#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4u n ARG 2 N 0.00 0.58 0.00 1.47 0.63 -1.26 -4.96 116.66 113.13 3k4u n ARG 2 Ca 0.00 -3.11 0.00 0.00 -0.92 0.00 0.00 57.85 53.82 3k4u n ARG 2 Cb 0.00 1.79 0.00 0.00 0.45 0.00 0.00 32.46 34.70 3k4u n ARG 2 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k4u n GLY 3 N -0.52 2.10 3.50 5.14 0.00 -1.26 -4.96 105.19 109.18 3k4u n GLY 3 Ca -0.04 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 1.36 -0.40 1.61 -1.05 -1.26 -4.48 118.70 114.47 3k4u s GLU 4 Ca 0.00 -0.59 -0.09 0.00 -0.15 0.00 0.00 54.97 54.14 3k4u s GLU 4 Cb 0.00 0.58 0.07 0.00 -0.44 0.00 0.00 34.13 34.34 3k4u s GLU 4 CO 0.00 -0.60 0.23 -1.17 0.95 0.00 0.00 175.26 174.67 3k4u s LEU 5 N -2.79 5.01 -0.14 1.83 2.96 -0.33 -4.97 118.68 120.25 3k4u s LEU 5 Ca 0.03 -1.42 -0.18 0.00 -0.22 0.00 0.00 54.13 52.34 3k4u s LEU 5 Cb -0.02 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 3k4u s LEU 5 CO -0.09 -0.50 0.47 -0.13 -1.32 0.00 0.00 176.35 174.79 3k4u s ARG 6 N 1.43 4.31 -0.11 1.98 0.52 -1.26 -0.96 118.95 124.86 3k4u s ARG 6 Ca 0.02 0.42 0.03 0.00 -0.52 0.00 0.00 55.73 55.68 3k4u s ARG 6 Cb -0.22 -3.46 0.01 0.00 0.52 0.00 0.00 34.95 31.80 3k4u s ARG 6 CO 0.02 0.11 -0.21 0.08 0.02 0.00 0.00 175.30 175.32 3k4u s VAL 7 N 0.80 1.89 -0.24 3.52 1.01 0.08 -1.26 120.40 126.20 3k4u s VAL 7 Ca 0.25 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 3k4u s VAL 7 Cb -0.15 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 3k4u s VAL 7 CO 0.10 0.52 0.17 -0.83 0.00 0.00 0.00 175.10 175.06 3k4u s GLY 8 N 0.57 1.99 0.19 4.51 0.00 -0.70 0.10 107.32 113.99 3k4u s GLY 8 Ca -0.14 -0.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.59 3k4u s GLY 8 CO 0.04 0.41 0.40 0.48 0.00 0.00 0.00 173.10 174.43 3k4u s LEU 9 N 1.05 0.56 -0.27 0.66 0.05 -1.23 -2.62 118.68 116.88 3k4u s LEU 9 Ca 0.08 -0.76 0.02 0.00 0.05 0.00 0.00 54.13 53.53 3k4u s LEU 9 Cb -0.13 1.60 0.07 0.00 -2.05 0.00 0.00 46.19 45.68 3k4u s LEU 9 CO 0.04 -0.99 -0.05 -0.70 -0.55 0.00 0.00 176.35 174.10 3k4u s GLU 10 N -3.95 1.84 0.16 1.48 2.12 -1.25 -0.50 118.70 118.60 3k4u s GLU 10 Ca 0.16 -1.30 -0.34 0.00 0.36 0.00 0.00 54.97 53.84 3k4u s GLU 10 Cb 0.01 -2.80 -0.15 0.00 0.26 0.00 0.00 34.13 31.45 3k4u s GLU 10 CO 0.01 -0.66 1.47 -2.30 -0.54 0.00 0.00 175.26 173.23 3k4u n PRO 11 N 4.50 1.83 0.00 4.30 -0.02 -1.26 -4.04 135.00 140.32 3k4u n PRO 11 Ca -0.10 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3k4u n PRO 11 Cb 0.43 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 2.90 1.14 3.29 -1.23 0.00 -0.78 -4.88 105.19 105.62 3k4u n GLY 12 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3k4u n GLY 12 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3k4u n TYR 13 N 0.00 4.41 -1.72 1.61 -0.00 -0.82 -4.84 117.16 115.80 3k4u n TYR 13 Ca 0.00 -3.28 -0.43 0.00 -0.00 0.00 0.00 57.90 54.19 3k4u n TYR 13 Cb 0.00 -1.99 -0.02 0.00 -0.00 0.00 0.00 39.34 37.33 3k4u n TYR 13 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3k4u n LEU 14 N 4.46 3.86 -1.56 2.98 4.32 -1.24 0.11 117.00 129.93 3k4u n LEU 14 Ca 0.35 1.16 -0.04 0.00 -0.02 0.00 0.00 56.01 57.45 3k4u n LEU 14 Cb 0.40 -1.53 0.19 0.00 -1.62 0.00 0.00 43.42 40.87 3k4u n LEU 14 CO 0.65 -0.13 0.80 -0.81 -1.22 0.00 0.00 177.39 176.68 3k4u n PRO 15 N 1.87 2.74 -0.07 3.23 -0.04 -1.26 -2.80 135.00 138.67 3k4u n PRO 15 Ca 0.09 -1.96 -0.15 0.00 -0.04 0.00 0.00 63.50 61.43 3k4u n PRO 15 Cb 0.35 -1.88 -0.13 0.00 -0.04 0.00 0.00 33.50 31.80 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 1.69 0.03 -4.26 0.54 0.04 0.45 -1.99 116.94 113.44 3k4u h PHE 16 Ca 0.18 -0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.79 3k4u h PHE 16 Cb 1.78 -0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.78 3k4u h PHE 16 CO 0.84 1.07 -0.67 -1.21 -0.60 0.00 0.00 178.31 177.74 3k4u s GLU 17 N -2.25 0.71 -0.13 1.51 8.01 -0.90 -1.53 118.70 124.13 3k4u s GLU 17 Ca -0.20 -1.28 -0.03 0.00 0.01 0.00 0.00 54.97 53.46 3k4u s GLU 17 Cb -0.02 0.19 -0.03 0.00 -4.31 0.00 0.00 34.13 29.96 3k4u s GLU 17 CO 0.69 -0.14 -0.00 0.15 0.01 0.00 0.00 175.26 175.96 3k4u s LYS 19 N -3.95 3.40 0.07 1.61 1.02 -1.26 -1.86 119.74 118.77 3k4u s LYS 19 Ca 0.12 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.67 3k4u s LYS 19 Cb 0.08 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 3k4u s LYS 19 CO -0.07 0.46 0.04 -0.40 -0.92 0.00 0.00 175.35 174.46 3k4u n ASP 20 N 2.88 1.51 -0.37 2.83 5.75 -1.03 -4.95 116.55 123.17 3k4u n ASP 20 Ca -0.18 -1.26 -0.09 0.00 -0.01 0.00 0.00 54.79 53.26 3k4u n ASP 20 Cb 0.53 0.01 -0.07 0.00 -1.03 0.00 0.00 41.12 40.56 3k4u n ASP 20 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3k4u n LYS 21 N -0.52 -0.37 0.00 0.11 5.02 -0.82 0.17 118.16 121.75 3k4u n LYS 21 Ca -0.01 1.36 0.14 0.00 -2.02 0.00 0.00 58.31 57.79 3k4u n LYS 21 Cb 0.08 -2.01 0.69 0.00 -0.02 0.00 0.00 35.03 33.78 3k4u n LYS 21 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3k4u n LYS 22 N -5.16 0.28 -0.06 1.97 4.81 -1.26 -4.92 118.16 113.83 3k4u n LYS 22 Ca 0.03 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3k4u n LYS 22 Cb 0.25 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.80 3k4u n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k4u n GLY 23 N 1.37 0.46 3.80 3.14 0.00 0.13 -5.08 105.19 109.00 3k4u n GLY 23 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.77 4.75 -0.17 1.61 0.01 -1.26 -4.66 114.94 112.45 3k4u s ASN 24 Ca 0.00 1.49 -0.08 0.00 -0.71 0.00 0.00 52.86 53.56 3k4u s ASN 24 Cb 0.00 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 3k4u s ASN 24 CO 0.00 -1.83 0.10 0.54 -1.51 0.00 0.00 177.10 174.40 3k4u s VAL 25 N -3.07 5.15 0.24 1.60 0.11 -1.26 -2.46 120.40 120.71 3k4u s VAL 25 Ca 0.60 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.75 3k4u s VAL 25 Cb -0.15 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.35 3k4u s VAL 25 CO 0.55 0.49 0.13 0.27 -3.33 0.00 0.00 175.10 173.21 3k4u s ILE 26 N 0.01 0.24 0.00 7.04 -4.36 -1.26 -4.97 121.20 117.89 3k4u s ILE 26 Ca 0.08 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 3k4u s ILE 26 Cb -0.12 -2.55 0.00 0.00 1.25 0.00 0.00 42.46 41.05 3k4u s ILE 26 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 3k4u n GLY 27 N -0.40 4.42 0.24 6.27 0.00 -1.26 -4.23 105.19 110.23 3k4u n GLY 27 Ca 0.02 -1.48 0.01 0.00 0.00 0.00 0.00 46.02 44.56 3k4u n GLY 27 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3k4u n PHE 28 N -2.00 0.09 -0.26 1.61 7.35 -0.75 -0.29 117.46 123.22 3k4u n PHE 28 Ca 0.00 0.80 -0.07 0.00 -0.76 0.00 0.00 57.45 57.41 3k4u n PHE 28 Cb 0.00 -0.79 0.05 0.00 0.35 0.00 0.00 39.48 39.09 3k4u n PHE 28 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3k4u h ASP 29 N 0.00 1.07 0.34 -2.13 3.45 -1.51 -0.47 116.42 117.17 3k4u h ASP 29 Ca 0.25 -0.22 -0.03 0.00 0.43 0.00 0.00 57.03 57.46 3k4u h ASP 29 Cb 0.41 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3k4u h ASP 29 CO -0.65 1.01 -0.15 0.58 -1.57 0.00 0.00 179.24 178.46 3k4u h VAL 30 N 1.07 0.71 0.01 -1.35 2.07 -0.76 0.34 116.25 118.33 3k4u h VAL 30 Ca 0.23 -0.60 -0.25 0.00 0.82 0.00 0.00 66.70 66.90 3k4u h VAL 30 Cb 0.34 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3k4u h VAL 30 CO -0.00 0.14 -1.29 0.44 0.02 0.00 0.00 177.57 176.88 3k4u h ASP 31 N 0.00 0.04 -0.10 0.57 5.19 -0.36 -1.13 116.42 120.63 3k4u h ASP 31 Ca -0.00 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 3k4u h ASP 31 Cb 0.35 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 3k4u h ASP 31 CO 0.02 1.04 0.04 -0.07 -3.12 0.00 0.00 179.24 177.15 3k4u h LEU 32 N 0.01 0.14 -1.38 1.55 4.07 -0.42 -2.47 115.31 116.80 3k4u h LEU 32 Ca -0.12 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.63 