 0.08 0.19 -0.17 0.68 -1.32 0.00 0.00 176.35 175.81 3k4u s VAL 117 N 0.20 1.46 0.11 1.68 -7.23 -1.26 -1.48 120.40 113.87 3k4u s VAL 117 Ca -0.12 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 3k4u s VAL 117 Cb -0.16 -1.28 -0.00 0.00 0.56 0.00 0.00 36.38 35.49 3k4u s VAL 117 CO 0.07 0.42 0.04 0.35 -0.31 0.00 0.00 175.10 175.67 3k4u n THR 118 N 3.55 0.00 -2.86 5.32 -2.24 -1.20 -2.57 114.28 114.28 3k4u n THR 118 Ca -0.21 -0.62 -0.34 0.00 -2.27 0.00 0.00 64.05 60.61 3k4u n THR 118 Cb 0.52 0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.91 3k4u n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3k4u s LYS 119 N -2.40 4.32 0.22 -0.78 2.20 -1.26 -1.63 119.74 120.41 3k4u s LYS 119 Ca 0.06 1.12 -0.30 0.00 -0.36 0.00 0.00 55.97 56.49 3k4u s LYS 119 Cb 0.00 -2.46 -0.09 0.00 -1.51 0.00 0.00 37.83 33.78 3k4u s LYS 119 CO 0.04 0.12 1.20 0.12 -0.36 0.00 0.00 175.35 176.47 3k4u s PHE 120 N -1.93 3.40 0.00 4.03 5.36 0.25 -4.14 117.98 124.95 3k4u s PHE 120 Ca 0.56 1.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.99 3k4u s PHE 120 Cb -0.13 -3.44 0.00 0.00 -0.34 0.00 0.00 43.02 39.11 3k4u s PHE 120 CO 0.17 -1.20 0.00 0.41 -1.46 0.00 0.00 175.22 173.15 3k4u n GLY 121 N 1.85 0.65 3.38 13.12 0.00 -1.26 -4.97 105.19 117.96 3k4u n GLY 121 Ca 0.03 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.04 1.06 0.17 1.61 1.01 -1.26 -4.96 120.40 115.99 3k4u s VAL 122 Ca 0.00 -2.02 -0.18 0.00 0.00 0.00 0.00 61.98 59.78 3k4u s VAL 122 Cb 0.00 -2.58 0.09 0.00 0.00 0.00 0.00 36.38 33.90 3k4u s VAL 122 CO 0.00 -0.14 1.65 0.28 0.00 0.00 0.00 175.10 176.89 3k4u h SER 123 N 2.30 -0.49 -0.64 3.32 0.02 -1.96 -1.96 113.55 114.15 3k4u h SER 123 Ca -0.39 0.13 0.08 0.00 -0.84 0.00 0.00 61.79 60.76 3k4u h SER 123 Cb 1.24 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 64.03 3k4u h SER 123 CO 0.66 -0.17 0.42 0.00 -1.14 0.00 0.00 176.83 176.60 3k4u h ALA 124 N 1.29 1.85 -0.33 3.77 0.00 -1.91 0.26 119.26 124.18 3k4u h ALA 124 Ca 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k4u h ALA 124 Cb 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3k4u h ALA 124 CO -0.43 0.04 0.19 1.49 0.00 0.00 0.00 179.25 180.53 3k4u h GLU 125 N 0.57 0.46 -0.36 0.00 4.81 -1.59 0.32 114.58 118.79 3k4u h GLU 125 Ca 0.28 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 3k4u h GLU 125 Cb 0.36 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3k4u h GLU 125 CO -0.09 0.37 -0.16 1.88 -0.73 0.00 0.00 179.01 180.28 3k4u h TYR 126 N 0.42 0.85 -0.80 0.92 -1.99 -0.81 -0.56 116.97 114.99 3k4u h TYR 126 Ca 0.12 -0.21 0.16 0.00 2.00 0.00 0.00 58.73 60.79 3k4u h TYR 126 Cb 0.04 -0.20 -0.10 0.00 2.00 0.00 0.00 36.73 38.48 3k4u h TYR 126 CO -0.03 0.93 0.35 0.00 -0.00 0.00 0.00 178.16 179.41 3k4u h ALA 127 N 0.79 1.17 -0.06 3.88 0.00 -0.44 -1.94 119.26 122.66 3k4u h ALA 127 Ca 0.08 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3k4u h ALA 127 Cb 0.70 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3k4u h ALA 127 CO 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 179.25 179.11 3k4u h ALA 128 N 1.58 0.07 0.00 0.00 0.00 0.11 0.66 119.26 121.68 3k4u h ALA 128 Ca 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3k4u h ALA 128 Cb 0.70 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3k4u h ALA 128 CO -0.41 -0.28 -0.11 0.87 0.00 0.00 0.00 179.25 179.32 3k4u h LYS 129 N -0.16 0.00 0.14 0.00 1.57 -1.09 0.20 116.57 117.23 3k4u h LYS 129 Ca 0.02 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.45 3k4u h LYS 129 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3k4u h LYS 129 CO 0.00 0.11 -1.85 -0.09 -0.57 0.00 0.00 179.45 177.05 3k4u h ARG 130 N 0.00 0.29 -0.14 3.15 2.43 -1.06 -3.40 114.38 115.64 3k4u h ARG 130 Ca -0.00 -0.49 -0.19 0.00 -0.81 0.00 0.00 59.98 58.49 3k4u h ARG 130 Cb 0.41 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3k4u h ARG 130 CO 0.01 1.24 -0.67 -0.07 -1.51 0.00 0.00 179.97 178.97 3k4u h LEU 131 N -0.00 0.67 0.00 3.80 4.07 0.42 -3.46 115.31 120.80 3k4u