#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 1.57 0.24 1.47 3.52 -1.26 -4.94 118.95 119.55 3k4u s ARG 2 Ca 0.00 -1.81 0.00 0.00 -0.13 0.00 0.00 55.73 53.79 3k4u s ARG 2 Cb 0.00 -1.11 0.00 0.00 -1.56 0.00 0.00 34.95 32.28 3k4u s ARG 2 CO 0.00 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.89 3k4u n GLY 3 N -0.61 0.98 3.24 8.12 0.00 -1.26 -4.95 105.19 110.71 3k4u n GLY 3 Ca -0.05 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 1.07 -0.37 1.61 -1.05 -1.26 -3.12 118.70 115.57 3k4u s GLU 4 Ca 0.00 -1.48 -0.16 0.00 -0.15 0.00 0.00 54.97 53.18 3k4u s GLU 4 Cb 0.00 -0.44 0.00 0.00 -0.44 0.00 0.00 34.13 33.26 3k4u s GLU 4 CO 0.00 -0.03 0.38 -1.17 0.95 0.00 0.00 175.26 175.40 3k4u s LEU 5 N -3.16 4.62 -0.03 1.83 2.96 -0.01 -4.91 118.68 119.98 3k4u s LEU 5 Ca 0.19 -0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 53.50 3k4u s LEU 5 Cb 0.05 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 3k4u s LEU 5 CO 0.02 -0.43 0.51 -0.13 -1.32 0.00 0.00 176.35 175.00 3k4u s ARG 6 N 2.04 4.22 -0.09 1.98 0.52 -1.26 -1.54 118.95 124.83 3k4u s ARG 6 Ca 0.11 0.57 -0.00 0.00 -0.52 0.00 0.00 55.73 55.90 3k4u s ARG 6 Cb -0.17 -3.33 0.02 0.00 0.52 0.00 0.00 34.95 31.99 3k4u s ARG 6 CO 0.12 0.40 -0.06 0.08 0.02 0.00 0.00 175.30 175.87 3k4u s VAL 7 N -0.23 0.83 -0.17 3.52 1.01 -0.24 -1.11 120.40 124.01 3k4u s VAL 7 Ca 0.28 -0.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 3k4u s VAL 7 Cb -0.17 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3k4u s VAL 7 CO 0.14 0.32 0.24 -0.83 0.00 0.00 0.00 175.10 174.98 3k4u s GLY 8 N 1.56 2.16 0.04 4.51 0.00 -0.48 0.74 107.32 115.85 3k4u s GLY 8 Ca 0.01 -0.52 -0.17 0.00 0.00 0.00 0.00 44.72 44.03 3k4u s GLY 8 CO -0.05 0.33 0.39 0.48 0.00 0.00 0.00 173.10 174.25 3k4u s LEU 9 N 0.39 0.50 -0.29 0.66 0.05 -1.09 -3.13 118.68 115.77 3k4u s LEU 9 Ca 0.14 -0.03 -0.08 0.00 0.05 0.00 0.00 54.13 54.21 3k4u s LEU 9 Cb -0.12 1.65 -0.01 0.00 -2.05 0.00 0.00 46.19 45.66 3k4u s LEU 9 CO 0.02 -0.65 0.11 -0.70 -0.55 0.00 0.00 176.35 174.59 3k4u s GLU 10 N -2.43 3.31 0.31 1.48 2.12 -1.22 0.24 118.70 122.50 3k4u s GLU 10 Ca -0.06 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.26 3k4u s GLU 10 Cb -0.01 -3.46 -0.11 0.00 0.26 0.00 0.00 34.13 30.81 3k4u s GLU 10 CO -0.02 -0.38 1.50 -2.14 -0.54 0.00 0.00 175.26 173.67 3k4u s PRO 11 N 1.58 4.17 0.00 4.30 0.02 -1.26 -4.25 135.00 139.56 3k4u s PRO 11 Ca 0.04 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3k4u s PRO 11 Cb -0.17 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3k4u s PRO 11 CO 0.04 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 3k4u n GLY 12 N 1.48 1.14 3.48 0.52 0.00 0.77 -4.94 105.19 107.64 3k4u n GLY 12 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3k4u n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k4u s TYR 13 N -0.14 3.08 0.29 1.61 6.04 -0.63 -4.83 117.35 122.76 3k4u s TYR 13 Ca 0.00 -1.50 -0.29 0.00 0.04 0.00 0.00 57.07 55.32 3k4u s TYR 13 Cb 0.00 -4.41 -0.10 0.00 -1.04 0.00 0.00 41.96 36.41 3k4u s TYR 13 CO 0.00 -1.57 1.40 -0.51 -1.54 0.00 0.00 175.55 173.33 3k4u s LEU 14 N 2.95 4.39 -0.42 6.97 1.02 -1.25 0.05 118.68 132.39 3k4u s LEU 14 Ca 0.39 2.71 0.05 0.00 0.02 0.00 0.00 54.13 57.30 3k4u s LEU 14 Cb -0.03 -3.64 0.51 0.00 0.02 0.00 0.00 46.19 43.06 3k4u s LEU 14 CO -0.06 -0.66 1.65 -0.81 0.02 0.00 0.00 176.35 176.49 3k4u n PRO 15 N 1.68 2.47 -0.09 1.29 -0.04 -1.26 -3.07 135.00 135.98 3k4u n PRO 15 Ca 0.04 -3.37 -0.17 0.00 -0.04 0.00 0.00 63.50 59.96 3k4u n PRO 15 Cb 0.41 -2.10 -0.11 0.00 -0.04 0.00 0.00 33.50 31.66 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 1.48 0.00 -3.70 0.54 0.04 -0.70 -1.30 116.94 113.30 3k4u h PHE 16 Ca 0.43 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 61.07 3k4u h PHE 16 Cb 1.65 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 39.61 3k4u h PHE 16 CO 1.22 1.16 -0.52 -1.21 -0.60 0.00 0.00 178.31 178.36 3k4u s GLU 17 N -2.27 0.54 -0.14 1.51 8.01 -0.59 -0.31 118.70 125.45 3k4u s GLU 17 Ca -0.23 -0.62 -0.02 0.00 0.01 0.00 0.00 54.97 54.11 3k4u s GLU 17 Cb 0.02 0.22 -0.02 0.00 -4.31 0.00 0.00 34.13 30.04 3k4u s GLU 17 CO 0.58 -0.13 -0.08 0.21 0.01 0.00 0.00 175.26 175.84 3k4u s LYS 19 N -2.12 3.53 0.57 1.61 2.20 -1.26 -0.16 119.74 124.10 3k4u s LYS 19 Ca -0.09 -0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 54.90 3k4u s LYS 19 Cb -0.04 -2.78 0.12 0.00 -1.51 0.00 0.00 37.83 33.62 3k4u s LYS 19 CO -0.02 0.22 0.78 -0.40 -0.36 0.00 0.00 175.35 175.57 3k4u n ASP 20 N 3.56 0.84 -0.21 1.43 5.75 -0.66 -4.90 116.55 122.35 3k4u n ASP 20 Ca -0.18 -1.76 -0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3k4u n ASP 20 Cb 0.53 -0.53 0.11 0.00 -1.03 0.00 0.00 41.12 40.20 3k4u n ASP 20 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 3k4u h LYS 21 N 0.00 0.50 0.00 0.11 2.10 -1.88 0.27 116.57 117.66 3k4u h LYS 21 Ca -0.26 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.27 3k4u h LYS 21 Cb 0.90 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.10 3k4u h LYS 21 CO 0.26 0.33 -0.45 -0.22 -2.00 0.00 0.00 179.45 177.36 3k4u h LYS 22 N 0.51 0.00 0.00 0.07 3.64 -1.97 -3.47 116.57 115.35 3k4u h LYS 22 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3k4u h LYS 22 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3k4u h LYS 22 CO -0.26 0.45 0.00 0.41 -2.27 0.00 0.00 179.45 177.78 3k4u n GLY 23 N 0.22 1.27 3.83 5.01 0.00 0.08 -5.11 105.19 110.49 3k4u n GLY 23 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 6.96 -0.02 1.61 0.01 -1.26 -4.72 114.94 115.52 3k4u s ASN 24 Ca 0.00 1.24 -0.27 0.00 -0.71 0.00 0.00 52.86 53.12 3k4u s ASN 24 Cb 0.00 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 3k4u s ASN 24 CO 0.00 0.11 0.83 0.54 -1.51 0.00 0.00 177.10 177.07 3k4u s VAL 25 N -1.42 4.92 0.14 1.60 0.11 -1.26 -1.65 120.40 122.84 3k4u s VAL 25 Ca 0.38 1.74 0.01 0.00 -2.93 0.00 0.00 61.98 61.18 3k4u s VAL 25 Cb -0.16 -4.17 -0.00 0.00 -1.53 0.00 0.00 36.38 30.51 3k4u s VAL 25 CO 0.20 0.23 0.04 2.30 -3.33 0.00 0.00 175.10 174.54 3k4u n ILE 26 N 3.68 0.00 0.00 7.04 -5.35 -1.26 -4.92 119.36 118.55 3k4u n ILE 26 Ca 0.02 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 3k4u n ILE 26 Cb 0.51 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 3k4u n ILE 26 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k4u n GLY 27 N 1.59 1.22 0.41 3.28 0.00 -1.26 -3.83 105.19 106.59 3k4u n GLY 27 Ca -0.03 -2.19 0.26 0.00 0.00 0.00 0.00 46.02 44.06 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 0.69 0.02 1.61 3.57 -1.17 -1.49 116.94 120.16 3k4u h PHE 28 Ca 0.00 