3k4u h LEU 32 Cb 1.88 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 43.56 3k4u h LEU 32 CO 0.12 0.28 0.05 0.00 -1.08 0.00 0.00 178.44 177.80 3k4u h ALA 33 N 0.87 1.51 -0.03 1.53 0.00 -0.28 -2.79 119.26 120.06 3k4u h ALA 33 Ca 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3k4u h ALA 33 Cb 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k4u h ALA 33 CO -0.00 0.36 0.01 -0.09 0.00 0.00 0.00 179.25 179.53 3k4u h ARG 34 N 0.45 0.06 -1.78 0.00 2.43 -1.12 -1.90 114.38 112.51 3k4u h ARG 34 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3k4u h ARG 34 Cb 0.22 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3k4u h ARG 34 CO 0.00 0.30 0.00 0.39 -1.51 0.00 0.00 179.97 179.15 3k4u n GLU 35 N -4.93 0.33 0.00 0.20 -0.58 -0.94 -2.49 120.64 112.23 3k4u n GLU 35 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3k4u n GLU 35 Cb 0.16 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.18 0.00 0.23 0.62 0.00 -0.72 -1.29 120.51 120.53 3k4u n ALA 37 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3k4u n ALA 37 Cb 0.16 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.00 3k4u n ALA 37 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3k4u h LYS 38 N 0.00 0.00 -1.22 0.00 6.56 -1.69 -2.32 116.57 117.90 3k4u h LYS 38 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3k4u h LYS 38 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3k4u h LYS 38 CO 0.00 0.10 0.00 0.00 -2.06 0.00 0.00 179.45 177.49 3k4u n ALA 39 N -2.14 2.11 -2.74 3.86 0.00 -0.41 -4.70 120.51 116.49 3k4u n ALA 39 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 3k4u n ALA 39 Cb 0.45 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.94 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 0.58 -0.40 3.59 0.00 0.00 -0.90 -5.23 105.19 102.83 3k4u n GLY 41 Ca 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 3k4u n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k4u s VAL 42 N 0.72 0.00 0.47 1.61 0.11 -1.03 -4.93 120.40 117.35 3k4u s VAL 42 Ca 0.30 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.22 3k4u s VAL 42 Cb 0.15 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.93 3k4u s VAL 42 CO -0.16 0.00 0.89 -0.54 -3.33 0.00 0.00 175.10 171.95 3k4u s LYS 43 N -1.67 3.86 -0.12 1.54 1.02 -1.26 -4.39 119.74 118.72 3k4u s LYS 43 Ca 0.05 0.73 -0.00 0.00 0.02 0.00 0.00 55.97 56.76 3k4u s LYS 43 Cb -0.01 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 3k4u s LYS 43 CO -0.04 -0.17 -0.12 -1.17 -0.92 0.00 0.00 175.35 172.94 3k4u s LEU 44 N -3.99 2.81 -0.05 3.17 2.96 -1.26 -1.18 118.68 121.13 3k4u s LEU 44 Ca 0.55 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.23 3k4u s LEU 44 Cb -0.10 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 3k4u s LEU 44 CO 0.32 0.19 -0.16 -0.75 -1.32 0.00 0.00 176.35 174.63 3k4u s LYS 45 N 0.21 2.54 -0.10 1.98 2.20 -0.13 -4.95 119.74 121.48 3k4u s LYS 45 Ca -0.07 -0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 54.78 3k4u s LYS 45 Cb -0.15 -2.35 -0.03 0.00 -1.51 0.00 0.00 37.83 33.79 3k4u s LYS 45 CO 0.05 0.57 0.00 -0.51 -0.36 0.00 0.00 175.35 175.10 3k4u s LEU 46 N -0.59 3.57 -0.56 5.43 1.43 -1.26 -0.74 118.68 125.95 3k4u s LEU 46 Ca 0.09 0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 3k4u s LEU 46 Cb -0.11 -1.82 0.21 0.00 0.03 0.00 0.00 46.19 44.50 3k4u s LEU 46 CO 0.01 0.35 0.54 0.52 0.23 0.00 0.00 176.35 178.01 3k4u n VAL 47 N 2.32 0.80 -1.62 -1.59 0.31 0.29 -4.85 118.33 113.97 3k4u n VAL 47 Ca -0.18 -4.50 -0.47 0.00 -0.01 0.00 0.00 64.34 59.17 3k4u n VAL 47 Cb 0.53 -2.01 -0.03 0.00 -0.91 0.00 0.00 33.84 31.43 3k4u n VAL 47 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3k4u n PRO 48 N 1.70 1.60 -3.78 5.55 -0.02 -1.26 -3.52 135.00 135.27 3k4u n PRO 48 Ca 0.25 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 62.17 3k4u n PRO 48 Cb 0.43 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 3k4u n PRO 48 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3k4u s THR 49 N -0.12 0.03 0.48 3.45 2.01 0.35 -4.90 115.64 116.95 3k4u s THR 49 Ca 0.71 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.22 3k4u s THR 49 Cb -0.75 -0.50 -0.08 0.00 0.01 0.00 0.00 72.50 71.18 3k4u s THR 49 CO 0.51 -0.15 1.08 -0.94 -0.69 0.00 0.00 174.62 174.43 3k4u s SER 50 N -0.64 6.22 0.29 3.53 1.04 -1.26 -3.87 113.70 119.01 3k4u s SER 50 Ca -0.07 2.07 0.02 0.00 0.48 0.00 0.00 55.95 58.45 3k4u s SER 50 Cb -0.04 -2.58 0.72 0.00 0.10 0.00 0.00 66.02 64.22 3k4u s SER 50 CO 0.02 -0.87 1.64 -0.25 0.98 0.00 0.00 173.24 174.76 3k4u h TRP 51 N 1.69 0.34 0.00 5.02 2.91 -1.96 -2.02 115.95 121.94 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 1.23 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.87 3k4u h TRP 51 CO 0.55 -0.22 0.00 -0.40 -1.03 0.00 0.00 178.44 177.34 3k4u n ASP 52 N -5.23 0.00 -1.13 2.65 3.85 -1.26 -1.90 116.55 113.52 3k4u n ASP 52 Ca 0.22 0.03 0.08 0.00 -0.71 0.00 0.00 54.79 54.41 3k4u n ASP 52 Cb 0.69 -0.31 0.27 0.00 -1.35 0.00 0.00 41.12 40.42 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 0.66 3.12 0.09 6.12 0.00 -0.76 -4.57 105.19 109.85 3k4u n GLY 53 Ca 0.10 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 2.87 -0.06 -0.16 0.99 3.38 -1.46 -2.43 115.31 118.44 3k4u h LEU 54 Ca 0.00 -0.59 -0.13 0.00 0.09 0.00 0.00 57.88 57.26 3k4u h LEU 54 Cb 1.25 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3k4u h LEU 54 CO 0.17 0.64 -0.39 0.40 0.09 0.00 0.00 178.44 179.35 3k4u h ILE 55 N -0.85 1.35 -0.01 1.22 2.04 -1.82 -2.15 117.51 117.28 3k4u h ILE 55 Ca -0.01 -1.65 0.03 0.00 1.00 0.00 0.00 64.86 64.24 3k4u h ILE 55 Cb 0.65 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 3k4u h ILE 55 CO 0.01 0.50 -0.38 -0.65 0.00 0.00 0.00 178.15 177.63 3k4u h PRO 56 N 0.19 -0.51 -0.86 2.37 0.11 -1.81 -0.84 132.00 130.65 3k4u h PRO 56 Ca -0.00 0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.24 3k4u h PRO 56 Cb 1.00 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 3k4u h PRO 56 CO 0.08 -0.34 0.56 0.78 -0.21 0.00 0.00 178.00 178.87 3k4u h GLY 57 N -0.53 1.21 0.71 -0.55 0.00 -1.42 0.17 103.07 102.66 3k4u h GLY 57 Ca 0.06 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.07 3k4u h GLY 57 CO -0.30 0.19 -0.07 -2.00 0.00 0.00 0.00 176.54 174.35 3k4u h LEU 58 N 0.82 -0.23 -1.29 3.11 5.85 -1.05 1.09 115.31 123.61 3k4u h LEU 58 Ca 0.40 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 59.09 3k4u h LEU 58 Cb 0.44 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3k4u h LEU 58 CO -0.17 -0.10 -0.35 0.58 -0.34 0.00 0.00 178.44 178.06 3k4u h VAL 59 N -0.09 1.24 -0.15 1.05 2.07 0.43 -1.22 116.25 119.58 3k4u h VAL 59 Ca 0.06 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3k4u h VAL 59 Cb 0.17 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3k4u h VAL 59 CO -0.13 0.35 0.00 0.41 0.02 0.00 0.00 177.57 178.21 3k4u n THR 60 N -4.10 0.19 -2.35 2.57 -1.04 0.42 -4.92 114.28 105.06 3k4u n THR 60 Ca -0.02 -0.29 -0.20 0.00 -2.04 0.00 0.00 64.05 61.50 3k4u n THR 60 Cb 0.39 0.24 -0.01 0.00 -1.82 0.00 0.00 70.33 69.12 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 0.13 -1.75 -0.00 -2.82 1.02 -0.46 -4.89 120.64 111.87 3k4u n GLU 61 Ca 0.15 0.96 -0.05 0.00 -0.02 0.00 0.00 57.16 58.20 3k4u n GLU 61 Cb 0.27 -5.60 0.16 0.00 -0.02 0.00 0.00 31.44 26.25 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 0.53 0.00 3.49 6.56 0.99 -3.46 116.57 124.68 3k4u h LYS 62 Ca -0.46 -0.23 -0.11 0.00 -1.06 0.00 0.00 60.65 58.79 3k4u h LYS 62 Cb 1.34 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.95 3k4u h LYS 62 CO 0.55 0.78 -0.11 1.97 -2.06 0.00 0.00 179.45 180.58 3k4u n PHE 63 N -4.08 -0.23 0.15 -1.35 1.16 -1.23 -4.99 117.46 106.88 3k4u n PHE 63 Ca -0.01 -0.68 0.02 0.00 -1.87 0.00 0.00 57.45 54.91 3k4u n PHE 63 Cb 0.45 0.08 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 3k4u n PHE 63 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 3k4u n ASP 64 N -2.64 0.80 -3.62 5.98 8.00 -0.39 -4.70 116.55 119.98 3k4u n ASP 64 Ca 0.02 -0.90 -0.03 0.00 0.71 0.00 0.00 54.79 54.58 3k4u n ASP 64 Cb 0.15 0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 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 -0.73 0.00 -0.13 0.53 2.07 -1.25 -4.60 121.20 117.10 3k4u s ILE 65 Ca 0.03 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.28 3k4u s ILE 65 Cb 0.03 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.63 3k4u s ILE 65 CO 0.08 0.00 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.31 3k4u s ILE 66 N -1.63 1.68 -0.50 2.00 1.01 -0.72 -1.72 121.20 121.32 3k4u s ILE 66 Ca 0.09 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.07 3k4u s ILE 66 Cb -0.01 -1.53 0.23 0.00 0.01 0.00 0.00 42.46 41.17 3k4u s ILE 66 CO -0.05 0.48 0.56 -0.38 0.00 0.00 0.00 174.94 175.55 3k4u n ILE 67 N 4.33 0.39 -1.58 2.92 5.41 -1.08 -3.13 119.36 126.63 3k4u n ILE 67 Ca -0.19 -4.39 0.07 0.00 1.00 0.00 0.00 62.75 59.24 3k4u n ILE 67 Cb 0.51 -1.98 0.17 0.00 -0.71 0.00 0.00 39.64 37.62 3k4u n ILE 67 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3k4u n SER 68 N 1.48 1.73 -2.20 4.38 2.88 -1.26 -4.77 113.62 115.85 3k4u n SER 68 Ca 0.25 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 54.34 3k4u n SER 68 Cb 0.47 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3k4u n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k4u n GLY 69 N -0.99 -5.60 3.02 0.46 0.00 -1.26 -4.89 105.19 95.92 3k4u n GLY 69 Ca 0.16 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.56 0.58 -0.75 2.61 2.01 -1.26 -4.88 115.64 113.40 3k4u s THR 71 Ca 0.00 -0.53 -0.23 0.00 0.31 0.00 0.00 61.69 61.24 3k4u s THR 71 Cb 0.00 -0.53 0.07 0.00 0.01 0.00 0.00 72.50 72.05 3k4u s THR 71 CO 0.00 0.02 1.09 -0.63 -0.69 0.00 0.00 174.62 174.40 3k4u s ILE 72 N -0.49 4.25 -0.01 1.82 1.01 -0.46 -4.83 121.20 122.49 3k4u s ILE 72 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3k4u s ILE 72 Cb -0.05 -4.77 -0.03 0.00 0.01 0.00 0.00 42.46 37.62 3k4u s ILE 72 CO 0.00 -1.58 -0.03 -0.94 0.00 0.00 0.00 174.94 172.40 3k4u s SER 73 N 3.79 4.91 0.38 3.58 1.04 -1.26 -4.82 113.70 121.33 3k4u s SER 73 Ca 0.28 -0.06 0.10 0.00 0.48 0.00 0.00 55.95 56.76 3k4u s SER 73 Cb -0.12 -1.24 0.88 0.00 0.10 0.00 0.00 66.02 65.64 3k4u s SER 73 CO 0.06 0.29 1.92 1.56 0.98 0.00 0.00 173.24 178.05 3k4u h GLN 74 N 4.48 0.59 0.18 4.02 7.50 -1.97 0.12 115.11 130.04 3k4u h GLN 74 Ca -0.49 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 58.62 3k4u h GLN 74 Cb 1.17 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 28.57 3k4u h GLN 74 CO 0.56 0.39 -0.09 1.49 -1.50 0.00 0.00 178.83 179.68 3k4u h GLU 75 N 0.61 -0.24 -0.75 1.46 4.81 -2.00 -2.74 114.58 115.73 3k4u h GLU 75 Ca 0.37 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.67 3k4u h GLU 75 Cb 0.61 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 3k4u h GLU 75 CO -0.14 -0.01 0.45 0.00 -0.73 0.00 0.00 179.01 178.58 3k4u h ARG 76 N -0.43 0.82 0.00 1.92 3.08 -1.78 -1.94 114.38 116.04 3k4u h ARG 76 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3k4u h ARG 76 Cb 0.33 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3k4u h ARG 76 CO 0.04 0.54 0.00 -1.71 -1.07 0.00 0.00 179.97 177.77 3k4u n ASN 77 N -4.69 0.04 0.22 7.04 4.05 -0.03 -1.43 115.26 120.46 3k4u n ASN 77 Ca 0.10 0.52 0.09 0.00 0.45 0.00 0.00 54.58 55.74 3k4u n ASN 77 Cb 0.15 -0.52 0.43 0.00 1.23 0.00 0.00 39.78 41.07 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 0.00 1.20 3.38 -1.03 -3.34 115.31 115.52 3k4u h LEU 78 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3k4u h LEU 78 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3k4u h LEU 78 CO 0.00 0.24 -1.92 0.54 0.09 0.00 0.00 178.44 177.39 3k4u n ARG 79 N -3.39 0.63 -3.77 1.13 1.74 -0.52 -5.05 116.66 107.44 3k4u n ARG 79 Ca 0.00 -0.16 -0.10 0.00 -0.77 0.00 0.00 57.85 56.82 3k4u n ARG 79 Cb 0.45 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 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 -3.27 0.05 -0.09 1.55 -7.23 -1.11 -4.63 120.40 105.67 3k4u s VAL 80 Ca -0.07 -0.88 -0.05 0.00 -1.81 0.00 0.00 61.98 59.16 3k4u s VAL 80 Cb 0.12 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 3k4u s VAL 80 CO 0.80 -0.23 0.12 0.20 -0.31 0.00 0.00 175.10 175.69 3k4u s ASN 81 N -2.88 6.18 -0.10 4.85 0.01 -0.40 -4.35 114.94 118.25 3k4u s ASN 81 Ca 0.09 0.38 -0.02 0.00 -0.71 0.00 0.00 52.86 52.60 3k4u s ASN 81 Cb 0.01 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.69 3k4u s ASN 81 CO -0.05 0.37 -0.01 -0.36 -1.51 0.00 0.00 177.10 175.55 3k4u s PHE 82 N -1.06 3.11 0.90 2.20 0.08 -1.26 -1.12 117.98 120.84 3k4u s PHE 82 Ca 0.17 0.07 -0.12 0.00 0.12 0.00 0.00 56.93 57.17 3k4u s PHE 82 Cb -0.12 -1.84 0.13 0.00 -0.57 0.00 0.00 43.02 40.63 3k4u s PHE 82 CO 0.07 0.33 1.10 0.08 -0.10 0.00 0.00 175.22 176.69 3k4u s VAL 83 N -0.53 2.52 0.58 -0.44 1.01 -0.28 -5.00 120.40 118.27 3k4u s VAL 83 Ca 0.09 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 3k4u s VAL 83 Cb -0.12 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3k4u s VAL 83 CO 0.02 -0.22 1.24 -0.62 0.00 0.00 0.00 175.10 175.52 3k4u n GLU 84 N -3.85 1.33 -1.89 2.72 -0.58 -1.26 -4.63 120.64 112.48 3k4u n GLU 84 Ca 0.06 0.50 -0.42 0.00 -0.42 0.00 0.00 57.16 56.89 3k4u n GLU 84 Cb 0.56 -2.45 -0.02 0.00 -0.57 0.00 0.00 31.44 28.96 3k4u n GLU 84 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3k4u s PRO 85 N -2.97 4.19 0.04 3.49 0.04 -1.26 -4.72 135.00 133.82 3k4u s PRO 85 Ca 0.76 2.44 0.13 0.00 0.04 0.00 0.00 61.00 64.36 3k4u s PRO 85 Cb -0.41 -3.08 -0.17 0.00 0.04 0.00 0.00 34.50 30.87 3k4u s PRO 85 CO 0.46 -0.55 0.88 0.10 0.04 0.00 0.00 177.00 177.94 3k4u h TYR 86 N 5.36 0.00 -3.60 0.56 -0.00 -1.40 -3.47 116.97 114.41 3k4u h TYR 86 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.17 3k4u h TYR 86 Cb 1.22 0.00 -0.16 0.00 0.00 0.00 0.00 36.73 37.78 3k4u h TYR 86 CO 0.61 0.83 -0.37 -1.50 -0.00 0.00 0.00 178.16 177.73 3k4u s ILE 87 N -2.74 0.12 -0.09 -0.90 2.07 -1.24 -5.05 121.20 113.36 3k4u s ILE 87 Ca -0.02 -0.95 0.03 0.00 -1.41 0.00 0.00 60.65 58.30 3k4u s ILE 87 Cb 0.08 -1.04 0.01 0.00 0.13 0.00 0.00 42.46 41.64 3k4u s ILE 87 CO 0.81 -0.52 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.45 3k4u s VAL 88 N -2.95 1.65 0.33 4.00 1.01 -1.26 -0.97 120.40 122.21 3k4u s VAL 88 Ca -0.02 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3k4u s VAL 88 Cb 0.01 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 3k4u s VAL 88 CO -0.06 0.47 0.09 -0.69 0.00 0.00 0.00 175.10 174.91 3k4u s VAL 89 N 0.59 0.88 0.15 2.92 1.01 0.30 -4.95 120.40 121.29 3k4u s VAL 89 Ca -0.15 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 59.70 3k4u s VAL 89 Cb -0.17 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.58 3k4u s VAL 89 CO 0.05 0.00 0.36 -0.83 0.00 0.00 0.00 175.10 174.68 3k4u s GLY 90 N -3.47 0.10 0.07 4.51 0.00 -1.26 0.63 107.32 107.91 3k4u s GLY 90 Ca 0.34 -0.48 -0.24 0.00 0.00 0.00 0.00 44.72 44.34 3k4u s GLY 90 CO 0.15 -0.56 0.73 1.62 0.00 0.00 0.00 173.10 175.04 3k4u s GLN 91 N -3.89 4.47 0.20 2.90 2.00 -1.26 -0.83 119.66 123.25 3k4u s GLN 91 Ca 0.10 1.02 0.02 0.00 -2.00 0.00 0.00 55.36 54.50 3k4u s GLN 91 Cb 0.02 -3.32 -0.01 0.00 0.80 0.00 0.00 33.01 30.50 3k4u s GLN 91 CO -0.05 0.40 0.07 -1.13 -0.50 0.00 0.00 175.29 174.08 3k4u n SER 92 N 2.39 1.06 -4.16 6.67 3.41 -0.80 -0.38 113.62 121.82 3k4u n SER 92 Ca -0.04 -2.08 -0.24 0.00 -0.26 0.00 0.00 58.87 56.25 3k4u n SER 92 Cb 