h LEU 131 Ca -0.39 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.16 3k4u h LEU 131 Cb 2.00 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 43.54 3k4u h LEU 131 CO 0.10 1.15 0.00 0.49 -1.08 0.00 0.00 178.44 179.10 3k4u n PHE 132 N -3.91 0.00 -0.98 1.13 3.72 0.05 -4.99 117.46 112.48 3k4u n PHE 132 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3k4u n PHE 132 Cb 0.68 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 3k4u n PHE 132 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 3k4u n LYS 133 N -1.47 -0.03 -0.00 -1.08 2.85 -1.26 -4.64 118.16 112.53 3k4u n LYS 133 Ca 0.00 0.01 -0.01 0.00 -1.05 0.00 0.00 58.31 57.26 3k4u n LYS 133 Cb 0.00 -2.72 -0.00 0.00 -0.65 0.00 0.00 35.03 31.65 3k4u n LYS 133 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3k4u n ASN 134 N -0.01 0.29 -4.77 -5.58 3.02 -1.26 -5.06 115.26 101.89 3k4u n ASN 134 Ca 0.00 0.01 -0.39 0.00 -0.03 0.00 0.00 54.58 54.17 3k4u n ASN 134 Cb 0.01 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 -2.02 3.19 0.30 5.41 0.00 -1.15 -4.15 121.76 123.35 3k4u s ALA 135 Ca -0.01 1.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 3k4u s ALA 135 Cb 0.00 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 3k4u s ALA 135 CO 0.02 -0.92 1.27 0.15 0.00 0.00 0.00 175.76 176.28 3k4u s LYS 136 N -2.38 4.41 -0.14 0.00 1.02 0.11 -4.90 119.74 117.86 3k4u s LYS 136 Ca 0.59 2.13 0.02 0.00 0.02 0.00 0.00 55.97 58.73 3k4u s LYS 136 Cb -0.38 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3k4u s LYS 136 CO 0.49 -0.13 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.42 3k4u s LEU 137 N -1.48 2.00 0.09 3.17 2.96 -1.26 -1.34 118.68 122.82 3k4u s LEU 137 Ca 0.49 -0.57 0.09 0.00 -0.22 0.00 0.00 54.13 53.93 3k4u s LEU 137 Cb -0.38 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3k4u s LEU 137 CO 0.49 0.05 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.79 3k4u s LYS 138 N 0.96 1.70 0.17 1.98 1.02 -0.55 -4.97 119.74 120.05 3k4u s LYS 138 Ca -0.05 -1.19 0.08 0.00 0.02 0.00 0.00 55.97 54.83 3k4u s LYS 138 Cb -0.15 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 3k4u s LYS 138 CO -0.04 0.49 -0.16 0.95 -0.92 0.00 0.00 175.35 175.67 3k4u s THR 139 N -0.99 1.71 0.24 2.17 -4.23 -1.26 -3.24 115.64 110.04 3k4u s THR 139 Ca 0.14 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.71 3k4u s THR 139 Cb -0.10 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 3k4u s THR 139 CO 0.06 -0.44 0.20 -1.22 -0.54 0.00 0.00 174.62 172.68 3k4u n TYR 140 N 0.07 -0.57 0.69 3.99 4.01 -0.65 -4.81 117.16 119.90 3k4u n TYR 140 Ca -0.12 -2.04 0.12 0.00 -0.16 0.00 0.00 57.90 55.70 3k4u n TYR 140 Cb 0.58 0.21 0.14 0.00 -0.31 0.00 0.00 39.34 39.96 3k4u n TYR 140 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3k4u n ASP 141 N -2.04 0.63 -3.94 7.72 8.00 -1.26 0.86 116.55 126.52 3k4u n ASP 141 Ca 0.05 -0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.36 3k4u n ASP 141 Cb 0.44 0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.86 3k4u n ASP 141 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3k4u s THR 142 N -3.13 0.09 0.20 -3.53 -4.23 -1.26 -4.83 115.64 98.95 3k4u s THR 142 Ca 0.07 -1.37 -0.09 0.00 -1.18 0.00 0.00 61.69 59.12 3k4u s THR 142 Cb 0.15 -1.70 0.12 0.00 1.34 0.00 0.00 72.50 72.40 3k4u s THR 142 CO 0.74 -0.43 1.73 -0.33 -0.54 0.00 0.00 174.62 175.80 3k4u h GLU 143 N 2.64 1.10 0.10 3.99 3.07 -1.92 -3.06 114.58 120.49 3k4u h GLU 143 Ca -0.33 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.29 3k4u h GLU 143 Cb 1.22 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 3k4u h GLU 143 CO 0.52 0.94 -0.05 0.00 -1.40 0.00 0.00 179.01 179.02 3k4u h ALA 144 N 1.10 -0.13 -0.68 3.43 0.00 -1.96 -2.21 119.26 118.81 3k4u h ALA 144 Ca 0.23 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.12 3k4u h ALA 144 Cb 0.30 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.04 3k4u h ALA 144 CO -0.01 -0.42 0.07 0.93 0.00 0.00 0.00 179.25 179.82 3k4u h GLU 145 N -0.44 0.16 -0.18 