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.32 3k4u h PHE 28 Cb 0.00 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 3k4u h PHE 28 CO 0.00 -0.03 -0.98 -0.44 -2.23 0.00 0.00 178.31 174.64 3k4u h ASP 29 N 0.33 0.09 -0.18 0.41 3.45 -0.90 -2.77 116.42 116.86 3k4u h ASP 29 Ca 0.67 -0.09 -0.09 0.00 0.43 0.00 0.00 57.03 57.95 3k4u h ASP 29 Cb 1.74 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 40.48 3k4u h ASP 29 CO -0.37 1.01 -0.23 0.58 -1.57 0.00 0.00 179.24 178.66 3k4u h VAL 30 N 0.02 1.34 0.00 -1.35 2.07 -1.46 -1.53 116.25 115.35 3k4u h VAL 30 Ca -0.03 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 3k4u h VAL 30 Cb 1.69 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 3k4u h VAL 30 CO 0.14 0.43 -0.13 0.44 0.02 0.00 0.00 177.57 178.47 3k4u h ASP 31 N 0.13 0.00 0.41 0.57 3.32 -1.37 0.32 116.42 119.80 3k4u h ASP 31 Ca 0.02 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.78 3k4u h ASP 31 Cb 0.79 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.36 3k4u h ASP 31 CO 0.05 0.13 -1.31 0.25 -1.72 0.00 0.00 179.24 176.65 3k4u h LEU 32 N 0.00 0.65 -0.76 1.55 5.85 -1.39 -1.86 115.31 119.34 3k4u h LEU 32 Ca -0.00 -0.66 -0.09 0.00 0.84 0.00 0.00 57.88 57.97 3k4u h LEU 32 Cb 0.31 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3k4u h LEU 32 CO 0.02 1.51 -0.00 0.00 -0.34 0.00 0.00 178.44 179.62 3k4u h ALA 33 N 0.40 0.96 -0.70 1.25 0.00 -0.17 -3.02 119.26 117.98 3k4u h ALA 33 Ca -0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3k4u h ALA 33 Cb 2.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 3k4u h ALA 33 CO 0.23 0.63 0.42 -0.09 0.00 0.00 0.00 179.25 180.45 3k4u h ARG 34 N 0.87 0.94 -1.21 0.00 2.43 -0.91 0.87 114.38 117.38 3k4u h ARG 34 Ca 0.16 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3k4u h ARG 34 Cb 0.51 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3k4u h ARG 34 CO 0.03 0.66 0.00 0.39 -1.51 0.00 0.00 179.97 179.53 3k4u n GLU 35 N -4.40 0.41 0.00 0.20 -0.58 -0.71 -2.49 120.64 113.07 3k4u n GLU 35 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3k4u n GLU 35 Cb 0.06 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 0.63 0.00 0.14 0.62 0.00 0.30 -1.47 120.51 120.73 3k4u n ALA 37 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3k4u n ALA 37 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.56 -1.93 0.00 3.11 -1.63 0.16 116.57 115.72 3k4u h LYS 38 Ca 0.00 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 3k4u h LYS 38 Cb 0.00 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 3k4u h LYS 38 CO 0.00 -0.37 0.00 0.00 -2.81 0.00 0.00 179.45 176.27 3k4u n ALA 39 N -2.68 1.69 -2.03 5.00 0.00 -0.54 -4.37 120.51 117.58 3k4u n ALA 39 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 3k4u n ALA 39 Cb 0.33 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 1.32 0.81 3.09 0.00 0.00 -0.84 -5.24 105.19 104.33 3k4u n GLY 41 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.20 0.63 1.61 0.11 -0.02 -4.99 120.40 117.95 3k4u s VAL 42 Ca 0.02 -1.61 -0.08 0.00 -2.93 0.00 0.00 61.98 57.39 3k4u s VAL 42 Cb 0.02 -1.32 0.02 0.00 -1.53 0.00 0.00 36.38 33.56 3k4u s VAL 42 CO -0.01 -0.89 0.97 -0.54 -3.33 0.00 0.00 175.10 171.30 3k4u s LYS 43 N -3.56 2.83 -0.10 1.54 1.02 -1.18 -4.08 119.74 116.21 3k4u s LYS 43 Ca 0.03 0.11 0.04 0.00 0.02 0.00 0.00 55.97 56.17 3k4u s LYS 43 Cb 0.05 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 3k4u s LYS 43 CO -0.09 -0.85 -0.23 -1.17 -0.92 0.00 0.00 175.35 172.09 3k4u s LEU 44 N -5.12 2.07 -0.23 3.17 2.96 -1.26 -0.83 118.68 119.44 3k4u s LEU 44 Ca 0.56 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3k4u s LEU 44 Cb -0.11 -1.38 0.06 0.00 0.50 0.00 0.00 46.19 45.26 3k4u s LEU 44 CO 0.47 0.15 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.83 3k4u s LYS 45 N 0.38 1.76 0.04 1.98 2.20 -0.59 -4.96 119.74 120.56 3k4u s LYS 45 Ca -0.18 -0.98 -0.30 0.00 -0.36 0.00 0.00 55.97 54.15 3k4u s LYS 45 Cb -0.18 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 3k4u s LYS 45 CO 0.08 -0.55 1.00 -0.51 -0.36 0.00 0.00 175.35 175.01 3k4u s LEU 46 N 1.37 4.41 -0.55 5.43 1.43 -1.26 -1.07 118.68 128.43 3k4u s LEU 46 Ca -0.05 1.75 -0.01 0.00 -1.03 0.00 0.00 54.13 54.79 3k4u s LEU 46 Cb -0.18 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.60 3k4u s LEU 46 CO -0.07 -0.23 0.35 -0.69 0.23 0.00 0.00 176.35 175.94 3k4u s VAL 47 N 0.69 3.37 0.34 -1.59 1.01 0.23 -4.87 120.40 119.57 3k4u s VAL 47 Ca 0.51 -2.82 -0.29 0.00 0.00 0.00 0.00 61.98 59.39 3k4u s VAL 47 Cb -0.23 -3.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.79 3k4u s VAL 47 CO 0.29 -0.81 1.46 -2.16 0.00 0.00 0.00 175.10 173.87 3k4u s PRO 48 N 0.18 4.19 -0.12 2.72 0.05 -1.26 -2.65 135.00 138.11 3k4u s PRO 48 Ca 0.15 2.46 -0.09 0.00 0.05 0.00 0.00 61.00 63.57 3k4u s PRO 48 Cb -0.22 -3.02 0.04 0.00 0.05 0.00 0.00 34.50 31.35 3k4u s PRO 48 CO -0.03 -0.45 0.31 0.99 0.05 0.00 0.00 177.00 177.86 3k4u s THR 49 N -0.80 -0.02 0.45 1.26 2.01 0.14 -4.88 115.64 113.80 3k4u s THR 49 Ca 0.54 0.06 -0.25 0.00 0.31 0.00 0.00 61.69 62.35 3k4u s THR 49 Cb -0.45 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 71.53 3k4u s THR 49 CO 0.56 0.02 1.39 -1.54 -0.69 0.00 0.00 174.62 174.37 3k4u n SER 50 N 3.54 3.13 -0.23 3.53 3.41 -1.26 -3.45 113.62 122.28 3k4u n SER 50 Ca -0.18 1.11 -0.06 0.00 -0.26 0.00 0.00 58.87 59.48 3k4u n SER 50 Cb 0.56 -1.58 0.05 0.00 -0.26 0.00 0.00 64.21 62.98 3k4u n SER 50 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3k4u h TRP 51 N 2.21 0.82 0.00 7.33 2.91 -1.97 -1.35 115.95 125.90 3k4u h TRP 51 Ca -0.50 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.54 3k4u h TRP 51 Cb 1.28 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.65 3k4u h TRP 51 CO 0.49 0.52 0.00 -0.40 -1.03 0.00 0.00 178.44 178.02 3k4u n ASP 52 N -4.63 0.00 0.00 2.65 3.85 -1.26 -2.55 116.55 114.61 3k4u n ASP 52 Ca 0.05 -0.91 0.00 0.00 -0.71 0.00 0.00 54.79 53.23 3k4u n ASP 52 Cb 0.02 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.79 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 -0.05 0.17 0.19 6.12 0.00 -0.51 -4.77 105.19 106.34 3k4u n GLY 53 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -0.39 -0.73 0.99 3.38 -1.52 0.98 115.31 118.02 3k4u h LEU 54 Ca 0.00 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.11 3k4u h LEU 54 Cb 0.03 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 3k4u h LEU 54 CO 0.00 -0.14 -0.30 0.40 0.09 0.00 0.00 178.44 178.49 3k4u h ILE 55 N -0.72 0.15 0.00 1.22 2.04 -1.90 0.70 117.51 119.01 3k4u h ILE 55 Ca -0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3k4u h ILE 55 Cb 0.35 