0.50 0.52 -0.15 0.00 -0.26 0.00 0.00 64.21 64.82 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 2.06 -0.12 1.04 1.43 -1.17 -2.84 118.68 119.09 3k4u s LEU 93 Ca 0.10 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3k4u s LEU 93 Cb 0.01 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 3k4u s LEU 93 CO 0.07 0.18 -0.02 -0.76 0.23 0.00 0.00 176.35 176.05 3k4u s LEU 94 N -0.57 3.41 0.07 1.79 1.43 0.89 -3.23 118.68 122.48 3k4u s LEU 94 Ca 0.06 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 3k4u s LEU 94 Cb -0.07 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3k4u s LEU 94 CO -0.00 0.28 -0.07 0.68 0.23 0.00 0.00 176.35 177.47 3k4u s VAL 95 N -0.31 0.62 0.34 -1.59 -7.23 -0.86 0.66 120.40 112.03 3k4u s VAL 95 Ca 0.06 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.41 3k4u s VAL 95 Cb -0.12 -1.17 -0.12 0.00 0.56 0.00 0.00 36.38 35.53 3k4u s VAL 95 CO 0.02 -0.64 1.46 1.17 -0.31 0.00 0.00 175.10 176.80 3k4u n LYS 96 N 0.68 2.48 -1.80 4.82 4.81 -0.95 -2.34 118.16 125.87 3k4u n LYS 96 Ca -0.17 0.87 -0.41 0.00 -0.87 0.00 0.00 58.31 57.74 3k4u n LYS 96 Cb 0.58 -2.57 0.01 0.00 0.02 0.00 0.00 35.03 33.06 3k4u n LYS 96 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3k4u s LYS 97 N -1.51 3.93 0.00 1.64 2.20 -1.24 -2.07 119.74 122.69 3k4u s LYS 97 Ca 0.58 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.70 3k4u s LYS 97 Cb -0.52 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 3k4u s LYS 97 CO 0.59 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 3k4u n GLY 98 N 0.50 0.74 0.58 5.54 0.00 -1.26 -4.88 105.19 106.41 3k4u n GLY 98 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 3k4u n GLY 98 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3k4u n LEU 99 N 0.00 2.51 0.24 0.99 0.00 -0.88 -4.86 117.00 115.00 3k4u n LEU 99 Ca 0.00 -3.63 0.14 0.00 0.00 0.00 0.00 56.01 52.52 3k4u n LEU 99 Cb 0.00 -0.47 0.34 0.00 0.00 0.00 0.00 43.42 43.29 3k4u n LEU 99 CO 0.00 1.23 0.87 -0.33 0.00 0.00 0.00 177.39 179.16 3k4u h GLU 100 N 0.85 0.00 -4.81 1.96 5.08 -1.90 -3.48 114.58 112.28 3k4u h GLU 100 Ca -0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.07 3k4u h GLU 100 Cb 1.07 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.17 3k4u h GLU 100 CO 0.01 0.01 -0.69 -1.59 -1.00 0.00 0.00 179.01 175.75 3k4u s LYS 101 N -3.36 1.01 0.00 2.33 -2.85 -1.26 -4.88 119.74 110.72 3k4u s LYS 101 Ca 0.05 -1.45 0.00 0.00 -1.00 0.00 0.00 55.97 53.57 3k4u s LYS 101 Cb 0.06 -0.33 0.00 0.00 -2.06 0.00 0.00 37.83 35.51 3k4u s LYS 101 CO 0.63 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 176.44 3k4u n GLY 102 N -0.17 2.18 3.80 0.59 0.00 -1.26 -5.01 105.19 105.33 3k4u n GLY 102 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.31 5.24 -1.90 1.61 -7.23 -1.26 -4.98 120.40 109.58 3k4u s VAL 103 Ca 0.00 0.60 0.26 0.00 -1.81 0.00 0.00 61.98 61.02 3k4u s VAL 103 Cb 0.00 -3.62 0.23 0.00 0.56 0.00 0.00 36.38 33.56 3k4u s VAL 103 CO 0.00 0.51 1.48 0.29 -0.31 0.00 0.00 175.10 177.07 3k4u n LYS 104 N 2.55 1.01 -3.84 4.82 5.02 -1.26 -4.93 118.16 121.53 3k4u n LYS 104 Ca -0.14 -0.66 -0.05 0.00 -2.02 0.00 0.00 58.31 55.43 3k4u n LYS 104 Cb 0.53 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.07 3k4u n LYS 104 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3k4u s SER 105 N -2.45 -0.02 0.00 4.39 1.04 -1.26 -4.96 113.70 110.45 3k4u s SER 105 Ca 0.24 -0.84 0.08 0.00 0.48 0.00 0.00 55.95 55.91 3k4u s SER 105 Cb 0.19 0.65 0.46 0.00 0.10 0.00 0.00 66.02 67.41 3k4u s SER 105 CO 0.51 -1.27 1.09 0.00 0.98 0.00 0.00 173.24 174.54 3k4u n TYR 106 N -0.61 0.00 -0.09 5.02 4.11 -1.26 -2.84 117.16 121.49 3k4u n TYR 106 Ca -0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.62 3k4u n TYR 106 Cb 0.60 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.82 3k4u n TYR 106 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3k4u n LYS 107 N -0.66 0.65 0.00 -3.48 5.02 -1.26 -3.38 118.16 115.06 3k4u n LYS 107 Ca 0.06 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3k4u n LYS 107 Cb 0.03 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 3k4u n LYS 107 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3k4u n ASP 108 N -3.76 0.00 -0.10 4.39 10.43 -1.13 -1.82 116.55 124.56 3k4u n ASP 108 Ca -0.41 0.00 0.04 0.00 2.57 0.00 0.00 54.79 56.99 3k4u n ASP 108 Cb 0.93 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.86 3k4u n ASP 108 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3k4u n LEU 109 N -0.77 0.77 -3.62 0.64 7.99 -1.22 -4.60 117.00 116.19 3k4u n LEU 109 Ca 0.00 -0.62 -0.41 0.00 -0.01 0.00 0.00 56.01 54.97 3k4u n LEU 109 Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 3k4u n LEU 109 CO 0.00 0.17 2.77 -0.67 -1.51 0.00 0.00 177.39 178.14 3k4u n ASP 110 N -0.77 4.73 -4.85 -1.43 4.64 -0.76 -4.92 116.55 113.18 3k4u n ASP 110 Ca 0.03 -2.76 -0.32 0.00 -1.38 0.00 0.00 54.79 50.36 3k4u n ASP 110 Cb 0.17 -1.57 -0.04 0.00 -1.04 0.00 0.00 41.12 38.63 3k4u n ASP 110 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3k4u s LYS 111 N 3.18 3.93 0.27 -0.67 -0.14 -1.26 -4.75 119.74 120.30 3k4u s LYS 111 Ca 0.52 0.74 0.12 0.00 -1.36 0.00 0.00 55.97 56.00 3k4u s LYS 111 Cb 0.15 -2.29 0.31 0.00 -1.68 0.00 0.00 37.83 34.32 3k4u s LYS 111 CO -0.06 -0.08 1.57 -1.00 -0.76 0.00 0.00 175.35 175.01 3k4u h PRO 112 N 1.40 0.00 -0.14 -1.68 0.13 -1.92 -3.26 132.00 126.53 3k4u h PRO 112 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 3k4u h PRO 112 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3k4u h PRO 112 CO 0.63 0.62 -0.66 1.49 -0.23 0.00 0.00 178.00 179.85 3k4u h GLU 113 N 0.00 0.55 -6.92 0.86 4.57 -1.94 -3.39 114.58 108.30 3k4u h GLU 113 Ca -0.01 -0.40 -0.52 0.00 -1.18 0.00 0.00 59.36 57.25 3k4u h GLU 113 Cb 1.19 0.07 0.07 0.00 -0.16 0.00 0.00 28.75 29.93 3k4u h GLU 113 CO 0.08 1.02 0.63 -0.51 -1.18 0.00 0.00 179.01 179.05 3k4u s LEU 114 N -8.21 4.32 -0.25 1.64 2.01 -1.23 -4.82 118.68 112.15 3k4u s LEU 114 Ca -0.07 2.69 -0.05 0.00 0.01 0.00 0.00 54.13 56.71 3k4u s LEU 114 Cb 0.10 -3.77 -0.00 0.00 0.01 0.00 0.00 46.19 42.53 3k4u s LEU 114 CO 0.85 -0.70 0.00 -0.89 1.01 0.00 0.00 176.35 176.63 3k4u s THR 115 N -1.20 3.60 0.09 5.49 2.01 -1.26 -1.68 115.64 122.70 3k4u s THR 115 Ca 0.53 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.99 3k4u s THR 115 Cb -0.39 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 3k4u s THR 115 CO 0.51 0.30 0.21 -0.22 -0.69 0.00 0.00 174.62 174.73 3k4u s LEU 116 N 1.49 4.24 0.04 4.42 2.96 0.12 -0.67 118.68 131.29 3k4u s LEU 116 Ca 0.04 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.11 3k4u s LEU 116 Cb -0.15 -2.85 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 3k4u s LEU 116 CO -0.01 0.14 0.02 0.68 -1.32 0.00 0.00 176.35 175.86 3k4u s VAL 117 N -1.56 0.16 0.09 1.68 -7.23 -1.26 -1.09 120.40 111.19 3k4u s VAL 117 Ca 0.34 -1.36 -0.21 0.00 -1.81 0.00 0.00 61.98 58.94 3k4u s VAL 117 Cb -0.12 -1.04 0.07 0.00 0.56 0.00 0.00 36.38 35.85 3k4u s VAL 117 CO 0.27 -0.75 0.99 1.07 -0.31 0.00 0.00 175.10 176.37 3k4u n THR 118 N 0.63 0.00 -3.09 5.32 5.66 -1.02 -2.33 114.28 119.45 3k4u n THR 118 Ca -0.18 -0.34 -0.36 0.00 -3.05 0.00 0.00 64.05 60.12 3k4u n THR 118 Cb 0.59 0.60 -0.06 0.00 -1.55 0.00 0.00 70.33 69.91 3k4u n THR 118 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3k4u s LYS 119 N -2.03 4.28 0.27 1.09 2.20 -1.26 -1.49 119.74 122.80 3k4u s LYS 119 Ca 0.23 0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 56.43 3k4u s LYS 119 Cb -0.02 -2.90 -0.10 0.00 -1.51 0.00 0.00 37.83 33.30 3k4u s LYS 119 CO 0.03 0.40 1.48 0.12 -0.36 0.00 0.00 175.35 177.02 3k4u s PHE 120 N -1.50 2.92 -0.23 4.03 5.36 0.81 -4.07 117.98 125.30 3k4u s PHE 120 Ca 0.43 0.98 -0.01 