0.00 5.08 -1.96 -2.56 114.58 114.68 3k4u h GLU 145 Ca -0.01 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3k4u h GLU 145 Cb 0.37 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3k4u h GLU 145 CO 0.02 0.11 0.01 0.00 -1.00 0.00 0.00 179.01 178.15 3k4u h ALA 146 N 1.60 0.24 0.00 3.43 0.00 -1.38 -2.70 119.26 120.45 3k4u h ALA 146 Ca 0.37 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3k4u h ALA 146 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3k4u h ALA 146 CO -0.55 -0.06 -0.29 0.28 0.00 0.00 0.00 179.25 178.64 3k4u h VAL 147 N 0.07 1.03 -0.95 0.00 2.07 -1.29 -2.38 116.25 114.81 3k4u h VAL 147 Ca 0.05 -1.04 0.14 0.00 0.82 0.00 0.00 66.70 66.67 3k4u h VAL 147 Cb 0.36 1.59 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 3k4u h VAL 147 CO 0.01 0.28 0.60 -0.61 0.02 0.00 0.00 177.57 177.87 3k4u h GLN 148 N 0.00 0.78 -0.28 1.57 5.75 -1.13 -1.21 115.11 120.60 3k4u h GLN 148 Ca -0.00 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.52 3k4u h GLN 148 Cb 0.57 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 3k4u h GLN 148 CO 0.04 0.52 0.20 0.93 -2.65 0.00 0.00 178.83 177.87 3k4u h GLU 149 N 0.81 0.04 0.07 1.69 4.39 -1.31 0.86 114.58 121.12 3k4u h GLU 149 Ca 0.48 -0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.84 3k4u h GLU 149 Cb 0.66 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 3k4u h GLU 149 CO -0.25 0.03 -1.92 1.55 -1.16 0.00 0.00 179.01 177.26 3k4u n VAL 150 N -4.46 1.66 -0.34 3.13 3.14 -0.55 0.17 118.33 121.08 3k4u n VAL 150 Ca 0.04 -0.46 0.25 0.00 -2.96 0.00 0.00 64.34 61.21 3k4u n VAL 150 Cb 0.33 -1.78 0.54 0.00 -1.06 0.00 0.00 33.84 31.87 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 -0.31 0.39 -2.45 6.55 3.38 -1.19 -2.34 115.31 119.35 3k4u h LEU 151 Ca -0.45 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3k4u h LEU 151 Cb 1.79 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.57 3k4u h LEU 151 CO -0.06 0.05 0.00 -0.46 0.09 0.00 0.00 178.44 178.06 3k4u n ASN 152 N -4.60 3.33 0.00 -0.43 0.23 0.28 -4.95 115.26 109.12 3k4u n ASN 152 Ca 0.27 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.37 3k4u n ASN 152 Cb 0.97 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 38.39 3k4u n ASN 152 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k4u n GLY 153 N 1.26 0.74 0.09 4.83 0.00 -0.88 -4.96 105.19 106.27 3k4u n GLY 153 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3k4u n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k4u h LYS 154 N 4.07 0.19 -6.11 1.61 1.57 0.12 -3.46 116.57 114.56 3k4u h LYS 154 Ca 0.00 -0.32 -0.61 0.00 -1.87 0.00 0.00 60.65 57.85 3k4u h LYS 154 Cb 0.00 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 32.29 3k4u h LYS 154 CO 0.00 1.15 -0.72 0.00 -0.57 0.00 0.00 179.45 179.31 3k4u s ALA 155 N -2.67 2.87 -0.21 3.86 0.00 0.45 -4.92 121.76 121.13 3k4u s ALA 155 Ca -0.03 -1.94 0.20 0.00 0.00 0.00 0.00 51.96 50.19 3k4u s ALA 155 Cb 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 3k4u s ALA 155 CO 0.86 0.20 1.07 -0.44 0.00 0.00 0.00 175.76 177.45 3k4u h ASP 156 N 2.14 0.00 -2.98 0.00 3.32 -1.82 -3.36 116.42 113.72 3k4u h ASP 156 Ca -0.41 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.71 3k4u h ASP 156 Cb 1.26 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.55 3k4u h ASP 156 CO 0.64 0.22 0.35 0.12 -1.72 0.00 0.00 179.24 178.85 3k4u s PHE 158 N -3.18 -0.61 -0.04 4.55 5.36 0.12 -1.51 117.98 122.68 3k4u s PHE 158 Ca -0.00 1.33 0.06 0.00 -0.96 0.00 0.00 56.93 57.36 3k4u s PHE 158 Cb 0.09 0.38 -0.02 0.00 -0.34 0.00 0.00 43.02 43.13 3k4u s PHE 158 CO 0.78 -0.30 -0.23 -1.50 -1.46 0.00 0.00 175.22 172.51 3k4u s ILE 159 N 0.83 2.24 0.14 3.12 2.07 -1.06 0.96 121.20 129.51 3k4u s ILE 159 Ca -0.03 -1.02 -0.25 0.00 -1.41 0.00 0.00 60.65 57.94 3k4u s ILE 159 Cb -0.04 -1.81 0.08 0.00 0.13 0.00 0.00 42.46 40.81 3k4u s ILE 159 CO -0.11 0.58 1.04 0.12 -1.91 0.00 0.00 174.94 174.66 3k4u s PHE 160 N -0.44 -0.04 0.29 3.50 5.36 -1.06 -4.54 117.98 121.06 3k4u s PHE 