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3k4u h ILE 55 CO 0.08 0.00 -0.16 -0.65 0.00 0.00 0.00 178.15 177.42 3k4u h PRO 56 N -0.08 0.00 -0.14 2.37 0.10 -1.84 -1.42 132.00 130.98 3k4u h PRO 56 Ca 0.30 0.00 -0.14 0.00 0.10 0.00 0.00 66.00 66.26 3k4u h PRO 56 Cb 0.57 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 31.66 3k4u h PRO 56 CO -0.78 0.16 -0.50 0.78 0.10 0.00 0.00 178.00 177.76 3k4u h GLY 57 N 0.80 0.41 0.62 -0.55 0.00 0.64 -1.45 103.07 103.54 3k4u h GLY 57 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3k4u h GLY 57 CO 0.02 0.41 -0.09 -2.00 0.00 0.00 0.00 176.54 174.88 3k4u h LEU 58 N 0.30 -0.20 -0.41 3.11 5.85 0.57 0.66 115.31 125.20 3k4u h LEU 58 Ca 0.01 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3k4u h LEU 58 Cb 0.98 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3k4u h LEU 58 CO 0.08 0.19 0.20 0.58 -0.34 0.00 0.00 178.44 179.16 3k4u h VAL 59 N -0.63 1.17 0.00 1.05 2.07 -1.33 -0.64 116.25 117.94 3k4u h VAL 59 Ca -0.02 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3k4u h VAL 59 Cb 0.46 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3k4u h VAL 59 CO 0.04 0.18 0.00 0.41 0.02 0.00 0.00 177.57 178.22 3k4u n THR 60 N -4.70 1.05 -1.59 2.57 -1.04 -0.55 -4.88 114.28 105.14 3k4u n THR 60 Ca 0.00 0.55 -0.04 0.00 -2.04 0.00 0.00 64.05 62.52 3k4u n THR 60 Cb 0.10 -1.52 -0.01 0.00 -1.82 0.00 0.00 70.33 67.08 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 -2.17 -0.31 0.25 -2.82 1.02 -0.25 -4.94 120.64 111.41 3k4u n GLU 61 Ca -0.00 0.43 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 3k4u n GLU 61 Cb 0.09 -4.14 0.59 0.00 -0.02 0.00 0.00 31.44 27.97 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 0.00 3.49 6.56 0.10 -3.47 116.57 123.25 3k4u h LYS 62 Ca -0.09 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.43 3k4u h LYS 62 Cb 0.66 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.32 3k4u h LYS 62 CO 0.12 0.16 0.14 1.97 -2.06 0.00 0.00 179.45 179.78 3k4u n PHE 63 N -3.41 -1.87 0.33 -1.35 1.16 -1.19 -4.93 117.46 106.20 3k4u n PHE 63 Ca -0.00 -1.50 0.06 0.00 -1.87 0.00 0.00 57.45 54.13 3k4u n PHE 63 Cb 0.35 0.65 -0.08 0.00 -1.61 0.00 0.00 39.48 38.78 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 -1.48 1.22 -3.58 5.98 8.00 -0.27 -4.62 116.55 121.80 3k4u n ASP 64 Ca -0.05 -0.47 -0.17 0.00 0.71 0.00 0.00 54.79 54.82 3k4u n ASP 64 Cb 0.45 1.22 -0.07 0.00 -0.02 0.00 0.00 41.12 42.71 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 -2.41 0.01 -0.29 0.53 2.07 -1.22 -4.62 121.20 115.28 3k4u s ILE 65 Ca 0.01 -0.12 -0.03 0.00 -1.41 0.00 0.00 60.65 59.10 3k4u s ILE 65 Cb 0.08 -0.90 0.04 0.00 0.13 0.00 0.00 42.46 41.81 3k4u s ILE 65 CO 0.49 -0.07 0.01 -0.63 -1.91 0.00 0.00 174.94 172.83 3k4u s ILE 66 N -1.21 3.17 -0.36 2.00 1.01 -0.52 -1.38 121.20 123.91 3k4u s ILE 66 Ca -0.12 -1.18 -0.02 0.00 0.00 0.00 0.00 60.65 59.33 3k4u s ILE 66 Cb -0.01 -2.74 0.08 0.00 0.01 0.00 0.00 42.46 39.80 3k4u s ILE 66 CO 0.08 -0.02 0.11 -0.63 0.00 0.00 0.00 174.94 174.49 3k4u s ILE 67 N 1.32 3.14 0.00 2.92 1.01 -1.18 -2.79 121.20 125.62 3k4u s ILE 67 Ca -0.03 -1.77 0.01 0.00 0.00 0.00 0.00 60.65 58.87 3k4u s ILE 67 Cb -0.19 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.29 3k4u s ILE 67 CO -0.01 -0.44 0.89 -0.24 0.00 0.00 0.00 174.94 175.14 3k4u n SER 68 N 4.60 0.03 -1.06 3.58 2.88 -1.26 -4.68 113.62 117.71 3k4u n SER 68 Ca -0.06 -1.76 0.00 0.00 -1.33 0.00 0.00 58.87 55.72 3k4u n SER 68 Cb 0.42 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.02 -3.75 3.09 0.46 0.00 -1.26 -4.90 105.19 98.86 3k4u n GLY 69 Ca -0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.12 1.01 -0.45 2.61 2.01 -1.26 -4.86 115.64 114.58 3k4u s THR 71 Ca 0.00 -0.54 -0.26 0.00 0.31 0.00 0.00 61.69 61.19 3k4u s THR 71 Cb 0.00 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.70 3k4u s THR 71 CO 0.00 0.28 0.97 -0.63 -0.69 0.00 0.00 174.62 174.55 3k4u s ILE 72 N -0.30 4.44 0.21 1.82 1.01 -0.47 -4.75 121.20 123.16 3k4u s ILE 72 Ca 0.05 0.92 0.09 0.00 0.00 0.00 0.00 60.65 61.70 3k4u s ILE 72 Cb -0.05 -4.45 -0.05 0.00 0.01 0.00 0.00 42.46 37.92 3k4u s ILE 72 CO -0.00 -0.82 -0.16 -0.94 0.00 0.00 0.00 174.94 173.02 3k4u s SER 73 N 2.24 2.76 0.29 3.58 1.04 -1.26 -4.83 113.70 117.51 3k4u s SER 73 Ca 0.39 -1.01 -0.02 0.00 0.48 0.00 0.00 55.95 55.80 3k4u s SER 73 Cb -0.10 -0.17 0.43 0.00 0.10 0.00 0.00 66.02 66.28 3k4u s SER 73 CO 0.26 -0.12 1.92 1.56 0.98 0.00 0.00 173.24 177.84 3k4u h GLN 74 N 2.57 1.00 0.57 4.02 7.50 -1.97 0.18 115.11 128.98 3k4u h GLN 74 Ca -0.39 -0.11 -0.02 0.00 0.50 0.00 0.00 58.65 58.64 3k4u h GLN 74 Cb 1.23 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.55 3k4u h GLN 74 CO 0.61 0.73 -0.38 1.49 -1.50 0.00 0.00 178.83 179.77 3k4u h GLU 75 N 1.01 -0.88 -0.95 1.46 4.81 -2.01 -2.75 114.58 115.27 3k4u h GLU 75 Ca 0.26 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 3k4u h GLU 75 Cb 0.02 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 3k4u h GLU 75 CO -0.04 -0.59 0.63 0.00 -0.73 0.00 0.00 179.01 178.28 3k4u h ARG 76 N -0.92 1.24 0.00 1.92 3.08 -1.91 -2.25 114.38 115.55 3k4u h ARG 76 Ca -0.07 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3k4u h ARG 76 Cb 0.76 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3k4u h ARG 76 CO 0.05 0.82 0.00 -1.71 -1.07 0.00 0.00 179.97 178.05 3k4u n ASN 77 N -4.43 0.46 0.19 7.04 4.05 0.62 -1.02 115.26 122.16 3k4u n ASN 77 Ca 0.11 0.67 0.04 0.00 0.45 0.00 0.00 54.58 55.85 3k4u n ASN 77 Cb 0.02 -0.74 0.37 0.00 1.23 0.00 0.00 39.78 40.66 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 -1.11 -3.31 115.31 115.47 3k4u h LEU 78 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3k4u h LEU 78 Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3k4u h LEU 78 CO 0.00 0.38 -2.12 0.54 0.09 0.00 0.00 178.44 177.32 3k4u n ARG 79 N -3.88 0.79 -3.75 1.13 1.74 -0.19 -5.00 116.66 107.50 3k4u n ARG 79 Ca -0.01 -0.09 -0.13 0.00 -0.77 0.00 0.00 57.85 56.84 3k4u n ARG 79 Cb 0.44 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.89 0.05 0.40 1.55 -7.23 -1.09 -4.58 120.40 106.61 3k4u s VAL 80 Ca -0.08 -0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 59.56 3k4u s VAL 80 Cb 0.09 -0.61 -0.07 0.00 0.56 0.00 0.00 36.38 36.35 3k4u s VAL 80 CO 0.80 -0.22 0.78 0.20 -0.31 0.00 0.00 175.10 176.35 3k4u s ASN 81 N -1.16 6.57 -0.08 4.85 0.01 -0.16 -4.21 114.94 120.76 3k4u s ASN 81 Ca -0.12 1.18 0.04 0.00 -0.71 0.00 0.00 52.86 53.25 3k4u s ASN 81 Cb -0.05 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.27 3k4u s ASN 81 CO 0.04 -0.38 -0.19 -0.36 -1.51 0.00 0.00 177.10 174.70 