0.00 -0.96 0.00 0.00 56.93 57.37 3k4u s PHE 120 Cb -0.17 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.61 3k4u s PHE 120 CO 0.21 -2.92 0.11 0.41 -1.46 0.00 0.00 175.22 171.57 3k4u n GLY 121 N 2.03 0.53 3.15 13.12 0.00 -1.26 -5.00 105.19 117.76 3k4u n GLY 121 Ca 0.07 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.68 0.18 0.40 1.61 1.01 -1.26 -4.95 120.40 114.71 3k4u s VAL 122 Ca 0.05 -1.53 0.18 0.00 0.00 0.00 0.00 61.98 60.68 3k4u s VAL 122 Cb -0.02 -1.46 0.39 0.00 0.00 0.00 0.00 36.38 35.28 3k4u s VAL 122 CO 0.07 -0.82 1.80 0.28 0.00 0.00 0.00 175.10 176.42 3k4u h SER 123 N 2.96 0.44 0.36 3.32 0.02 -1.96 0.25 113.55 118.95 3k4u h SER 123 Ca -0.34 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 3k4u h SER 123 Cb 1.17 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 3k4u h SER 123 CO 0.61 0.12 -0.15 0.00 -1.14 0.00 0.00 176.83 176.27 3k4u h ALA 124 N 1.61 1.35 0.19 3.77 0.00 -1.91 -2.14 119.26 122.13 3k4u h ALA 124 Ca 0.56 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 55.07 3k4u h ALA 124 Cb 1.40 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.19 3k4u h ALA 124 CO -0.26 0.19 -1.18 1.49 0.00 0.00 0.00 179.25 179.49 3k4u h GLU 125 N 0.00 0.41 -0.20 0.00 4.81 -0.73 -2.54 114.58 116.33 3k4u h GLU 125 Ca -0.00 -0.70 -0.04 0.00 -0.13 0.00 0.00 59.36 58.49 3k4u h GLU 125 Cb 0.37 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3k4u h GLU 125 CO 0.02 1.33 -0.04 1.88 -0.73 0.00 0.00 179.01 181.47 3k4u h TYR 126 N -0.13 0.30 0.02 0.92 0.05 -1.43 -0.29 116.97 116.42 3k4u h TYR 126 Ca -0.21 -0.02 -0.22 0.00 0.05 0.00 0.00 58.73 58.33 3k4u h TYR 126 Cb 1.90 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 39.54 3k4u h TYR 126 CO 0.16 0.35 -0.96 0.00 -1.05 0.00 0.00 178.16 176.66 3k4u h ALA 127 N 1.68 0.41 0.15 3.88 0.00 -1.46 -3.01 119.26 120.90 3k4u h ALA 127 Ca 0.06 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 3k4u h ALA 127 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3k4u h ALA 127 CO 0.01 0.93 -0.07 0.00 0.00 0.00 0.00 179.25 180.12 3k4u h ALA 128 N 0.86 -0.20 -0.19 0.00 0.00 -0.80 -1.06 119.26 117.88 3k4u h ALA 128 Ca -0.06 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3k4u h ALA 128 Cb 1.62 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 3k4u h ALA 128 CO 0.15 -0.45 -0.43 0.87 0.00 0.00 0.00 179.25 179.39 3k4u h LYS 129 N -0.52 -0.39 0.00 0.00 1.57 -1.18 0.56 116.57 116.61 3k4u h LYS 129 Ca -0.02 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3k4u h LYS 129 Cb 0.41 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3k4u h LYS 129 CO 0.03 -0.26 -0.26 0.07 -0.57 0.00 0.00 179.45 178.46 3k4u h ARG 130 N -0.41 0.00 0.13 3.15 0.11 -1.58 -3.24 114.38 112.54 3k4u h ARG 130 Ca 0.04 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.81 3k4u h ARG 130 Cb 0.51 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.59 3k4u h ARG 130 CO -0.39 0.26 -1.55 1.25 0.10 0.00 0.00 179.97 179.64 3k4u h LEU 131 N 0.00 0.44 -8.69 0.08 5.85 -0.43 -3.45 115.31 109.12 3k4u h LEU 131 Ca -0.00 -0.88 -0.67 0.00 0.84 0.00 0.00 57.88 57.17 3k4u h LEU 131 Cb 0.47 -0.14 -0.20 0.00 0.37 0.00 0.00 40.66 41.16 3k4u h LEU 131 CO 0.03 1.68 -0.52 -0.36 -0.34 0.00 0.00 178.44 178.94 3k4u s PHE 132 N -2.51 3.21 -0.05 1.25 0.08 0.19 -4.97 117.98 115.18 3k4u s PHE 132 Ca -0.19 -0.30 -0.18 0.00 0.12 0.00 0.00 56.93 56.38 3k4u s PHE 132 Cb 0.05 -2.41 -0.31 0.00 -0.57 0.00 0.00 43.02 39.78 3k4u s PHE 132 CO 0.78 -0.37 0.80 0.87 -0.10 0.00 0.00 175.22 177.21 3k4u h LYS 133 N 8.42 0.33 0.00 0.44 1.57 -1.85 -3.42 116.57 122.06 3k4u h LYS 133 Ca -0.32 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 57.89 3k4u h LYS 133 Cb 1.16 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3k4u h LYS 133 CO 0.61 1.27 -0.14 0.09 -0.57 0.00 0.00 179.45 180.71 3k4u n ASN 134 N -3.96 0.69 -4.80 0.86 4.13 -1.26 -5.05 115.26 105.87 3k4u n ASN 134 Ca -0.18 -0.43 -0.35 0.00 1.68 0.00 0.00 54.58 55.29 3k4u n ASN 134 Cb 0.91 1.00 -0.07 0.00 -1.54 0.00 0.00 39.78 40.09 3k4u n ASN 134 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k4u s ALA 135 N -1.15 3.13 0.29 5.41 0.00 -1.24 -4.56 121.76 123.64 3k4u s ALA 135 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.14 3k4u s ALA 135 Cb 0.00 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.85 3k4u s ALA 135 CO 0.00 0.14 1.39 0.15 0.00 0.00 0.00 175.76 177.45 3k4u s LYS 136 N -2.58 4.29 -0.23 0.00 1.02 -0.67 -4.88 119.74 116.68 3k4u s LYS 136 Ca 0.56 2.28 0.01 0.00 0.02 0.00 0.00 55.97 58.85 3k4u s LYS 136 Cb -0.14 -3.09 0.05 0.00 -0.52 0.00 0.00 37.83 34.13 3k4u s LYS 136 CO 0.19 -0.34 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.03 3k4u s LEU 137 N -1.01 2.70 -0.04 3.17 2.96 -1.26 0.14 118.68 125.34 3k4u s LEU 137 Ca 0.55 -1.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 3k4u s LEU 137 Cb -0.41 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3k4u s LEU 137 CO 0.48 -0.20 0.06 -0.54 -1.32 0.00 0.00 176.35 174.83 3k4u s LYS 138 N 1.32 3.05 0.12 1.98 1.02 -0.25 -5.00 119.74 121.98 3k4u s LYS 138 Ca -0.05 -0.44 0.09 0.00 0.02 0.00 0.00 55.97 55.58 3k4u s LYS 138 Cb -0.18 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 3k4u s LYS 138 CO -0.06 0.67 -0.21 0.95 -0.92 0.00 0.00 175.35 175.78 3k4u s THR 139 N -1.09 1.83 0.18 2.17 -4.23 -1.26 -2.42 115.64 110.82 3k4u s THR 139 Ca 0.19 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.02 3k4u s THR 139 Cb -0.12 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 3k4u s THR 139 CO 0.09 -0.10 0.09 -0.31 -0.54 0.00 0.00 174.62 173.86 3k4u s TYR 140 N -1.37 1.11 -1.11 3.99 2.02 -0.56 -4.84 117.35 116.60 3k4u s TYR 140 Ca 0.10 -1.29 0.27 0.00 -0.37 0.00 0.00 57.07 55.78 3k4u s TYR 140 Cb -0.09 -0.58 1.19 0.00 -0.40 0.00 0.00 41.96 42.08 3k4u s TYR 140 CO 0.05 -0.54 1.87 -0.25 -1.57 0.00 0.00 175.55 175.11 3k4u n ASP 141 N -0.23 0.00 -3.65 2.29 8.00 -1.26 -0.13 116.55 121.56 3k4u n ASP 141 Ca -0.01 0.35 -0.10 0.00 0.71 0.00 0.00 54.79 55.74 3k4u n ASP 141 Cb 0.65 -0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 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 -2.89 0.05 0.25 -3.53 -4.23 -1.26 -4.79 115.64 99.24 3k4u s THR 142 Ca 0.16 -0.60 -0.05 0.00 -1.18 0.00 0.00 61.69 60.02 3k4u s THR 142 Cb 0.18 -1.30 0.25 0.00 1.34 0.00 0.00 72.50 72.97 3k4u s THR 142 CO 0.47 -0.22 1.89 -0.33 -0.54 0.00 0.00 174.62 175.89 3k4u h GLU 143 N 2.28 1.17 -0.07 3.99 3.07 -1.88 -2.48 114.58 120.65 3k4u h GLU 143 Ca -0.32 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.47 3k4u h GLU 143 Cb 1.26 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 3k4u h GLU 143 CO 0.43 0.77 0.03 0.00 -1.40 0.00 0.00 179.01 178.84 3k4u h ALA 144 N 1.40 0.08 0.00 3.43 0.00 -1.96 -2.32 119.26 119.88 3k4u h ALA 144 Ca 0.39 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 3k4u h ALA 144 Cb 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k4u h ALA 144 CO -0.13 -0.44 -0.40 0.93 0.00 0.00 0.00 179.25 179.21 3k4u h GLU 145 N 0.06 0.00 -0.03 0.00 5.08 -1.93 -1.56 114.58 116.20 3k4u h GLU 145 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3k4u h GLU 145 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3k4u h GLU 145 CO -0.03 0.40 -0.05 0.00 -1.00 0.00 0.00 179.01 178.32 3k4u h ALA 146 N 1.60 0.05 0.00 3.43 0.00 -1.24 -2.94 119.26 120.16 3k4u h ALA 146 Ca -0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3k4u h ALA 146 Cb 0.74 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3k4u h ALA 146 CO 0.05 -0.13 -0.35 -0.39 0.00 0.00 0.00 179.25 178.43 3k4u h VAL 147 N -0.44 0.93 -0.71 0.00 -1.51 -1.42 -3.05 116.25 110.05 3k4u h VAL 147 Ca 0.00 -1.37 -0.00 0.00 -1.23 0.00 0.00 66.70 64.10 