160 Ca 0.05 -0.28 -0.29 0.00 -0.96 0.00 0.00 56.93 55.45 3k4u s PHE 160 Cb -0.12 0.65 -0.14 0.00 -0.34 0.00 0.00 43.02 43.08 3k4u s PHE 160 CO 0.01 -0.79 1.14 -0.25 -1.46 0.00 0.00 175.22 173.87 3k4u n ASP 161 N -0.78 1.86 -0.32 6.13 10.43 -1.26 -1.69 116.55 130.92 3k4u n ASP 161 Ca -0.05 1.18 0.16 0.00 2.57 0.00 0.00 54.79 58.65 3k4u n ASP 161 Cb 0.60 -1.35 0.39 0.00 1.84 0.00 0.00 41.12 42.61 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 2.48 0.65 -0.03 0.64 6.46 0.07 -1.74 115.31 123.84 3k4u h LEU 162 Ca -0.42 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 3k4u h LEU 162 Cb 1.32 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 3k4u h LEU 162 CO 0.63 0.23 0.00 -2.65 -0.62 0.00 0.00 178.44 176.03 3k4u n PRO 163 N -4.68 0.09 0.11 5.25 -0.02 -1.26 -2.11 135.00 132.38 3k4u n PRO 163 Ca 0.23 0.10 -0.21 0.00 -2.02 0.00 0.00 63.50 61.60 3k4u n PRO 163 Cb 0.64 -1.61 -0.14 0.00 -0.02 0.00 0.00 33.50 32.38 3k4u n PRO 163 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3k4u h PHE 164 N 0.00 0.85 -0.70 6.00 3.57 -1.38 -2.90 116.94 122.39 3k4u h PHE 164 Ca 0.00 -0.58 -0.02 0.00 3.53 0.00 0.00 57.97 60.90 3k4u h PHE 164 Cb 0.55 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3k4u h PHE 164 CO 0.00 1.44 0.35 -0.91 -2.23 0.00 0.00 178.31 176.96 3k4u h ASN 165 N 0.18 0.90 1.08 0.41 2.35 -1.33 -0.90 115.58 118.27 3k4u h ASN 165 Ca -0.19 -0.12 -0.19 0.00 -0.55 0.00 0.00 56.30 55.25 3k4u h ASN 165 Cb 2.00 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 40.11 3k4u h ASN 165 CO 0.24 0.77 -0.93 1.62 -1.65 0.00 0.00 177.43 177.48 3k4u h VAL 166 N 0.97 1.46 -0.35 2.81 3.04 -1.53 -2.89 116.25 119.75 3k4u h VAL 166 Ca 0.24 -3.09 -0.01 0.00 -1.01 0.00 0.00 66.70 62.83 3k4u h VAL 166 Cb 0.09 2.72 -0.02 0.00 -2.01 0.00 0.00 31.29 32.07 3k4u h VAL 166 CO -0.03 0.83 0.17 0.00 -1.01 0.00 0.00 177.57 177.52 3k4u h ALA 167 N 1.12 0.46 0.00 3.17 0.00 -1.40 -3.06 119.26 119.55 3k4u h ALA 167 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3k4u h ALA 167 Cb 1.69 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3k4u h ALA 167 CO 0.11 0.02 0.00 0.34 0.00 0.00 0.00 179.25 179.73 3k4u n PHE 168 N -4.73 0.00 0.00 0.00 7.35 -0.35 -2.31 117.46 117.43 3k4u n PHE 168 Ca -0.01 -0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 3k4u n PHE 168 Cb 0.11 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 39.79 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 0.97 0.00 0.01 3.13 0.00 -1.16 -1.21 120.51 122.24 3k4u n ALA 170 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3k4u n ALA 170 Cb 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.43 3k4u n ALA 170 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3k4u h GLN 171 N 0.00 0.15 0.00 0.00 3.07 -1.77 -3.46 115.11 113.11 3k4u h GLN 171 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 58.65 58.48 3k4u h GLN 171 Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.66 3k4u h GLN 171 CO 0.00 0.90 0.00 1.63 0.09 0.00 0.00 178.83 181.45 3k4u n LYS 172 N -3.30 0.00 0.19 0.06 5.02 -0.45 -4.95 118.16 114.73 3k4u n LYS 172 Ca -0.23 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.14 3k4u n LYS 172 Cb 1.05 -0.40 0.21 0.00 -0.02 0.00 0.00 35.03 35.87 3k4u n LYS 172 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3k4u h GLY 173 N 0.00 0.00 -0.27 0.72 0.00 -1.48 -3.39 103.07 98.65 3k4u h GLY 173 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3k4u h GLY 173 CO 0.00 0.00 -0.36 -1.61 0.00 0.00 0.00 176.54 174.57 3k4u h GLN 174 N 0.00 -0.25 -0.24 4.80 5.75 -1.85 -0.80 115.11 122.53 3k4u h GLN 174 Ca -0.00 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3k4u h GLN 174 Cb 1.07 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 3k4u h GLN 174 CO 0.03 -0.17 0.15 0.78 -2.65 0.00 0.00 178.83 176.97 3k4u h GLY 175 N -0.26 0.33 0.00 2.39 0.00 -2.00 -3.37 103.07 100.16 3k4u h GLY 175 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3k4u h GLY 175 CO -0.58 0.11 -1.35 -1.72 0.00 0.00 