3k4u s PHE 82 N -2.33 2.07 1.18 2.20 0.08 -1.26 -1.53 117.98 118.39 3k4u s PHE 82 Ca 0.52 -0.78 -0.14 0.00 0.12 0.00 0.00 56.93 56.65 3k4u s PHE 82 Cb -0.10 -1.41 0.29 0.00 -0.57 0.00 0.00 43.02 41.22 3k4u s PHE 82 CO 0.29 -0.33 1.02 0.08 -0.10 0.00 0.00 175.22 176.19 3k4u s VAL 83 N 0.39 1.95 0.76 -0.44 1.01 -0.51 -4.99 120.40 118.57 3k4u s VAL 83 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 3k4u s VAL 83 Cb -0.16 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.16 3k4u s VAL 83 CO 0.06 0.00 1.17 -1.61 0.00 0.00 0.00 175.10 174.72 3k4u s GLU 84 N -4.56 2.03 0.49 2.72 0.41 -1.26 -4.52 118.70 114.01 3k4u s GLU 84 Ca 0.68 1.59 -0.22 0.00 -0.41 0.00 0.00 54.97 56.62 3k4u s GLU 84 Cb -0.24 -1.84 -0.07 0.00 -1.78 0.00 0.00 34.13 30.21 3k4u s GLU 84 CO 0.64 -1.88 1.15 -1.25 -0.49 0.00 0.00 175.26 173.43 3k4u s PRO 85 N -4.20 3.61 -0.00 0.39 0.04 -1.26 -4.62 135.00 128.95 3k4u s PRO 85 Ca 0.70 1.71 0.16 0.00 0.04 0.00 0.00 61.00 63.62 3k4u s PRO 85 Cb -0.25 -2.26 -0.19 0.00 0.04 0.00 0.00 34.50 31.84 3k4u s PRO 85 CO 0.48 -0.66 0.64 2.48 0.04 0.00 0.00 177.00 179.98 3k4u n TYR 86 N -0.79 0.00 -3.48 0.56 -0.00 -1.03 -4.98 117.16 107.43 3k4u n TYR 86 Ca 0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.86 3k4u n TYR 86 Cb 0.49 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.34 39.73 3k4u n TYR 86 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.86 175.36 3k4u s ILE 87 N -2.67 0.00 -0.15 -3.48 2.07 -1.26 -5.07 121.20 110.64 3k4u s ILE 87 Ca 0.04 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.29 3k4u s ILE 87 Cb 0.12 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.73 3k4u s ILE 87 CO 0.68 0.00 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.83 3k4u s VAL 88 N -2.69 1.87 0.38 4.00 1.01 -1.26 -1.45 120.40 122.25 3k4u s VAL 88 Ca -0.01 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.21 3k4u s VAL 88 Cb -0.01 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 3k4u s VAL 88 CO -0.05 0.51 0.00 -0.69 0.00 0.00 0.00 175.10 174.87 3k4u s VAL 89 N 1.14 2.23 -0.03 2.92 1.01 0.15 -4.95 120.40 122.86 3k4u s VAL 89 Ca -0.01 -2.02 -0.10 0.00 0.00 0.00 0.00 61.98 59.86 3k4u s VAL 89 Cb -0.14 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.40 3k4u s VAL 89 CO -0.07 -0.10 0.21 -0.83 0.00 0.00 0.00 175.10 174.31 3k4u s GLY 90 N -3.71 -0.07 0.34 4.51 0.00 -1.26 -0.33 107.32 106.81 3k4u s GLY 90 Ca 0.35 0.23 -0.26 0.00 0.00 0.00 0.00 44.72 45.04 3k4u s GLY 90 CO 0.18 0.09 1.04 1.62 0.00 0.00 0.00 173.10 176.03 3k4u s GLN 91 N -0.91 4.40 0.24 2.90 2.00 -1.26 -0.15 119.66 126.88 3k4u s GLN 91 Ca -0.10 1.57 -0.15 0.00 -2.00 0.00 0.00 55.36 54.68 3k4u s GLN 91 Cb -0.05 -2.81 0.01 0.00 0.80 0.00 0.00 33.01 30.96 3k4u s GLN 91 CO 0.02 0.06 0.52 -1.54 -0.50 0.00 0.00 175.29 173.85 3k4u s SER 92 N -1.35 -0.15 -0.05 6.67 1.04 0.31 0.08 113.70 120.25 3k4u s SER 92 Ca 0.52 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 3k4u s SER 92 Cb -0.25 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 3k4u s SER 92 CO 0.31 -1.15 0.04 -0.76 0.98 0.00 0.00 173.24 172.66 3k4u s LEU 93 N -2.97 3.74 -0.30 2.42 1.43 -1.05 -1.75 118.68 120.20 3k4u s LEU 93 Ca 0.17 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3k4u s LEU 93 Cb -0.02 -2.02 0.07 0.00 0.03 0.00 0.00 46.19 44.26 3k4u s LEU 93 CO 0.06 0.33 -0.03 -0.76 0.23 0.00 0.00 176.35 176.17 3k4u s LEU 94 N -1.29 3.95 0.21 1.79 1.43 0.14 -2.27 118.68 122.66 3k4u s LEU 94 Ca 0.18 -1.59 0.08 0.00 -1.03 0.00 0.00 54.13 51.77 3k4u s LEU 94 Cb -0.12 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3k4u s LEU 94 CO 0.07 -0.27 -0.00 0.68 0.23 0.00 0.00 176.35 177.06 3k4u s VAL 95 N 1.09 3.60 0.36 -1.59 -7.23 0.12 0.63 120.40 117.39 3k4u s VAL 95 Ca -0.03 -1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 58.24 3k4u s VAL 95 Cb -0.20 -2.86 -0.12 0.00 0.56 0.00 0.00 36.38 33.77 3k4u s VAL 95 CO -0.05 -0.22 1.39 1.17 -0.31 0.00 0.00 175.10 177.08 3k4u n LYS 96 N -0.44 2.39 -1.66 4.82 0.00 -0.75 0.55 118.16 123.09 3k4u n LYS 96 Ca -0.09 0.84 -0.52 0.00 0.00 0.00 0.00 58.31 58.54 3k4u n LYS 96 Cb 0.57 -2.50 -0.06 0.00 0.00 0.00 0.00 35.03 33.03 3k4u n LYS 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3k4u n LYS 97 N 0.46 1.44 0.00 1.64 4.81 -1.13 -2.86 118.16 122.52 3k4u n LYS 97 Ca 0.03 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 3k4u n LYS 97 Cb 0.38 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.20 3k4u n LYS 97 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k4u n GLY 98 N 3.49 3.40 1.62 3.14 0.00 -1.26 -4.92 105.19 110.66 3k4u n GLY 98 Ca 0.22 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 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 4.85 0.10 0.99 -0.00 -1.14 -3.21 117.00 118.60 3k4u n LEU 99 Ca 0.00 -2.54 0.03 0.00 -0.00 0.00 0.00 56.01 53.51 3k4u n LEU 99 Cb 0.00 -0.68 -0.00 0.00 -0.00 0.00 0.00 43.42 42.74 3k4u n LEU 99 CO 0.00 0.74 0.18 1.05 -0.00 0.00 0.00 177.39 179.37 3k4u h GLU 100 N 0.89 0.00 -6.96 1.47 9.09 -1.92 -3.46 114.58 113.70 3k4u h GLU 100 Ca 0.29 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 59.21 3k4u h GLU 100 Cb 1.93 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 29.05 3k4u h GLU 100 CO 0.56 0.33 0.43 0.15 0.05 0.00 0.00 179.01 180.53 3k4u s LYS 101 N -3.02 4.12 0.00 1.06 -0.14 -1.20 -3.20 119.74 117.37 3k4u s LYS 101 Ca 0.01 1.58 0.00 0.00 -1.36 0.00 0.00 55.97 56.20 3k4u s LYS 101 Cb 0.08 -2.56 0.00 0.00 -1.68 0.00 0.00 37.83 33.67 3k4u s LYS 101 CO 0.77 -0.19 0.00 0.41 -0.76 0.00 0.00 175.35 175.58 3k4u n GLY 102 N 0.41 1.52 3.76 -3.33 0.00 -1.26 -5.01 105.19 101.27 3k4u n GLY 102 Ca 0.05 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3k4u n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k4u n VAL 103 N 0.00 3.07 0.00 1.61 0.24 -1.19 -4.95 118.33 117.11 3k4u n VAL 103 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3k4u n VAL 103 Cb 0.00 -1.79 0.00 0.00 -1.47 0.00 0.00 33.84 30.58 3k4u n VAL 103 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3k4u n LYS 104 N -0.41 2.22 -3.88 7.34 4.76 -1.26 -5.08 118.16 121.85 3k4u n LYS 104 Ca 0.07 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.41 3k4u n LYS 104 Cb 0.42 -0.82 -0.06 0.00 -1.84 0.00 0.00 35.03 32.74 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 -1.27 -0.09 0.40 4.39 0.15 -1.26 -5.05 113.70 110.97 3k4u s SER 105 Ca 0.00 -0.73 0.09 0.00 0.70 0.00 0.00 55.95 56.01 3k4u s SER 105 Cb 0.00 0.51 0.82 0.00 -1.71 0.00 0.00 66.02 65.64 3k4u s SER 105 CO 0.00 -0.98 1.97 0.10 1.20 0.00 0.00 173.24 175.52 3k4u h TYR 106 N 2.38 0.34 -0.80 3.44 -0.00 -1.98 -3.27 116.97 117.08 3k4u h TYR 106 Ca -0.30 -0.02 0.20 0.00 -0.00 0.00 0.00 58.73 58.61 3k4u h TYR 106 Cb 1.24 -0.10 -0.05 0.00 -0.00 0.00 0.00 36.73 37.82 3k4u h TYR 106 CO 0.38 0.35 0.55 0.87 -0.00 0.00 0.00 178.16 180.31 3k4u h LYS 107 N 0.33 0.21 -0.12 0.10 1.57 -1.96 -1.18 116.57 115.52 3k4u h LYS 107 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3k4u h LYS 107 Cb 0.22 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3k4u h LYS 107 CO 0.00 0.14 0.00 -0.40 -0.57 0.00 0.00 179.45 178.63 3k4u n ASP 108 N -4.41 0.12 -0.48 0.86 5.68 -1.23 -0.91 116.55 116.16 3k4u n ASP 108 Ca 0.16 -1.58 0.05 0.00 -0.50 0.00 0.00 54.79 52.93 3k4u n ASP 108 Cb 0.72 -0.06 0.08 0.00 -1.14 0.00 0.00 41.12 40.72 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 -0.41 2.24 -4.01 -2.12 7.99 -0.45 -4.80 117.00 115.44 3k4u n LEU 109 Ca 0.00 -1.37 -0.43 0.00 -0.01 0.00 0.00 56.01 54.20 3k4u n LEU 109 Cb 0.03 -0.08 0.01 0.00 -0.11 0.00 0.00 43.42 43.26 3k4u n LEU 109 CO 0.00 0.49 1.48 -0.67 -1.51 0.00 0.00 177.39 177.18 3k4u n ASP 110 N 0.53 5.68 -4.24 -1.43 2.03 -0.09 -4.85 116.55 114.19 3k4u n ASP 110 Ca 0.08 -3.22 -0.27 0.00 0.52 0.00 0.00 54.79 51.90 3k4u n ASP 110 Cb 0.32 -1.39 -0.15 0.00 -0.72 0.00 0.00 41.12 39.17 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 -0.94 1.65 0.07 -0.67 -0.14 -1.26 -4.66 119.74 113.79 3k4u s LYS 111 Ca 0.36 -0.82 0.05 0.00 -1.36 0.00 0.00 55.97 54.19 3k4u s LYS 111 Cb 0.05 -1.65 0.25 0.00 -1.68 0.00 0.00 37.83 34.80 3k4u s LYS 111 CO 0.04 0.44 1.12 -2.30 -0.76 0.00 0.00 175.35 173.89 3k4u n PRO 112 N 2.34 0.03 0.15 -1.68 -0.02 -1.26 -1.04 135.00 133.52 3k4u n PRO 112 Ca -0.16 0.51 0.03 0.00 -2.02 0.00 0.00 63.50 61.86 3k4u n PRO 112 Cb 0.53 -1.63 0.15 0.00 -0.02 0.00 0.00 33.50 32.53 3k4u n PRO 112 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3k4u h GLU 113 N 0.00 0.00 -5.98 -0.52 5.08 -1.95 -3.41 114.58 107.80 3k4u h GLU 113 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 3k4u h GLU 113 Cb 0.06 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 3k4u h GLU 113 CO 0.00 0.51 -0.55 -0.51 -1.00 0.00 0.00 179.01 177.46 3k4u s LEU 114 N -6.80 4.07 -0.26 1.33 1.43 -0.20 -4.97 118.68 113.28 3k4u s LEU 114 Ca 0.02 0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 53.23 3k4u s LEU 114 Cb 0.10 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 3k4u s LEU 114 CO 0.73 0.23 0.06 -0.89 0.23 0.00 0.00 176.35 176.71 3k4u s THR 115 N -1.32 4.11 -0.13 5.49 2.01 -1.26 -1.03 115.64 123.52 3k4u s THR 115 Ca 0.27 -0.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 3k4u s THR 115 Cb -0.12 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3k4u s THR 115 CO 0.19 0.27 0.02 -0.22 -0.69 0.00 0.00 174.62 174.19 3k4u s LEU 116 N 1.57 3.63 0.04 4.42 2.96 0.12 -2.23 118.68 129.20 3k4u s LEU 116 Ca 0.05 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 3k4u s LEU 116 Cb -0.16 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 3k4u s LEU 116 CO 0.03 0.29 -0.07 0.68 -1.32 0.00 0.00 176.35 175.96 3k4u s VAL 117 N -0.33 0.44 0.29 1.68 -7.23 -1.26 -0.91 120.40 113.09 3k4u s VAL 117 Ca 0.07 -1.04 -0.12 0.00 -1.81 0.00 0.00 61.98 59.08 3k4u s VAL 117 Cb -0.12 -0.53 0.05 0.00 0.56 0.00 0.00 36.38 36.34 3k4u s VAL 117 CO 0.02 -0.41 0.65 1.07 -0.31 0.00 0.00 175.10 176.12 3k4u n THR 118 N 1.50 0.00 -2.86 5.32 5.66 -1.11 -2.11 114.28 120.69 3k4u n THR 118 Ca -0.23 -0.73 -0.35 0.00 -3.05 0.00 0.00 64.05 59.69 3k4u n THR 118 Cb 0.55 0.75 -0.07 0.00 -1.55 0.00 0.00 70.33 70.01 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 -2.07 4.36 0.21 1.09 2.20 -1.26 -1.13 119.74 123.14 3k4u s LYS 119 Ca 0.13 1.14 -0.30 0.00 -0.36 0.00 0.00 55.97 56.58 3k4u s LYS 119 Cb -0.04 -2.52 -0.09 0.00 -1.51 0.00 0.00 37.83 33.67 3k4u s LYS 119 CO 0.09 0.15 1.27 0.12 -0.36 0.00 0.00 175.35 176.62 3k4u s PHE 120 N -1.87 3.30 -0.84 4.03 5.36 0.28 -4.26 117.98 123.97 3k4u s PHE 120 Ca 0.55 1.31 -0.05 0.00 -0.96 0.00 0.00 56.93 57.78 3k4u s PHE 120 Cb -0.14 -3.55 -0.05 0.00 -0.34 0.00 0.00 43.02 38.94 3k4u s PHE 120 CO 0.19 -1.64 0.74 0.41 -1.46 0.00 0.00 175.22 173.46 3k4u n GLY 121 N 2.15 -0.73 3.48 13.12 0.00 -1.26 -5.01 105.19 116.94 3k4u n GLY 121 Ca 0.05 0.40 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 3k4u n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k4u s VAL 122 N -3.31 0.01 -0.13 1.61 0.11 -1.26 -4.92 120.40 112.51 3k4u s VAL 122 Ca 0.36 -0.08 0.14 0.00 -2.93 0.00 0.00 61.98 59.46 3k4u s VAL 122 Cb -0.05 -0.92 0.14 0.00 -1.53 0.00 0.00 36.38 34.02 3k4u s VAL 122 CO 0.59 -0.04 1.33 -1.54 -3.33 0.00 0.00 175.10 172.11 3k4u n SER 123 N 1.23 0.35 0.00 3.54 3.41 -1.26 0.29 113.62 121.19 3k4u n SER 123 Ca -0.19 0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 58.88 3k4u n SER 123 Cb 0.57 -0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3k4u n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k4u h ALA 124 N 1.42 0.51 -0.25 7.33 0.00 -1.90 -2.90 119.26 123.48 3k4u h ALA 124 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 3k4u h ALA 124 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3k4u h ALA 124 CO 0.00 0.71 -0.13 1.49 0.00 0.00 0.00 179.25 181.32 3k4u h GLU 125 N 0.43 0.41 -0.02 0.00 4.81 -0.37 -2.51 114.58 117.34 3k4u h GLU 125 Ca -0.02 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3k4u h GLU 125 Cb 1.28 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3k4u h GLU 125 CO 0.13 0.54 -0.10 1.88 -0.73 0.00 0.00 179.01 180.73 3k4u h TYR 126 N 0.38 0.15 -0.91 0.92 0.05 -1.54 -0.92 116.97 115.10 3k4u h TYR 126 Ca 0.07 -0.06 0.15 0.00 0.05 0.00 0.00 58.73 58.93 3k4u h TYR 126 Cb 0.46 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 38.10 3k4u h TYR 126 CO 0.01 0.76 0.58 0.00 -1.05 0.00 0.00 178.16 178.46 3k4u h ALA 127 N 0.36 1.80 -0.34 3.88 0.00 -1.57 0.37 119.26 123.76 3k4u h ALA 127 Ca -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3k4u h ALA 127 Cb 0.77 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3k4u h ALA 127 CO 0.02 -0.06 0.07 0.00 0.00 0.00 0.00 179.25 179.29 3k4u h ALA 128 N 1.59 0.45 -0.18 0.00 0.00 -1.22 1.24 119.26 121.15 3k4u h ALA 128 Ca 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3k4u h ALA 128 Cb 0.72 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3k4u h ALA 128 CO -0.22 0.13 0.06 0.87 0.00 0.00 0.00 179.25 180.09 3k4u h LYS 129 N 0.40 0.28 -0.42 0.00 1.57 -0.54 0.11 116.57 117.97 3k4u h LYS 129 Ca 0.11 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3k4u h LYS 129 Cb 0.32 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3k4u