3k4u h VAL 147 Cb 0.62 1.82 -0.03 0.00 -2.13 0.00 0.00 31.29 31.56 3k4u h VAL 147 CO 0.01 0.34 0.43 -0.61 -1.23 0.00 0.00 177.57 176.52 3k4u h GLN 148 N 0.00 0.96 -0.82 5.19 -0.00 -1.25 0.41 115.11 119.60 3k4u h GLN 148 Ca -0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 58.65 58.52 3k4u h GLN 148 Cb 0.79 -0.21 -0.04 0.00 0.00 0.00 0.00 27.48 28.03 3k4u h GLN 148 CO 0.05 0.67 0.35 0.93 0.00 0.00 0.00 178.83 180.83 3k4u h GLU 149 N 0.98 1.21 -0.75 1.69 4.39 -1.40 -0.86 114.58 119.84 3k4u h GLU 149 Ca 0.26 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 3k4u h GLU 149 Cb -0.04 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.37 3k4u h GLU 149 CO -0.05 0.96 0.27 0.28 -1.16 0.00 0.00 179.01 179.32 3k4u h VAL 150 N 1.19 1.26 -0.80 3.13 2.07 -0.98 -2.97 116.25 119.14 3k4u h VAL 150 Ca 0.28 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3k4u h VAL 150 Cb 0.19 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3k4u h VAL 150 CO -0.03 0.34 0.37 -0.07 0.02 0.00 0.00 177.57 178.20 3k4u h LEU 151 N 1.11 1.06-10.55 2.57 3.38 0.11 -3.41 115.31 109.57 3k4u h LEU 151 Ca 0.25 -0.14 -0.47 0.00 0.09 0.00 0.00 57.88 57.61 3k4u h LEU 151 Cb 0.25 -0.27 0.12 0.00 0.09 0.00 0.00 40.66 40.84 3k4u h LEU 151 CO -0.02 0.91 0.35 0.54 0.09 0.00 0.00 178.44 180.32 3k4u s ASN 152 N -6.26 4.01 0.32 -0.43 2.20 -0.76 -4.99 114.94 109.03 3k4u s ASN 152 Ca -0.13 0.88 0.01 0.00 -0.94 0.00 0.00 52.86 52.68 3k4u s ASN 152 Cb 0.16 -1.41 0.54 0.00 -2.00 0.00 0.00 41.25 38.54 3k4u s ASN 152 CO 0.83 -2.23 1.95 1.23 -2.94 0.00 0.00 177.10 175.94 3k4u h GLY 153 N -1.28 0.93 1.04 0.45 0.00 -1.79 -3.40 103.07 99.01 3k4u h GLY 153 Ca -0.48 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 3k4u h GLY 153 CO 0.64 0.38 0.55 0.50 0.00 0.00 0.00 176.54 178.61 3k4u h LYS 154 N 0.88 1.27 -5.78 4.80 1.57 -1.87 -3.42 116.57 114.02 3k4u h LYS 154 Ca 0.23 -0.12 -0.67 0.00 -1.87 0.00 0.00 60.65 58.21 3k4u h LYS 154 Cb 0.01 -0.26 -0.14 0.00 0.08 0.00 0.00 32.23 31.92 3k4u h LYS 154 CO -0.04 0.90 -0.59 0.00 -0.57 0.00 0.00 179.45 179.15 3k4u s ALA 155 N -5.92 3.40 -0.22 3.86 0.00 -1.13 -4.92 121.76 116.84 3k4u s ALA 155 Ca -0.13 -0.77 0.28 0.00 0.00 0.00 0.00 51.96 51.35 3k4u s ALA 155 Cb 0.17 -1.64 0.88 0.00 0.00 0.00 0.00 23.12 22.53 3k4u s ALA 155 CO 0.82 0.52 1.80 -0.44 0.00 0.00 0.00 175.76 178.46 3k4u h ASP 156 N 5.42 0.00 -2.53 0.00 3.45 -1.16 -3.37 116.42 118.22 3k4u h ASP 156 Ca -0.49 0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.09 3k4u h ASP 156 Cb 1.20 0.00 -0.27 0.00 -0.56 0.00 0.00 39.33 39.69 3k4u h ASP 156 CO 0.58 0.00 0.41 0.12 -1.57 0.00 0.00 179.24 178.78 3k4u s PHE 158 N -3.42 -0.54 -0.16 4.55 5.36 0.21 -2.24 117.98 121.75 3k4u s PHE 158 Ca 0.04 1.08 -0.01 0.00 -0.96 0.00 0.00 56.93 57.09 3k4u s PHE 158 Cb 0.08 0.33 -0.01 0.00 -0.34 0.00 0.00 43.02 43.07 3k4u s PHE 158 CO 0.59 -0.27 -0.12 -1.50 -1.46 0.00 0.00 175.22 172.47 3k4u s ILE 159 N 1.27 3.05 0.21 3.12 2.07 -0.99 -0.07 121.20 129.86 3k4u s ILE 159 Ca -0.08 -0.64 -0.20 0.00 -1.41 0.00 0.00 60.65 58.32 3k4u s ILE 159 Cb -0.04 -2.31 0.03 0.00 0.13 0.00 0.00 42.46 40.28 3k4u s ILE 159 CO -0.14 0.50 0.59 0.12 -1.91 0.00 0.00 174.94 174.10 3k4u s PHE 160 N 0.69 -0.21 0.02 3.50 5.36 -1.13 -4.69 117.98 121.52 3k4u s PHE 160 Ca -0.06 -0.14 -0.38 0.00 -0.96 0.00 0.00 56.93 55.39 3k4u s PHE 160 Cb -0.15 0.51 -0.18 0.00 -0.34 0.00 0.00 43.02 42.86 3k4u s PHE 160 CO 0.02 -1.00 1.27 -0.25 -1.46 0.00 0.00 175.22 173.80 3k4u n ASP 161 N -0.39 1.06 -0.29 6.13 10.43 -1.26 -1.90 116.55 130.32 3k4u n ASP 161 Ca -0.09 1.13 0.12 0.00 2.57 0.00 0.00 54.79 58.52 3k4u n ASP 161 Cb 0.62 -1.08 0.27 0.00 1.84 0.00 0.00 41.12 42.77 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 4.12 -0.06 -0.18 0.64 6.46 -1.31 -1.98 115.31 123.00 3k4u h LEU 162 Ca -0.49 0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.53 3k4u h LEU 162 Cb 1.37 0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 41.52 3k4u h LEU 162 CO 0.74 -0.16 -0.26 -0.65 -0.62 0.00 0.00 178.44 177.49 3k4u h PRO 163 N 0.19 -0.29 -0.82 5.25 0.11 -1.89 -0.15 132.00 134.40 3k4u h PRO 163 Ca 0.54 0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.85 3k4u h PRO 163 Cb 1.07 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3k4u h PRO 163 CO -0.66 -0.20 0.55 0.35 -0.21 0.00 0.00 178.00 177.83 3k4u h PHE 164 N -0.30 0.46 -0.03 0.65 3.57 -1.18 0.43 116.94 120.54 3k4u h PHE 164 Ca 0.12 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.42 3k4u h PHE 164 Cb 0.48 -0.14 0.02 0.00 2.79 0.00 0.00 35.95 39.10 3k4u h PHE 164 CO -0.39 0.15 -0.82 -0.91 -2.23 0.00 0.00 178.31 174.11 3k4u h ASN 165 N 0.37 0.77 0.26 0.41 2.35 -1.21 0.58 115.58 119.12 3k4u h ASN 165 Ca 0.41 -0.72 -0.05 0.00 -0.55 0.00 0.00 56.30 55.39 3k4u h ASN 165 Cb 1.05 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 3k4u h ASN 165 CO -0.13 1.39 -0.22 -0.37 -1.65 0.00 0.00 177.43 176.45 3k4u h VAL 166 N 0.23 1.07 -0.10 2.81 -1.51 0.44 -2.24 116.25 116.94 3k4u h VAL 166 Ca -0.09 -0.78 -0.06 0.00 -1.23 0.00 0.00 66.70 64.53 3k4u h VAL 166 Cb 1.49 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 32.08 3k4u h VAL 166 CO 0.16 0.22 -0.18 0.00 -1.23 0.00 0.00 177.57 176.54 3k4u h ALA 167 N 1.78 0.16 0.00 5.19 0.00 0.01 -3.13 119.26 123.26 3k4u h ALA 167 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3k4u h ALA 167 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3k4u h ALA 167 CO 0.03 0.08 0.00 0.34 0.00 0.00 0.00 179.25 179.70 3k4u n PHE 168 N -4.55 0.00 0.00 0.00 7.35 0.20 0.01 117.46 120.47 3k4u n PHE 168 Ca -0.07 -0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.56 3k4u n PHE 168 Cb 0.40 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 40.14 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 0.71 0.00 -0.14 3.13 0.00 -1.19 0.53 120.51 123.55 3k4u n ALA 170 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3k4u n ALA 170 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 0.61 0.00 0.00 4.15 -0.66 -3.41 115.11 115.80 3k4u h GLN 171 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3k4u h GLN 171 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.58 3k4u h GLN 171 CO 0.00 0.53 -0.10 1.63 -1.93 0.00 0.00 178.83 178.96 3k4u n LYS 172 N -4.67 0.00 -0.12 1.69 5.02 2.03 -4.86 118.16 117.26 3k4u n LYS 172 Ca 0.01 -0.29 -0.11 0.00 -2.02 0.00 0.00 58.31 55.90 3k4u n LYS 172 Cb 0.11 -0.19 -0.03 0.00 -0.02 0.00 0.00 35.03 34.91 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 0.67 0.00 0.72 0.00 -1.69 -3.40 103.07 99.37 3k4u h GLY 173 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3k4u h GLY 173 CO 0.00 0.46 0.00 -1.06 0.00 0.00 0.00 176.54 175.94 3k4u n GLN 174 N -4.50 0.00 0.00 4.80 3.00 -1.26 0.27 117.38 119.69 3k4u n GLN 174 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.09 3k4u n GLN 174 Cb 0.28 0.00 0.12 0.00 0.00 0.00 0.00 30.24 30.64 3k4u n GLN 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k4u n GLY 175 N 0.00 0.55 0.12 1.08 0.00 -1.26 -4.82 105.19 100.85 3k4u n GLY 175 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 3k4u n GLY 175 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k4u h TYR 176 N 3.66 0.30 -3.24 1.61 0.05 0.36 -3.44 116.97 116.26 3k4u h TYR 176 Ca 0.00 -0.02 -0.50 0.00 0.05 0.00 0.00 58.73 58.26 3k4u h TYR 176 Cb 0.86 -0.09 -0.17 0.00 1.01 0.00 0.00 36.73 38.34 3k4u h TYR 176 CO 0.00 0.32 -0.77 -1.17 -1.05 0.00 0.00 178.16 175.49 3k4u s LEU 177 N -9.89 2.46 0.04 3.88 2.96 -1.23 -3.59 118.68 113.30 3k4u s LEU 177 Ca -0.13 -0.89 0.06 0.00 -0.22 0.00 0.00 54.13 52.95 3k4u s LEU 177 Cb 0.08 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.97 3k4u s LEU 177 CO 0.71 -0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.79 3k4u s VAL 178 N -2.22 1.46 -0.07 1.68 1.01 -0.99 -4.74 120.40 116.54 3k4u s VAL 178 Ca 0.16 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3k4u s VAL 178 Cb -0.05 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.07 3k4u s VAL 178 CO 0.06 0.14 -0.00 -1.38 0.00 0.00 0.00 175.10 173.92 3k4u s HIS 179 N -0.80 0.67 -0.05 5.22 -0.00 -1.26 -2.02 115.29 117.04 3k4u s HIS 179 Ca 0.05 -0.17 -0.30 0.00 -0.00 0.00 0.00 55.06 54.65 3k4u s HIS 179 Cb -0.08 -0.77 -0.04 0.00 -0.00 0.00 0.00 32.58 31.69 3k4u s HIS 179 CO 0.02 -0.30 1.33 -1.17 -0.00 0.00 0.00 174.74 174.61 3k4u s LEU 180 N 1.80 4.28 -0.41 5.38 2.96 -1.20 -4.93 118.68 126.57 3k4u s LEU 180 Ca 0.02 1.95 0.03 0.00 -0.22 0.00 0.00 54.13 55.91 3k4u s LEU 180 Cb -0.13 -3.55 0.53 0.00 0.50 0.00 0.00 46.19 43.54 3k4u s LEU 180 CO -0.04 -0.69 1.81 -0.90 -1.32 0.00 0.00 176.35 175.21 3k4u n ASP 181 N 5.64 4.25 -4.58 3.68 5.68 -1.26 -3.07 116.55 126.89 3k4u n ASP 181 Ca 0.13 -3.39 -0.43 0.00 -0.50 0.00 0.00 54.79 50.60 3k4u n ASP 181 Cb 0.45 -0.82 -0.04 0.00 -1.14 0.00 0.00 41.12 39.56 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 -2.98 4.51 0.03 2.12 2.01 -1.26 -4.97 115.64 115.11 3k4u s THR 182 Ca 0.49 0.87 -0.34 0.00 0.31 0.00 0.00 61.69 63.02 3k4u s THR 182 Cb 0.41 -4.40 -0.13 0.00 0.01 0.00 0.00 72.50 68.39 3k4u s THR 182 CO 0.08 -0.74 1.76 -1.54 -0.69 0.00 0.00 174.62 173.48 3k4u n SER 183 N 7.03 3.34 0.00 3.53 3.41 -1.25 -4.49 113.62 125.20 3k4u n SER 183 Ca 0.06 1.02 0.11 0.00 -0.26 0.00 0.00 58.87 59.80 3k4u n SER 183 Cb 0.48 -1.41 0.04 0.00 -0.26 0.00 0.00 64.21 63.07 3k4u n SER 183 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k4u n LEU 184 N 5.27 0.75 -4.20 1.04 4.77 0.49 -4.87 117.00 120.25 3k4u n LEU 184 Ca 0.20 -0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 3k4u n LEU 184 Cb 0.30 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 3k4u n LEU 184 CO 0.69 0.18 -0.37 0.42 -1.33 0.00 0.00 177.39 176.98 3k4u s THR 185 N -3.03 0.72 -0.33 -5.08 -4.23 -1.26 -4.90 115.64 97.53 3k4u s THR 185 Ca 0.08 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 58.52 3k4u s THR 185 Cb 0.16 -1.87 -0.01 0.00 1.34 0.00 0.00 72.50 72.13 3k4u s THR 185 CO 0.80 -0.71 0.20 -0.47 -0.54 0.00 0.00 174.62 173.90 3k4u s TYR 186 N -3.62 3.20 -0.37 3.99 5.04 -1.26 -4.33 117.35 120.01 3k4u s TYR 186 Ca 0.17 -0.45 0.01 0.00 -2.44 0.00 0.00 57.07 54.36 3k4u s TYR 186 Cb 0.05 -2.42 0.12 0.00 0.35 0.00 0.00 41.96 40.07 3k4u s TYR 186 CO -0.01 -0.43 0.17 -1.21 -1.34 0.00 0.00 175.55 172.73 3k4u s GLU 187 N 1.66 0.95 0.36 4.97 2.02 0.21 -5.00 118.70 123.86 3k4u s GLU 187 Ca 0.05 -1.51 -0.26 0.00 0.02 0.00 0.00 54.97 53.27 3k4u s GLU 187 Cb -0.17 -2.08 -0.09 0.00 0.10 0.00 0.00 34.13 31.89 3k4u s GLU 187 CO 0.08 -1.09 1.07 -1.25 0.02 0.00 0.00 175.26 174.09 3k4u s PRO 188 N 1.00 4.33 -0.01 0.39 0.04 -1.26 0.11 135.00 139.60 3k4u s PRO 188 Ca 0.14 1.62 0.06 0.00 0.04 0.00 0.00 61.00 62.86 3k4u s PRO 188 Cb -0.21 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 3k4u s PRO 188 CO -0.11 -0.02 -0.19 -0.51 0.04 0.00 0.00 177.00 176.22 3k4u s LEU 189 N -2.21 2.52 0.18 -3.56 1.02 -0.14 -1.36 118.68 115.13 3k4u s LEU 189 Ca 0.53 -0.34 -0.08 0.00 0.02 0.00 0.00 54.13 54.25 3k4u s LEU 189 Cb -0.26 -1.49 -0.01 0.00 0.02 0.00 0.00 46.19 44.45 3k4u s LEU 189 CO 0.32 0.31 0.29 -0.83 0.02 0.00 0.00 176.35 176.46 3k4u s GLY 190 N -0.95 0.61 0.05 -3.19 0.00 -1.26 -1.00 107.32 101.58 3k4u s GLY 190 Ca 0.12 -0.99 -0.16 0.00 0.00 0.00 0.00 44.72 43.68 3k4u s GLY 190 CO 0.02 -0.89 0.49 -0.98 0.00 0.00 0.00 173.10 171.74 3k4u s TRP 191 N -4.00 3.74 -0.11 1.90 0.51 -1.26 -4.72 118.94 115.00 3k4u s TRP 191 Ca 0.21 1.11 -0.01 0.00 -2.12 0.00 0.00 56.10 55.29 3k4u s TRP 191 Cb 0.03 -2.38 -0.02 0.00 -0.81 0.00 0.00 33.47 30.29 3k4u s TRP 191 CO 0.03 0.59 -0.09 0.00 -0.51 0.00 0.00 176.95 176.97 3k4u s ALA 192 N -1.15 2.81 0.39 0.98 0.00 -1.18 -1.12 121.76 122.49 3k4u s ALA 192 Ca 0.28 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.44 3k4u s ALA 192 Cb -0.18 -1.29 -0.08 0.00 0.00 0.00 0.00 23.12 21.58 3k4u s ALA 192 CO 0.17 0.34 -0.02 0.96 0.00 0.00 0.00 175.76 177.21 3k4u s ILE 193 N -0.02 2.08 0.53 0.00 -4.36 -0.27 -1.76 121.20 117.39 3k4u s ILE 193 Ca -0.02 -2.05 -0.17 0.00 -0.26 0.00 0.00 60.65 58.15 3k4u s ILE 193 Cb -0.14 -2.90 -0.07 0.00 1.25 0.00 0.00 42.46 40.60 3k4u s ILE 193 CO 0.03 -0.06 1.01 -1.59 0.24 0.00 0.00 174.94 174.58 3k4u s LYS 194 N -3.69 3.77 0.98 0.37 -2.85 -1.26 -1.27 119.74 115.79 3k4u s LYS 194 Ca 0.34 1.09 -0.11 0.00 -1.00 0.00 0.00 55.97 56.30 3k4u s LYS 194 Cb 0.08 -2.11 0.18 0.00 -2.06 0.00 0.00 37.83 33.92 3k4u s LYS 194 CO 0.18 -0.42 1.11 0.15 0.10 0.00 0.00 175.35 176.46 3k4u s LYS 195 N -3.89 0.54 0.00 1.78 1.02 -1.26 -4.03 119.74 113.90 3k4u s LYS 195 Ca 0.61 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.91 3k4u s LYS 195 Cb -0.12 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 3k4u s LYS 195 CO 0.30 -2.88 0.00 0.41 -0.92 0.00 0.00 175.35 172.26 3k4u n GLY 196 N 0.25 0.06 2.91 -3.33 0.00 -1.26 -5.02 105.19 98.80 3k4u n GLY 196 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3k4u n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k4u s ASP 197 N -2.03 4.86 0.05 1.61 3.68 -1.26 -4.96 116.67 118.63 3k4u s ASP 197 Ca 0.00 -3.85 0.26 0.00 2.13 0.00 0.00 52.55 51.09 3k4u s ASP 197 Cb 0.00 -1.65 0.77 0.00 -1.45 0.00 0.00 42.92 40.60 3k4u s ASP 197 CO 0.00 -0.09 1.63 -0.81 0.13 0.00 0.00 175.17 176.03 3k4u n PRO 198 N 1.98 0.09 -0.01 4.34 -0.04 -1.26 -2.82 135.00 137.28 3k4u n PRO 198 Ca 0.20 0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.53 3k4u n PRO 198 Cb 0.35 -1.58 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.74 -0.04 3.54 3.32 -1.99 -2.50 116.42 119.49 3k4u h ASP 199 Ca 0.00 -0.67 -0.09 0.00 0.02 0.00 0.00 57.03 56.29 3k4u h ASP 199 Cb 0.58 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3k4u h ASP 199 CO 0.00 1.30 -0.22 0.15 -1.72 0.00 0.00 179.24 178.75 3k4u h PHE 200 N 0.24 0.49 -0.17 4.55 3.57 -1.99 0.54 116.94 124.17 3k4u h PHE 200 Ca -0.06 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.29 3k4u h PHE 200 Cb 1.33 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 3k4u h PHE 200 CO 0.11 0.64 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.60 3k4u h LEU 201 N 0.40 0.27 -0.28 0.59 3.38 -1.52 -1.97 115.31 116.18 3k4u h LEU 201 Ca 0.06 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3k4u h LEU 201 Cb 0.61 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3k4u h LEU 201 CO 0.04 0.45 -0.86 -1.13 0.09 0.00 0.00 178.44 177.04 3k4u h ASN 202 N 0.27 0.43 -0.17 -0.43 -0.73 -0.48 -0.41 115.58 114.06 3k4u h ASN 202 Ca 0.05 -0.33 -0.04 0.00 1.87 0.00 0.00 56.30 57.85 3k4u h ASN 202 Cb 0.44 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.89 3k4u h ASN 202 CO 0.03 1.10 -0.06 -0.25 -0.37 0.00 0.00 177.43 177.88 3k4u h TRP 203 N 0.20 0.38 -0.36 0.67 7.01 -1.11 -2.74 115.95 120.00 3k4u h TRP 203 Ca -0.05 -0.09 -0.14 0.00 2.11 0.00 0.00 58.89 60.71 3k4u h TRP 203 Cb 1.47 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 28.43 3k4u h TRP 203 CO 0.05 0.62 -0.34 -0.07 -2.79 0.00 0.00 178.44 175.91 3k4u h LEU 204 N 0.03 0.91 -1.31 0.65 4.07 -1.29 0.26 115.31 118.64 3k4u h LEU 204 Ca 0.04 -0.46 -0.06 0.00 0.08 0.00 0.00 57.88 57.48 3k4u h LEU 204 Cb 0.51 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 3k4u h LEU 204 CO 0.02 1.19 -0.13 0.78 -1.08 0.00 0.00 178.44 179.22 3k4u h ASN 205 N 0.65 0.30 1.26 -0.43 2.35 -1.14 -1.57 115.58 117.00 3k4u h ASN 205 Ca 0.06 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 3k4u h ASN 205 Cb 