0.00 176.54 173.00 3k4u n TYR 176 N -4.94 0.00 -4.58 5.60 4.01 -0.90 -5.00 117.16 111.35 3k4u n TYR 176 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.44 3k4u n TYR 176 Cb 0.04 -0.23 -0.11 0.00 -0.31 0.00 0.00 39.34 38.73 3k4u n TYR 176 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k4u s LEU 177 N -3.58 2.84 -0.04 7.72 1.02 -0.35 -3.86 118.68 122.42 3k4u s LEU 177 Ca -0.02 -1.30 0.02 0.00 0.02 0.00 0.00 54.13 52.84 3k4u s LEU 177 Cb 0.10 -0.95 0.01 0.00 0.02 0.00 0.00 46.19 45.37 3k4u s LEU 177 CO 0.58 -0.37 -0.07 -0.69 0.02 0.00 0.00 176.35 175.83 3k4u s VAL 178 N -2.67 0.66 -0.33 -1.59 1.01 -0.73 -4.73 120.40 112.01 3k4u s VAL 178 Ca 0.34 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 3k4u s VAL 178 Cb 0.07 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 3k4u s VAL 178 CO 0.18 0.24 0.34 -2.28 0.00 0.00 0.00 175.10 173.57 3k4u s HIS 179 N 0.64 3.22 -0.81 5.22 2.46 -1.26 -1.28 115.29 123.47 3k4u s HIS 179 Ca -0.09 0.01 -0.17 0.00 0.47 0.00 0.00 55.06 55.28 3k4u s HIS 179 Cb -0.13 -2.62 0.17 0.00 -0.13 0.00 0.00 32.58 29.87 3k4u s HIS 179 CO 0.01 -0.39 0.87 -0.51 -2.47 0.00 0.00 174.74 172.25 3k4u s LEU 180 N 1.97 5.93 0.14 8.88 1.43 -0.13 -4.92 118.68 131.98 3k4u s LEU 180 Ca 0.11 -2.22 0.26 0.00 -1.03 0.00 0.00 54.13 51.25 3k4u s LEU 180 Cb -0.17 -2.29 0.74 0.00 0.03 0.00 0.00 46.19 44.50 3k4u s LEU 180 CO 0.11 -0.84 1.66 -0.90 0.23 0.00 0.00 176.35 176.61 3k4u n ASP 181 N 5.30 0.64 -4.69 2.29 3.85 -1.26 -2.29 116.55 120.40 3k4u n ASP 181 Ca 0.12 0.40 -0.63 0.00 -0.71 0.00 0.00 54.79 53.97 3k4u n ASP 181 Cb 0.47 -0.45 -0.09 0.00 -1.35 0.00 0.00 41.12 39.70 3k4u n ASP 181 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 3k4u n THR 182 N -2.06 0.08 -2.44 2.12 -1.04 -1.26 -4.71 114.28 104.97 3k4u n THR 182 Ca 0.05 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.66 3k4u n THR 182 Cb 0.41 -0.62 -0.04 0.00 -1.82 0.00 0.00 70.33 68.26 3k4u n THR 182 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3k4u s SER 183 N 2.44 7.00 0.00 8.00 0.15 -1.26 -4.41 113.70 125.62 3k4u s SER 183 Ca 0.99 2.25 0.05 0.00 0.70 0.00 0.00 55.95 59.95 3k4u s SER 183 Cb -1.31 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 60.36 3k4u s SER 183 CO 0.71 -0.33 0.38 0.18 1.20 0.00 0.00 173.24 175.38 3k4u n LEU 184 N 0.70 0.67 -3.92 3.45 4.77 -0.29 -4.91 117.00 117.48 3k4u n LEU 184 Ca 0.01 -0.67 -0.09 0.00 -0.03 0.00 0.00 56.01 55.23 3k4u n LEU 184 Cb 0.46 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3k4u n LEU 184 CO 0.52 0.15 -0.17 0.42 -1.33 0.00 0.00 177.39 176.97 3k4u s THR 185 N -1.13 0.15 -0.38 -5.08 -4.23 -1.26 -4.88 115.64 98.83 3k4u s THR 185 Ca 0.04 -1.24 -0.10 0.00 -1.18 0.00 0.00 61.69 59.20 3k4u s THR 185 Cb 0.04 -1.21 0.04 0.00 1.34 0.00 0.00 72.50 72.71 3k4u s THR 185 CO 0.16 -0.69 0.21 -0.47 -0.54 0.00 0.00 174.62 173.30 3k4u s TYR 186 N -3.41 3.27 -0.34 3.99 5.04 -1.26 -4.09 117.35 120.54 3k4u s TYR 186 Ca 0.02 -1.15 0.00 0.00 -2.44 0.00 0.00 57.07 53.51 3k4u s TYR 186 Cb 0.03 -2.56 0.11 0.00 0.35 0.00 0.00 41.96 39.89 3k4u s TYR 186 CO -0.08 -0.71 0.11 -1.21 -1.34 0.00 0.00 175.55 172.32 3k4u s GLU 187 N 1.51 0.92 0.27 4.97 2.02 0.40 -5.01 118.70 123.79 3k4u s GLU 187 Ca 0.02 -1.35 -0.29 0.00 0.02 0.00 0.00 54.97 53.36 3k4u s GLU 187 Cb -0.20 -2.23 -0.09 0.00 0.10 0.00 0.00 34.13 31.71 3k4u s GLU 187 CO 0.05 -1.01 1.01 -1.25 0.02 0.00 0.00 175.26 174.08 3k4u s PRO 188 N 1.29 4.72 -0.15 0.39 0.04 -1.26 0.00 135.00 140.04 3k4u s PRO 188 Ca 0.11 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 62.70 3k4u s PRO 188 Cb -0.19 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 3k4u s PRO 188 CO -0.18 0.35 0.02 -0.51 0.04 0.00 0.00 177.00 176.72 3k4u s LEU 189 N -1.42 3.60 0.28 -3.56 1.02 -0.81 -0.59 118.68 117.20 3k4u s LEU 189 Ca 0.44 0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.66 3k4u s LEU 189 Cb -0.27 -1.87 -0.06 0.00 0.02 0.00 0.00 46.19 44.01 3k4u s LEU 189 CO 0.35 0.24 0.08 -0.83 0.02 0.00 0.00 176.35 