h LYS 129 CO 0.00 0.39 0.16 -0.09 -0.57 0.00 0.00 179.45 179.34 3k4u h ARG 130 N 0.12 0.33 0.00 3.15 2.43 0.05 -3.27 114.38 117.18 3k4u h ARG 130 Ca 0.06 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3k4u h ARG 130 Cb 0.22 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3k4u h ARG 130 CO -0.00 0.22 -1.46 1.28 -1.51 0.00 0.00 179.97 178.50 3k4u n LEU 131 N -4.99 0.52 -4.16 3.80 4.32 0.42 -4.85 117.00 112.07 3k4u n LEU 131 Ca 0.03 0.21 -0.36 0.00 -0.02 0.00 0.00 56.01 55.86 3k4u n LEU 131 Cb 0.14 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.82 3k4u n LEU 131 CO 0.27 -0.06 -0.24 -0.36 -1.22 0.00 0.00 177.39 175.78 3k4u s PHE 132 N -3.33 3.44 -0.12 -1.77 0.08 0.38 -4.95 117.98 111.69 3k4u s PHE 132 Ca -0.04 -2.09 -0.19 0.00 0.12 0.00 0.00 56.93 54.73 3k4u s PHE 132 Cb 0.11 -2.73 -0.26 0.00 -0.57 0.00 0.00 43.02 39.57 3k4u s PHE 132 CO 0.84 -0.88 0.55 0.87 -0.10 0.00 0.00 175.22 176.49 3k4u h LYS 133 N 8.06 0.17 0.00 0.44 1.79 -1.84 -3.43 116.57 121.76 3k4u h LYS 133 Ca -0.17 -0.29 -0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3k4u h LYS 133 Cb 1.06 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3k4u h LYS 133 CO 0.63 1.14 -0.35 -0.91 -1.08 0.00 0.00 179.45 178.89 3k4u h ASN 134 N -0.53 0.00 -3.31 0.86 2.35 -1.91 -3.49 115.58 109.55 3k4u h ASN 134 Ca -0.26 -0.01 -0.57 0.00 -0.55 0.00 0.00 56.30 54.91 3k4u h ASN 134 Cb 1.57 0.00 0.12 0.00 0.05 0.00 0.00 38.32 40.06 3k4u h ASN 134 CO 0.01 0.68 0.42 0.00 -1.65 0.00 0.00 177.43 176.89 3k4u n ALA 135 N -3.34 1.02 -2.13 -0.83 0.00 -1.25 -4.55 120.51 109.43 3k4u n ALA 135 Ca -0.05 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 3k4u n ALA 135 Cb 0.18 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 3k4u n ALA 135 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3k4u s LYS 136 N -2.01 4.27 -0.22 0.00 1.02 -0.20 -4.80 119.74 117.80 3k4u s LYS 136 Ca 0.59 2.10 -0.08 0.00 0.02 0.00 0.00 55.97 58.60 3k4u s LYS 136 Cb -0.55 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 3k4u s LYS 136 CO 0.59 -0.58 0.08 -1.17 -0.92 0.00 0.00 175.35 173.36 3k4u s LEU 137 N 2.06 3.69 0.03 3.17 2.96 -1.26 0.15 118.68 129.47 3k4u s LEU 137 Ca 0.67 -0.05 0.09 0.00 -0.22 0.00 0.00 54.13 54.62 3k4u s LEU 137 Cb -0.35 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 3k4u s LEU 137 CO 0.29 0.06 -0.26 -0.54 -1.32 0.00 0.00 176.35 174.59 3k4u s LYS 138 N 1.03 1.83 -0.05 1.98 1.02 -0.08 -4.98 119.74 120.49 3k4u s LYS 138 Ca 0.04 -1.04 0.06 0.00 0.02 0.00 0.00 55.97 55.06 3k4u s LYS 138 Cb -0.14 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 3k4u s LYS 138 CO 0.03 0.51 -0.24 0.95 -0.92 0.00 0.00 175.35 175.68 3k4u s THR 139 N -0.74 2.17 0.39 2.17 -4.23 -1.26 -2.74 115.64 111.40 3k4u s THR 139 Ca 0.11 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3k4u s THR 139 Cb -0.10 -1.78 -0.00 0.00 1.34 0.00 0.00 72.50 71.95 3k4u s THR 139 CO 0.01 0.57 0.02 -1.22 -0.54 0.00 0.00 174.62 173.47 3k4u n TYR 140 N 2.79 0.77 0.30 3.99 4.01 -0.29 -4.77 117.16 123.97 3k4u n TYR 140 Ca -0.17 -2.03 0.12 0.00 -0.16 0.00 0.00 57.90 55.66 3k4u n TYR 140 Cb 0.52 -0.21 0.19 0.00 -0.31 0.00 0.00 39.34 39.52 3k4u n TYR 140 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3k4u h ASP 141 N 1.05 0.00 -4.66 7.72 3.32 -1.95 0.79 116.42 122.69 3k4u h ASP 141 Ca -0.32 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.63 3k4u h ASP 141 Cb 1.01 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.36 3k4u h ASP 141 CO 0.53 0.01 -0.01 0.42 -1.72 0.00 0.00 179.24 178.47 3k4u s THR 142 N -3.21 0.02 0.20 0.35 -4.23 -1.26 -4.78 115.64 102.73 3k4u s THR 142 Ca 0.07 -0.13 -0.20 0.00 -1.18 0.00 0.00 61.69 60.25 3k4u s THR 142 Cb 0.08 -0.83 0.16 0.00 1.34 0.00 0.00 72.50 73.25 3k4u s THR 142 CO 0.68 -0.07 1.57 -0.33 -0.54 0.00 0.00 174.62 175.93 3k4u h GLU 143 N 3.95 -0.09 -0.89 3.99 3.07 -1.90 -1.43 114.58 121.27 3k4u h GLU 143 Ca -0.28 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 58.70 3k4u h GLU 143 Cb 1.16 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 29.02 3k4u h GLU 143 CO 0.31 -0.06 0.58 0.00 -1.40 0.00 0.00 179.01 178.44 3k4u h ALA 144 N 1.12 1.69 -0.05 3.43 0.00 -1.97 -2.03 119.26 121.44 3k4u h ALA 144 Ca 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 3k4u h ALA 144 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3k4u h ALA 144 CO -0.81 0.11 -0.72 1.49 0.00 0.00 0.00 179.25 179.32 3k4u h GLU 145 N 0.83 0.28 -0.02 0.00 4.81 -1.70 -2.84 114.58 115.95 3k4u h GLU 145 Ca 0.43 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3k4u h GLU 145 Cb 0.50 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3k4u h GLU 145 CO -0.19 0.88 -0.03 0.00 -0.73 0.00 0.00 179.01 178.95 3k4u h ALA 146 N 1.05 0.03 -0.72 2.92 0.00 -0.71 -3.25 119.26 118.58 3k4u h ALA 146 Ca -0.02 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.72 3k4u h ALA 146 Cb 1.28 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 3k4u h ALA 146 CO 0.11 -0.19 0.34 -0.39 0.00 0.00 0.00 179.25 179.13 3k4u h VAL 147 N -0.46 0.80 0.00 0.00 -1.51 -1.48 -1.20 116.25 112.40 3k4u h VAL 147 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 3k4u h VAL 147 Cb 0.56 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 3k4u h VAL 147 CO 0.01 0.10 0.28 1.67 -1.23 0.00 0.00 177.57 178.40 3k4u n GLN 148 N -4.90 0.04 -0.30 5.19 -0.06 -1.07 0.13 117.38 116.41 3k4u n GLN 148 Ca 0.12 0.42 0.10 0.00 -2.00 0.00 0.00 57.00 55.64 3k4u n GLN 148 Cb 0.31 -1.93 0.27 0.00 -4.06 0.00 0.00 30.24 24.84 3k4u n GLN 148 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 3k4u n GLU 149 N -1.67 2.43 -0.01 3.69 -0.58 -0.45 -3.35 120.64 120.70 3k4u n GLU 149 Ca -0.00 -2.22 0.00 0.00 -0.42 0.00 0.00 57.16 54.52 3k4u n GLU 149 Cb 0.29 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 3k4u n GLU 149 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 3k4u n VAL 150 N 1.32 0.14 0.03 2.62 3.14 0.34 0.22 118.33 126.12 3k4u n VAL 150 Ca 0.21 -0.14 -0.08 0.00 -2.96 0.00 0.00 64.34 61.36 3k4u n VAL 150 Cb 0.53 -0.21 0.07 0.00 -1.06 0.00 0.00 33.84 33.17 3k4u n VAL 150 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3k4u h LEU 151 N 0.00 0.53 0.00 6.55 3.38 -1.57 -3.42 115.31 120.78 3k4u h LEU 151 Ca -0.05 -0.29 -0.19 0.00 0.09 0.00 0.00 57.88 57.44 3k4u h LEU 151 Cb 0.71 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.32 3k4u h LEU 151 CO 0.00 0.98 -0.01 -0.46 0.09 0.00 0.00 178.44 179.05 3k4u n ASN 152 N -3.94 0.76 -0.25 -0.43 0.23 -1.21 -5.05 115.26 105.37 3k4u n ASN 152 Ca -0.03 -1.57 -0.06 0.00 -0.53 0.00 0.00 54.58 52.39 3k4u n ASN 152 Cb 0.61 -0.19 0.05 0.00 -2.08 0.00 0.00 39.78 38.17 3k4u n ASN 152 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3k4u h GLY 153 N -0.02 1.09 -0.72 4.83 0.00 -1.86 -3.40 103.07 102.99 3k4u h GLY 153 Ca -0.11 -0.56 0.07 0.00 0.00 0.00 0.00 47.33 46.73 3k4u h GLY 153 CO 0.15 0.53 -0.40 0.28 0.00 0.00 0.00 176.54 177.10 3k4u n LYS 154 N -4.41 -0.29 -4.36 4.80 4.76 -1.26 -4.72 118.16 112.67 3k4u n LYS 154 Ca 0.06 1.09 -0.30 0.00 -2.87 0.00 0.00 58.31 56.28 3k4u n LYS 154 Cb 0.15 -1.60 -0.04 0.00 -1.84 0.00 0.00 35.03 31.70 3k4u n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k4u s ALA 155 N -5.40 4.31 -0.11 7.82 0.00 0.59 -5.00 121.76 123.96 3k4u s ALA 155 Ca -0.09 -0.70 0.13 0.00 0.00 0.00 0.00 51.96 51.30 3k4u s ALA 155 Cb 0.09 -0.33 -0.19 0.00 0.00 0.00 0.00 23.12 22.70 3k4u s ALA 155 CO 0.45 -0.22 0.12 -0.25 0.00 0.00 0.00 175.76 175.86 3k4u n ASP 156 N -1.51 1.58 -3.64 0.00 10.43 -0.94 -4.36 116.55 118.11 3k4u n ASP 156 Ca -0.12 0.00 -0.09 0.00 2.57 0.00 0.00 54.79 57.16 3k4u n ASP 156 Cb 0.66 1.04 -0.07 0.00 1.84 0.00 0.00 41.12 44.59 3k4u n ASP 156 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3k4u s PHE 158 N -2.50 -0.72 -0.13 1.24 5.36 0.21 -1.80 117.98 119.63 3k4u s PHE 158 Ca -0.07 1.60 0.02 0.00 -0.96 0.00 0.00 56.93 57.52 3k4u s PHE 158 Cb 0.05 0.40 -0.00 0.00 -0.34 0.00 0.00 43.02 43.13 3k4u s PHE 158 CO 0.58 -0.35 -0.18 -1.50 -1.46 0.00 0.00 175.22 172.31 3k4u s ILE 159 N 0.83 2.48 0.26 3.12 2.07 -0.90 0.28 121.20 129.35 3k4u s ILE 159 Ca -0.03 -0.85 -0.20 0.00 -1.41 0.00 0.00 60.65 58.16 3k4u s ILE 159 Cb -0.05 -2.01 0.07 0.00 0.13 0.00 0.00 42.46 40.60 3k4u s ILE 159 CO -0.09 0.53 0.96 0.12 -1.91 0.00 0.00 174.94 174.56 3k4u s PHE 160 N 0.59 0.11 0.13 3.50 5.36 -0.72 -4.62 117.98 122.33 3k4u s PHE 160 Ca -0.11 -0.62 -0.31 0.00 -0.96 0.00 0.00 56.93 54.94 3k4u s PHE 160 Cb -0.16 0.76 -0.09 0.00 -0.34 0.00 0.00 43.02 43.19 3k4u s PHE 160 CO 0.03 -1.16 1.48 -0.51 -1.46 0.00 0.00 175.22 173.61 3k4u s ASP 161 N -3.34 6.71 0.30 6.13 -0.00 -1.26 -0.53 116.67 124.67 3k4u s ASP 161 Ca 0.21 2.45 0.02 0.00 -0.00 0.00 0.00 52.55 55.23 3k4u s ASP 161 Cb -0.04 -2.59 0.74 0.00 -0.00 0.00 0.00 42.92 41.03 3k4u s ASP 161 CO 0.08 -0.74 1.61 0.25 -0.00 0.00 0.00 175.17 176.37 3k4u h LEU 162 N 6.94 -0.21 -1.79 1.23 5.85 -0.85 0.40 115.31 126.88 3k4u h LEU 162 Ca -0.42 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.54 3k4u h LEU 162 Cb 1.21 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 3k4u h LEU 162 CO 0.89 -0.26 0.15 -0.65 -0.34 0.00 0.00 178.44 178.23 3k4u h PRO 163 N 0.10 0.28 -0.42 5.25 0.11 -1.88 0.18 132.00 135.62 3k4u h PRO 163 Ca 0.57 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.67 3k4u h PRO 163 Cb 1.19 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3k4u h PRO 163 CO -0.77 0.18 0.27 0.35 -0.21 0.00 0.00 178.00 177.83 3k4u h PHE 164 N 0.28 0.53 -0.12 0.65 3.57 -0.11 -0.85 116.94 120.90 3k4u h PHE 164 Ca 0.09 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3k4u h PHE 164 Cb -0.00 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3k4u h PHE 164 CO -0.00 0.34 -0.05 -0.91 -2.23 0.00 0.00 178.31 175.46 3k4u h ASN 165 N 0.57 0.25 -0.81 0.41 2.35 -0.67 0.58 115.58 118.25 3k4u h ASN 165 Ca 0.15 -0.41 0.08 0.00 -0.55 0.00 0.00 56.30 55.57 3k4u h ASN 165 Cb -0.05 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.18 3k4u h ASN 165 CO -0.03 0.60 0.48 -0.37 -1.65 0.00 0.00 177.43 176.46 3k4u h VAL 166 N -0.11 0.96 0.23 2.81 -1.51 -1.01 -2.09 116.25 115.54 3k4u h VAL 166 Ca 0.03 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 65.20 3k4u h VAL 166 Cb 0.51 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.72 3k4u h VAL 166 CO 0.02 0.15 -0.11 0.00 -1.23 0.00 0.00 177.57 176.40 3k4u h ALA 167 N 1.42 -0.31 0.00 5.19 0.00 -0.79 -2.34 119.26 122.43 3k4u h ALA 167 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3k4u h ALA 167 Cb 0.27 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3k4u h ALA 167 CO -0.21 -0.59 0.00 0.34 0.00 0.00 0.00 179.25 178.79 3k4u n PHE 168 N -5.15 0.00 0.00 0.00 7.35 0.20 -1.31 117.46 118.55 3k4u n PHE 168 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 3k4u n PHE 168 Cb 0.20 -0.04 0.00 0.00 0.35 0.00 0.00 39.48 39.99 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 0.66 0.00 -0.02 3.13 0.00 -0.88 -0.47 120.51 122.93 3k4u n ALA 170 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3k4u n ALA 170 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 0.17 0.00 0.00 4.15 -1.46 -3.46 115.11 114.51 3k4u h GLN 171 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.13 3k4u h GLN 171 Cb 0.00 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.80 3k4u h GLN 171 CO 0.00 1.14 -0.27 1.63 -1.93 0.00 0.00 178.83 179.40 3k4u n LYS 172 N -4.18 0.70 0.09 1.69 5.02 0.38 -5.00 118.16 116.86 3k4u n LYS 172 Ca -0.21 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.04 3k4u n LYS 172 Cb 0.77 -0.64 0.17 0.00 -0.02 0.00 0.00 35.03 35.32 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 0.27 -0.68 0.72 0.00 -1.79 -3.41 103.07 98.18 3k4u h GLY 173 Ca 0.00 -0.29 0.15 0.00 0.00 0.00 0.00 47.33 47.19 3k4u h GLY 173 CO 0.00 0.26 -0.10 -1.06 0.00 0.00 0.00 176.54 175.64 3k4u n GLN 174 N -3.95 -0.06 0.05 4.80 3.00 -1.26 0.89 117.38 120.85 3k4u n GLN 174 Ca -0.02 1.04 0.11 0.00 -0.01 0.00 0.00 57.00 58.13 3k4u n GLN 174 Cb 0.55 -1.60 -0.01 0.00 0.00 0.00 0.00 30.24 29.19 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 -1.40 -1.29 0.14 1.08 0.00 -1.26 -4.54 105.19 97.91 3k4u n GLY 175 Ca 0.13 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 3k4u n GLY 175 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k4u n TYR 176 N -2.31 0.02 -4.32 1.61 0.53 0.26 -4.94 117.16 108.00 3k4u n TYR 176 Ca 0.00 0.01 -0.26 0.00 -1.02 0.00 0.00 57.90 56.63 3k4u n TYR 176 Cb 0.50 -1.00 -0.09 0.00 -1.03 0.00 0.00 39.34 37.72 3k4u n TYR 176 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3k4u s LEU 177 N -7.10 3.02 -0.00 7.72 1.02 0.40 -2.85 118.68 120.88 3k4u s LEU 177 Ca -0.37 -1.16 0.06 0.00 0.02 0.00 0.00 54.13 52.67 3k4u s LEU 177 Cb 0.12 -1.25 -0.02 0.00 0.02 0.00 0.00 46.19 45.07 3k4u s LEU 177 CO 0.54 -0.47 -0.17 -0.69 0.02 0.00 0.00 176.35 175.58 3k4u s VAL 178 N -2.62 1.38 -0.34 -1.59 1.01 0.19 -4.67 120.40 113.77 3k4u s VAL 178 Ca 0.38 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 3k4u s VAL 178 Cb 0.05 -1.17 0.08 0.00 0.00 0.00 0.00 36.38 35.35 3k4u s VAL 178 CO 0.21 0.33 0.06 -2.28 0.00 0.00 0.00 175.10 173.42 3k4u s HIS 179 N -0.49 3.48 -0.42 5.22 2.46 -1.26 0.11 115.29 124.39 