0.92 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 3k4u h ASN 205 CO 0.08 0.46 -0.58 0.45 -1.65 0.00 0.00 177.43 176.19 3k4u h HIS 206 N 0.29 0.00 -0.14 1.19 3.86 -1.14 -2.87 115.15 116.34 3k4u h HIS 206 Ca 0.06 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.05 3k4u h HIS 206 Cb 0.41 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.89 3k4u h HIS 206 CO 0.01 0.58 -0.78 0.35 0.86 0.00 0.00 177.93 178.95 3k4u h PHE 207 N 0.00 1.05 -0.64 2.45 3.57 -0.05 -2.45 116.94 120.87 3k4u h PHE 207 Ca -0.01 -0.47 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 3k4u h PHE 207 Cb 1.37 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 3k4u h PHE 207 CO 0.00 1.30 0.29 1.25 -2.23 0.00 0.00 178.31 178.93 3k4u h LEU 208 N 0.49 0.85 -0.56 0.59 5.85 -1.38 -2.63 115.31 118.51 3k4u h LEU 208 Ca -0.06 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.40 3k4u h LEU 208 Cb 1.41 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3k4u h LEU 208 CO 0.16 0.75 -0.14 0.00 -0.34 0.00 0.00 178.44 178.87 3k4u h ALA 209 N 1.13 0.76 -0.51 1.25 0.00 -1.53 -2.74 119.26 117.62 3k4u h ALA 209 Ca 0.22 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.84 3k4u h ALA 209 Cb 0.14 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3k4u h ALA 209 CO -0.02 0.67 0.17 1.96 0.00 0.00 0.00 179.25 182.03 3k4u h GLN 210 N 0.89 0.34 -0.04 0.00 1.08 -1.29 -2.93 115.11 113.15 3k4u h GLN 210 Ca 0.13 -0.02 -0.20 0.00 -1.45 0.00 0.00 58.65 57.11 3k4u h GLN 210 Cb 0.71 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 3k4u h GLN 210 CO 0.05 0.22 -0.83 -0.84 -0.95 0.00 0.00 178.83 176.49 3k4u h ILE 211 N 0.35 1.40 0.00 2.54 3.07 -1.40 -0.19 117.51 123.28 3k4u h ILE 211 Ca 0.25 -2.31 -0.00 0.00 1.55 0.00 0.00 64.86 64.35 3k4u h ILE 211 Cb 0.28 2.27 -0.00 0.00 -0.27 0.00 0.00 36.82 39.10 3k4u h ILE 211 CO -0.26 0.69 -0.00 0.11 -1.05 0.00 0.00 178.15 177.64 3k4u h LYS 212 N 0.24 0.00 -0.01 0.16 1.57 -1.47 -2.07 116.57 114.98 3k4u h LYS 212 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3k4u h LYS 212 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 3k4u h LYS 212 CO 0.14 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.74 3k4u n HIS 213 N -3.10 0.01 0.06 -1.35 8.25 -1.08 -4.54 115.22 113.46 3k4u n HIS 213 Ca -0.02 -0.06 -0.17 0.00 -0.26 0.00 0.00 57.72 57.22 3k4u n HIS 213 Cb 0.15 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.11 3k4u n HIS 213 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 3k4u h ASP 214 N 0.60 0.38 0.00 0.41 1.82 -0.45 -3.48 116.42 115.70 3k4u h ASP 214 Ca 0.00 -0.54 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 3k4u h ASP 214 Cb 0.18 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.07 3k4u h ASP 214 CO 0.00 1.45 0.00 0.61 -1.61 0.00 0.00 179.24 179.69 3k4u n GLY 215 N 1.68 1.53 0.11 -0.78 0.00 -1.12 -4.94 105.19 101.67 3k4u n GLY 215 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 0.25 -0.70 1.61 0.02 -1.88 -1.54 113.55 111.31 3k4u h SER 216 Ca 0.00 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 3k4u h SER 216 Cb 0.00 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 3k4u h SER 216 CO 0.00 0.53 0.33 0.22 -1.14 0.00 0.00 176.83 176.77 3k4u h TYR 217 N -0.03 1.02 -0.58 3.45 3.20 -1.76 -1.79 116.97 120.48 3k4u h TYR 217 Ca 0.04 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 3k4u h TYR 217 Cb 0.41 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3k4u h TYR 217 CO 0.04 0.76 0.35 -0.44 -1.64 0.00 0.00 178.16 177.23 3k4u h ASP 218 N 0.98 0.70 -0.79 -2.11 3.45 -1.78 0.27 116.42 117.15 3k4u h ASP 218 Ca 0.24 -0.06 0.14 0.00 0.43 0.00 0.00 57.03 57.78 3k4u h ASP 218 Cb 0.13 -0.18 -0.06 0.00 -0.56 0.00 0.00 39.33 38.67 3k4u h ASP 218 CO -0.03 0.55 0.52 -0.08 -1.57 0.00 0.00 179.24 178.63 3k4u h GLU 219 N 0.78 0.51 0.16 3.56 4.81 -0.42 0.86 114.58 124.84 3k4u h GLU 219 Ca 0.21 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 59.07 3k4u h GLU 219 Cb -0.02 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3k4u h GLU 219 CO -0.04 0.33 -1.67 -0.07 -0.73 0.00 0.00 179.01 176.84 3k4u h LEU 220 N 0.52 0.54 -0.36 1.64 3.38 -1.18 -2.84 115.31 117.01 3k4u h LEU 220 Ca 0.39 -0.79 0.07 0.00 0.09 0.00 0.00 57.88 57.64 3k4u h LEU 220 Cb 0.76 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 3k4u h LEU 220 CO -0.14 1.66 -0.07 0.22 0.09 0.00 0.00 178.44 180.19 3k4u h TYR 221 N 0.09 -0.16 0.14 1.13 3.20 0.10 -2.20 116.97 119.27 3k4u h TYR 221 Ca -0.31 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.59 3k4u h TYR 221 Cb 2.08 0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.47 3k4u h TYR 221 CO 0.09 -0.14 -0.07 1.49 -1.64 0.00 0.00 178.16 177.89 3k4u h GLU 222 N 0.02 -0.18 -0.09 1.82 4.22 -1.03 0.25 114.58 119.59 3k4u h GLU 222 Ca 0.17 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.65 3k4u h GLU 222 Cb 0.26 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3k4u h GLU 222 CO -0.36 0.07 0.40 -0.09 -2.18 0.00 0.00 179.01 176.85 3k4u h ARG 223 N -0.42 0.00 0.00 1.92 2.43 -1.24 0.24 114.38 117.31 3k4u h ARG 223 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3k4u h ARG 223 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3k4u h ARG 223 CO 0.03 0.00 -0.62 0.91 -1.51 0.00 0.00 179.97 178.78 3k4u n TRP 224 N -3.04 0.00 0.76 2.20 7.02 -0.85 -4.65 117.44 118.89 3k4u n TRP 224 Ca 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.57 3k4u n TRP 224 Cb 0.48 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.26 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 -1.49 0.00 0.07 -5.99 3.72 0.88 -4.80 117.46 109.86 3k4u n PHE 225 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3k4u n PHE 225 Cb 0.31 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.47 0.70 -1.23 -4.37 0.31 -0.66 -5.00 118.33 106.61 3k4u n VAL 226 Ca 0.03 0.23 -0.36 0.00 -0.01 0.00 0.00 64.34 64.23 3k4u n VAL 226 Cb 0.29 -1.14 0.07 0.00 -0.91 0.00 0.00 33.84 32.15 3k4u n VAL 226 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3k4u n ASP 227 N -3.33 -1.24 -0.00 4.52 -0.08 0.77 -4.98 116.55 112.21 3k4u n ASP 227 Ca 0.00 0.57 0.08 0.00 -1.51 0.00 0.00 54.79 53.94 3k4u n ASP 227 Cb 0.00 -1.22 -0.12 0.00 2.34 0.00 0.00 41.12 42.12 3k4u n ASP 227 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3k4u n THR 228 N -2.47 0.00 -0.19 5.18 -1.04 -1.26 -4.67 114.28 109.83 3k4u n THR 228 Ca 0.10 -0.27 -0.01 0.00 -2.04 0.00 0.00 64.05 61.83 3k4u n THR 228 Cb 0.50 0.49 0.23 0.00 -1.82 0.00 0.00 70.33 69.72 3k4u n THR 228 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3k4u h LYS 229 N 0.00 0.95 -0.12 -2.82 1.79 -1.93 -0.74 116.57 113.69 3k4u h LYS 229 Ca 0.00 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 3k4u h LYS 229 Cb 0.62 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3k4u h LYS 229 CO 0.00 0.69 0.01 0.11 -1.08 0.00 0.00 179.45 179.18 3k4u h TRP 230 N 0.96 0.17 -0.85 -1.35 5.08 -1.83 -2.95 115.95 115.17 3k4u h TRP 230 Ca 0.24 -0.00 0.18 0.00 1.08 0.00 0.00 58.89 60.39 3k4u h TRP 230 Cb 0.01 -0.05 -0.06 0.00 -3.00 0.00 0.00 29.16 26.06 3k4u h TRP 230 CO 0.01 0.17 0.56 1.25 -1.28 0.00 0.00 178.44 179.15 3k4u h LEU 231 N 0.17 0.43 -7.30 0.11 6.46 -1.45 -2.16 115.31 111.57 3k4u h LEU 231 Ca 0.04 0.03 -0.70 0.00 -0.12 0.00 0.00 57.88 57.14 3k4u h LEU 231 Cb 0.10 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 39.90 3k4u h LEU 231 CO -0.00 0.19 2.33 -1.84 -0.62 0.00 0.00 178.44 178.50 3k4u n GLU 232 N -4.50 3.16 0.00 1.25 0.28 -1.12 -5.11 120.64 114.60 3k4u n GLU 232 Ca 0.17 -3.20 0.00 0.00 -0.16 0.00 0.00 57.16 53.98 3k4u n GLU 232 Cb 0.61 -3.36 0.00 0.00 1.43 0.00 0.00 31.44 30.12 3k4u n GLU 232 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33