176.20 3k4u s GLY 190 N -0.02 1.84 0.23 -3.19 0.00 -1.26 -1.47 107.32 103.44 3k4u s GLY 190 Ca 0.04 -1.93 -0.28 0.00 0.00 0.00 0.00 44.72 42.55 3k4u s GLY 190 CO 0.02 -1.68 0.90 -0.98 0.00 0.00 0.00 173.10 171.36 3k4u s TRP 191 N -3.57 3.93 0.09 1.90 0.51 -1.26 -4.79 118.94 115.74 3k4u s TRP 191 Ca 0.37 1.83 0.05 0.00 -2.12 0.00 0.00 56.10 56.23 3k4u s TRP 191 Cb 0.08 -2.92 -0.04 0.00 -0.81 0.00 0.00 33.47 29.78 3k4u s TRP 191 CO 0.14 0.44 -0.01 0.00 -0.51 0.00 0.00 176.95 177.01 3k4u s ALA 192 N -1.23 3.25 0.09 0.98 0.00 -0.99 -0.91 121.76 122.95 3k4u s ALA 192 Ca 0.41 -1.12 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 3k4u s ALA 192 Cb -0.24 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 3k4u s ALA 192 CO 0.30 0.69 0.19 0.96 0.00 0.00 0.00 175.76 177.90 3k4u s ILE 193 N -1.28 0.14 0.47 0.00 -4.36 -0.84 -0.88 121.20 114.43 3k4u s ILE 193 Ca 0.25 -1.19 -0.15 0.00 -0.26 0.00 0.00 60.65 59.30 3k4u s ILE 193 Cb -0.12 -1.37 -0.08 0.00 1.25 0.00 0.00 42.46 42.15 3k4u s ILE 193 CO 0.17 -0.63 0.90 -1.59 0.24 0.00 0.00 174.94 174.03 3k4u s LYS 194 N -3.87 3.91 1.24 0.37 -2.85 -1.26 -1.89 119.74 115.40 3k4u s LYS 194 Ca 0.06 0.80 -0.14 0.00 -1.00 0.00 0.00 55.97 55.68 3k4u s LYS 194 Cb 0.05 -2.23 0.32 0.00 -2.06 0.00 0.00 37.83 33.90 3k4u s LYS 194 CO -0.10 -0.16 0.99 1.63 0.10 0.00 0.00 175.35 177.81 3k4u n LYS 195 N -1.37 -2.99 -1.05 1.78 5.02 -1.26 -4.01 118.16 114.27 3k4u n LYS 195 Ca 0.05 -0.85 -0.02 0.00 -2.02 0.00 0.00 58.31 55.47 3k4u n LYS 195 Cb 0.54 -2.12 -0.01 0.00 -0.02 0.00 0.00 35.03 33.42 3k4u n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4u n GLY 196 N 1.18 0.54 2.48 0.72 0.00 -1.26 -4.98 105.19 103.88 3k4u n GLY 196 Ca 0.03 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 1.07 0.59 0.21 1.61 4.64 -1.26 -4.96 116.55 118.45 3k4u n ASP 197 Ca -0.02 -2.66 0.07 0.00 -1.38 0.00 0.00 54.79 50.80 3k4u n ASP 197 Cb 0.08 -0.61 0.43 0.00 -1.04 0.00 0.00 41.12 39.98 3k4u n ASP 197 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3k4u h PRO 198 N 5.29 0.00 -0.28 -0.67 0.13 -1.93 -3.10 132.00 131.44 3k4u h PRO 198 Ca 0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 3k4u h PRO 198 Cb 0.86 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 3k4u h PRO 198 CO 0.48 0.31 -0.09 -0.44 -0.23 0.00 0.00 178.00 178.04 3k4u h ASP 199 N 0.00 0.44 -0.03 1.44 3.32 -2.00 -1.22 116.42 118.36 3k4u h ASP 199 Ca -0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3k4u h ASP 199 Cb 0.72 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 3k4u h ASP 199 CO 0.04 0.57 -0.04 0.15 -1.72 0.00 0.00 179.24 178.24 3k4u h PHE 200 N 0.43 0.11 -0.39 4.55 3.57 -1.97 -2.60 116.94 120.64 3k4u h PHE 200 Ca 0.09 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.61 3k4u h PHE 200 Cb 0.42 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 3k4u h PHE 200 CO 0.01 0.59 0.08 -0.07 -2.23 0.00 0.00 178.31 176.69 3k4u h LEU 201 N -0.40 0.02 -0.34 0.59 3.38 -1.46 0.47 115.31 117.57 3k4u h LEU 201 Ca 0.00 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3k4u h LEU 201 Cb 0.57 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 3k4u h LEU 201 CO 0.01 0.05 -0.44 -1.13 0.09 0.00 0.00 178.44 177.02 3k4u h ASN 202 N 0.21 -1.44 -0.53 -0.43 -0.73 -1.25 -0.22 115.58 111.19 3k4u h ASN 202 Ca 0.19 0.21 0.03 0.00 1.87 0.00 0.00 56.30 58.60 3k4u h ASN 202 Cb 0.22 0.62 -0.04 0.00 0.27 0.00 0.00 38.32 39.38 3k4u h ASN 202 CO -0.24 -0.39 0.30 -0.25 -0.37 0.00 0.00 177.43 176.49 3k4u h TRP 203 N -0.37 0.57 -0.43 0.67 7.01 -0.51 -2.26 115.95 120.62 3k4u h TRP 203 Ca 0.12 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 3k4u h TRP 203 Cb 0.60 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.46 3k4u h TRP 203 CO -0.60 0.31 0.26 -0.07 -2.79 0.00 0.00 178.44 175.55 3k4u h LEU 204 N 0.60 0.52 0.10 0.65 4.07 0.58 -1.44 115.31 120.39 3k4u h LEU 204 Ca 0.22 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 3k4u h LEU 204 Cb 0.06 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.67 3k4u h LEU 204 CO -0.11 0.43 -0.05 0.78 -1.08 0.00 0.00 178.44 178.40 3k4u h ASN 205 N 0.57 -0.11 -0.15 -0.43 2.35 -0.85 -1.04 115.58 115.92 3k4u h ASN 205 Ca 0.15 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3k4u h ASN 205 Cb 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3k4u h ASN 205 CO -0.03 -0.07 0.09 0.45 -1.65 0.00 0.00 177.43 176.22 3k4u h HIS 206 N -0.14 0.17 -0.03 1.19 3.86 -1.39 0.24 115.15 119.07 3k4u h HIS 206 Ca -0.01 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3k4u h HIS 206 Cb 0.11 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 3k4u h HIS 206 CO -0.07 0.11 0.13 0.35 0.86 0.00 0.00 177.93 179.31 3k4u h PHE 207 N 0.19 0.00 0.00 2.45 3.57 -1.11 0.21 116.94 122.25 3k4u h PHE 207 Ca 0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3k4u h PHE 207 Cb -0.01 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 3k4u h PHE 207 CO -0.07 0.00 -0.05 1.25 -2.23 0.00 0.00 178.31 177.21 3k4u h LEU 208 N 0.00 0.00 -0.70 0.59 5.85 0.27 -3.18 115.31 118.14 3k4u h LEU 208 Ca 0.01 -0.61 0.15 0.00 0.84 0.00 0.00 57.88 58.27 3k4u h LEU 208 Cb 0.28 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.18 3k4u h LEU 208 CO -0.00 0.83 -0.10 0.00 -0.34 0.00 0.00 178.44 178.83 3k4u h ALA 209 N -0.39 0.56 -0.00 1.25 0.00 -0.10 -1.17 119.26 119.42 3k4u h ALA 209 Ca -0.01 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3k4u h ALA 209 Cb 0.64 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3k4u h ALA 209 CO -0.01 -0.42 -0.04 1.96 0.00 0.00 0.00 179.25 180.74 3k4u h GLN 210 N 0.04 -0.05 -0.73 0.00 1.08 -0.75 -2.32 115.11 112.38 3k4u h GLN 210 Ca 0.35 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.69 3k4u h GLN 210 Cb 0.57 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.96 3k4u h GLN 210 CO -0.68 -0.03 0.48 -0.84 -0.95 0.00 0.00 178.83 176.81 3k4u h ILE 211 N -0.05 0.84 0.00 2.54 3.07 -1.43 0.50 117.51 122.97 3k4u h ILE 211 Ca 0.00 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 66.25 3k4u h ILE 211 Cb 0.05 0.34 0.00 0.00 -0.27 0.00 0.00 36.82 36.94 3k4u h ILE 211 CO -0.03 0.08 0.00 0.11 -1.05 0.00 0.00 178.15 177.27 3k4u h LYS 212 N 0.46 0.00 -0.00 0.16 1.57 -0.89 -2.42 116.57 115.45 3k4u h LYS 212 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3k4u h LYS 212 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3k4u h LYS 212 CO -0.11 0.00 -0.07 0.72 -0.57 0.00 0.00 179.45 179.42 3k4u n HIS 213 N -2.60 0.00 0.23 -1.35 8.25 0.15 -4.61 115.22 115.30 3k4u n HIS 213 Ca -0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 3k4u n HIS 213 Cb 0.17 0.00 0.44 0.00 1.12 0.00 0.00 29.99 31.73 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 0.37 0.00 0.00 0.41 5.19 -0.66 -3.48 116.42 118.26 3k4u h ASP 214 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3k4u h ASP 214 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 3k4u h ASP 214 CO 0.00 0.13 0.00 0.61 -3.12 0.00 0.00 179.24 176.86 3k4u n GLY 215 N 0.39 2.20 0.11 2.75 0.00 -1.24 -4.93 105.19 104.47 3k4u n GLY 215 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 0.27 -0.43 1.61 0.02 -1.89 -2.82 113.55 110.31 3k4u h SER 216 Ca 0.00 -0.58 0.02 0.00 -0.84 0.00 0.00 61.79 60.39 3k4u h SER 216 Cb 0.00 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3k4u h SER 216 CO 0.00 0.81 0.24 0.22 -1.14 0.00 0.00 176.83 176.96 3k4u h TYR 217 N -0.25 0.45 -0.16 3.45 3.20 -1.79 -2.55 116.97 119.31 3k4u h TYR 217 Ca -0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3k4u h TYR 217 Cb 0.77 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3k4u h TYR 217 CO 0.12 0.25 -0.24 -0.44 -1.64 0.00 0.00 178.16 176.20 3k4u h ASP 218 N 0.48 0.28 0.22 -2.11 3.45 -1.79 0.65 116.42 117.61 3k4u h ASP 218 Ca 0.18 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 3k4u h ASP 218 Cb 0.04 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3k4u h ASP 218 CO -0.10 0.53 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.67 3k4u h GLU 219 N 0.26 -0.29 -0.56 3.56 5.08 -1.35 -1.21 114.58 120.07 3k4u h GLU 219 Ca 0.04 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3k4u h GLU 219 Cb 0.58 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3k4u h GLU 219 CO 0.04 -0.07 0.25 -0.07 -1.00 0.00 0.00 179.01 178.16 3k4u h LEU 220 N -0.46 0.72 -0.98 1.33 3.38 -1.12 -0.11 115.31 118.07 3k4u h LEU 220 Ca -0.03 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3k4u h LEU 220 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3k4u h LEU 220 CO 0.05 0.63 -0.39 0.22 0.09 0.00 0.00 178.44 179.04 3k4u h TYR 221 N 0.79 0.28 -0.37 1.13 3.20 -0.83 -1.86 116.97 119.31 3k4u h TYR 221 Ca 0.19 -0.07 -0.17 0.00 3.14 0.00 0.00 58.73 61.83 3k4u h TYR 221 Cb 0.11 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 3k4u h TYR 221 CO 0.01 0.59 -0.42 1.49 -1.64 0.00 0.00 178.16 178.20 3k4u h GLU 222 N 0.20 0.93 -0.66 1.82 4.57 0.09 -2.38 114.58 119.15 3k4u h GLU 222 Ca 0.02 -0.51 -0.04 0.00 -1.18 0.00 0.00 59.36 57.65 3k4u h GLU 222 Cb 0.78 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 3k4u h GLU 222 CO 0.06 1.16 0.25 -0.09 -1.18 0.00 0.00 179.01 179.21 3k4u h ARG 223 N 0.75 0.99 0.00 1.92 2.43 -0.49 -0.33 114.38 119.65 3k4u h ARG 223 Ca 0.05 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3k4u h ARG 223 Cb 1.01 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3k4u h ARG 223 CO 0.10 0.84 -1.34 0.91 -1.51 0.00 0.00 179.97 178.97 3k4u n TRP 224 N -4.39 0.00 0.00 2.20 7.02 -0.76 -4.08 117.44 117.43 3k4u n TRP 224 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 3k4u n TRP 224 Cb 0.18 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 28.86 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 -1.78 0.00 -0.03 -5.99 3.72 -0.90 -4.77 117.46 107.71 3k4u n PHE 225 Ca -0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 3k4u n PHE 225 Cb 0.38 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 3k4u n PHE 225 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3k4u n VAL 226 N -1.30 0.34 -1.63 -4.37 3.14 -1.04 -5.04 118.33 108.42 3k4u n VAL 226 Ca 0.00 -0.10 -0.31 0.00 -2.96 0.00 0.00 64.34 60.97 3k4u n VAL 226 Cb 0.00 -1.22 0.04 0.00 -1.06 0.00 0.00 33.84 31.60 3k4u n VAL 226 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3k4u s ASP 227 N -5.15 5.54 0.00 6.55 -1.08 -0.16 -5.00 116.67 117.37 3k4u s ASP 227 Ca -0.08 1.59 0.00 0.00 -0.52 0.00 0.00 52.55 53.53 3k4u s ASP 227 Cb 0.03 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 3k4u s ASP 227 CO 0.12 -1.34 0.32 0.35 0.52 0.00 0.00 175.17 175.14 3k4u n THR 228 N -3.04 0.00 -0.05 1.71 -2.24 -1.26 -4.70 114.28 104.69 3k4u n THR 228 Ca 0.07 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.43 3k4u n THR 228 Cb 0.54 1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 70.04 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 0.08 -1.32 -0.78 3.64 -1.94 -2.95 116.57 113.29 3k4u h LYS 229 Ca 0.00 -0.00 0.38 0.00 -1.27 0.00 0.00 60.65 59.76 3k4u h LYS 229 Cb 0.15 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 3k4u h LYS 229 CO 0.00 0.05 0.98 0.11 -2.27 0.00 0.00 179.45 178.32 3k4u h TRP 230 N 0.08 0.00 -0.44 1.91 5.08 -1.85 -2.72 115.95 118.01 3k4u h TRP 230 Ca 0.10 0.00 0.12 0.00 1.08 0.00 0.00 58.89 60.19 3k4u h TRP 230 Cb 0.13 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.27 3k4u h TRP 230 CO -0.18 0.00 0.31 -0.07 -1.28 0.00 0.00 178.44 177.22 3k4u h LEU 231 N 0.00 0.05 -7.91 0.11 4.07 -1.88 -2.84 115.31 106.90 3k4u h LEU 231 Ca 0.63 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 58.01 3k4u h LEU 231 Cb 2.58 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 44.24 3k4u h LEU 231 CO -0.01 0.03 1.84 -1.61 -1.08 0.00 0.00 178.44 177.61 3k4u s GLU 232 N -5.08 3.54 0.00 1.13 2.02 -1.03 -5.12 118.70 114.17 3k4u s GLU 232 Ca -0.05 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.24 3k4u s GLU 232 Cb 0.19 -5.44 0.00 0.00 0.10 0.00 0.00 34.13 28.98 3k4u s GLU 232 CO 0.72 -2.73 0.00 1.63 0.02 0.00 0.00 175.26 174.90