3k4u s HIS 179 Ca 0.06 -2.35 -0.29 0.00 0.47 0.00 0.00 55.06 52.95 3k4u s HIS 179 Cb -0.07 -2.61 0.02 0.00 -0.13 0.00 0.00 32.58 29.80 3k4u s HIS 179 CO -0.00 -0.90 1.13 -1.17 -2.47 0.00 0.00 174.74 171.33 3k4u s LEU 180 N 1.12 3.74 0.00 8.88 2.96 -0.96 -4.91 118.68 129.51 3k4u s LEU 180 Ca 0.02 0.70 0.21 0.00 -0.22 0.00 0.00 54.13 54.84 3k4u s LEU 180 Cb -0.21 -3.55 0.52 0.00 0.50 0.00 0.00 46.19 43.46 3k4u s LEU 180 CO -0.04 -1.13 1.45 -0.90 -1.32 0.00 0.00 176.35 174.41 3k4u n ASP 181 N 7.54 3.06 -4.63 3.68 5.68 -1.26 -2.54 116.55 128.08 3k4u n ASP 181 Ca 0.12 -1.94 -0.43 0.00 -0.50 0.00 0.00 54.79 52.04 3k4u n ASP 181 Cb 0.48 -0.27 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 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 -1.45 3.35 0.04 2.12 2.01 -1.26 -4.93 115.64 115.52 3k4u s THR 182 Ca 0.38 0.39 -0.30 0.00 0.31 0.00 0.00 61.69 62.47 3k4u s THR 182 Cb 0.21 -3.36 -0.07 0.00 0.01 0.00 0.00 72.50 69.29 3k4u s THR 182 CO 0.29 -0.15 1.57 -0.94 -0.69 0.00 0.00 174.62 174.70 3k4u s SER 183 N 5.43 6.68 0.10 3.53 1.04 -1.26 -4.64 113.70 124.58 3k4u s SER 183 Ca 0.83 2.36 0.23 0.00 0.48 0.00 0.00 55.95 59.85 3k4u s SER 183 Cb -0.31 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.29 3k4u s SER 183 CO 0.34 -0.83 1.02 0.18 0.98 0.00 0.00 173.24 174.92 3k4u n LEU 184 N 5.56 0.64 -4.36 2.42 4.77 0.11 -4.89 117.00 121.26 3k4u n LEU 184 Ca 0.15 0.14 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 3k4u n LEU 184 Cb 0.42 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 3k4u n LEU 184 CO 0.61 -0.05 -0.20 0.42 -1.33 0.00 0.00 177.39 176.84 3k4u s THR 185 N -3.28 0.39 -0.29 -5.08 -4.23 -1.26 -4.89 115.64 97.01 3k4u s THR 185 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3k4u s THR 185 Cb 0.13 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.54 3k4u s THR 185 CO 0.80 0.00 0.05 -0.47 -0.54 0.00 0.00 174.62 174.46 3k4u s TYR 186 N -3.55 2.12 -0.25 3.99 5.04 -1.26 -4.17 117.35 119.27 3k4u s TYR 186 Ca 0.35 -1.86 0.01 0.00 -2.44 0.00 0.00 57.07 53.12 3k4u s TYR 186 Cb 0.05 -1.83 0.07 0.00 0.35 0.00 0.00 41.96 40.60 3k4u s TYR 186 CO 0.17 -0.84 -0.04 -1.21 -1.34 0.00 0.00 175.55 172.29 3k4u s GLU 187 N 1.48 1.62 -0.25 4.97 2.02 0.55 -5.01 118.70 124.08 3k4u s GLU 187 Ca 0.06 -1.09 -0.29 0.00 0.02 0.00 0.00 54.97 53.67 3k4u s GLU 187 Cb -0.18 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 3k4u s GLU 187 CO -0.17 -0.64 1.36 -1.25 0.02 0.00 0.00 175.26 174.58 3k4u s PRO 188 N 1.34 3.97 0.40 0.39 0.04 -1.26 0.29 135.00 140.18 3k4u s PRO 188 Ca -0.04 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 3k4u s PRO 188 Cb -0.19 -3.88 -0.08 0.00 0.04 0.00 0.00 34.50 30.39 3k4u s PRO 188 CO -0.07 -1.05 0.82 -0.51 0.04 0.00 0.00 177.00 176.23 3k4u s LEU 189 N 4.31 3.88 0.08 -3.56 1.02 -0.53 -1.37 118.68 122.51 3k4u s LEU 189 Ca 0.59 1.31 -0.14 0.00 0.02 0.00 0.00 54.13 55.92 3k4u s LEU 189 Cb -0.20 -4.18 0.02 0.00 0.02 0.00 0.00 46.19 41.86 3k4u s LEU 189 CO 0.22 -0.37 0.32 -0.83 0.02 0.00 0.00 176.35 175.71 3k4u s GLY 190 N -2.76 -0.14 0.15 -3.19 0.00 -1.26 -2.47 107.32 97.66 3k4u s GLY 190 Ca 0.55 -0.12 -0.25 0.00 0.00 0.00 0.00 44.72 44.89 3k4u s GLY 190 CO 0.25 -0.35 0.77 -0.98 0.00 0.00 0.00 173.10 172.79 3k4u s TRP 191 N -3.24 3.89 -0.07 1.90 0.51 -1.26 -4.74 118.94 115.92 3k4u s TRP 191 Ca -0.00 1.61 0.01 0.00 -2.12 0.00 0.00 56.10 55.60 3k4u s TRP 191 Cb 0.01 -2.76 -0.03 0.00 -0.81 0.00 0.00 33.47 29.89 3k4u s TRP 191 CO -0.08 0.50 -0.10 0.00 -0.51 0.00 0.00 176.95 176.77 3k4u s ALA 192 N -1.07 2.84 0.24 0.98 0.00 -1.12 -1.42 121.76 122.21 3k4u s ALA 192 Ca 0.36 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.49 3k4u s ALA 192 Cb -0.23 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 3k4u s ALA 192 CO 0.26 0.52 -0.14 0.96 0.00 0.00 0.00 175.76 177.36 3k4u s ILE 193 N -0.62 1.92 0.51 0.00 -4.36 -0.58 -1.44 121.20 116.63 3k4u s ILE 193 Ca 0.09 -2.24 -0.22 0.00 -0.26 0.00 0.00 60.65 58.02 3k4u s ILE 193 Cb -0.11 -2.20 -0.06 0.00 1.25 0.00 0.00 42.46 41.34 3k4u s ILE 193 CO 0.02 -0.48 1.28 -0.75 0.24 0.00 0.00 174.94 175.24 3k4u s LYS 194 N -3.63 3.38 0.83 0.37 2.20 -1.26 -0.99 119.74 120.65 3k4u s LYS 194 Ca 0.26 2.04 -0.11 0.00 -0.36 0.00 0.00 55.97 57.80 3k4u s LYS 194 Cb -0.01 -2.31 0.09 0.00 -1.51 0.00 0.00 37.83 34.10 3k4u s LYS 194 CO 0.10 -0.94 1.09 0.15 -0.36 0.00 0.00 175.35 175.39 3k4u s LYS 195 N -2.84 1.76 0.00 4.03 1.02 -1.26 -3.93 119.74 118.52 3k4u s LYS 195 Ca 0.69 0.97 0.00 0.00 0.02 0.00 0.00 55.97 57.65 3k4u s LYS 195 Cb -0.35 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 3k4u s LYS 195 CO 0.42 -1.93 0.00 0.41 -0.92 0.00 0.00 175.35 173.33 3k4u n GLY 196 N -1.21 1.00 3.13 -3.33 0.00 -1.26 -5.01 105.19 98.50 3k4u n GLY 196 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.11 5.83 0.43 1.61 3.68 -1.25 -4.92 116.67 119.95 3k4u s ASP 197 Ca 0.00 -3.33 0.15 0.00 2.13 0.00 0.00 52.55 51.50 3k4u s ASP 197 Cb 0.00 -1.93 0.96 0.00 -1.45 0.00 0.00 42.92 40.51 3k4u s ASP 197 CO 0.00 -0.28 1.95 1.55 0.13 0.00 0.00 175.17 178.51 3k4u h PRO 198 N 6.54 0.00 -0.21 4.34 0.13 -1.95 -3.08 132.00 137.77 3k4u h PRO 198 Ca 0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.10 3k4u h PRO 198 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 3k4u h PRO 198 CO 0.80 0.24 -0.36 -0.44 -0.23 0.00 0.00 178.00 178.00 3k4u h ASP 199 N 0.00 0.69 0.09 1.44 3.32 -2.00 -2.07 116.42 117.89 3k4u h ASP 199 Ca -0.00 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.49 3k4u h ASP 199 Cb 0.43 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3k4u h ASP 199 CO 0.03 1.09 -0.10 0.15 -1.72 0.00 0.00 179.24 178.69 3k4u h PHE 200 N 0.31 0.04 0.38 4.55 3.57 -1.98 -1.16 116.94 122.66 3k4u h PHE 200 Ca 0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3k4u h PHE 200 Cb 0.96 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.69 3k4u h PHE 200 CO 0.09 0.15 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.07 3k4u h LEU 201 N 0.04 -0.43 -0.50 0.59 3.38 -1.42 0.40 115.31 117.38 3k4u h LEU 201 Ca 0.01 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.95 3k4u h LEU 201 Cb 0.21 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 3k4u h LEU 201 CO 0.01 -0.12 0.11 -1.13 0.09 0.00 0.00 178.44 177.40 3k4u h ASN 202 N -0.75 0.03 0.52 -0.43 -0.73 -1.21 0.14 115.58 113.15 3k4u h ASN 202 Ca -0.05 0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.19 3k4u h ASN 202 Cb 0.51 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.20 3k4u h ASN 202 CO 0.08 0.04 -0.41 -0.25 -0.37 0.00 0.00 177.43 176.53 3k4u h TRP 203 N 0.25 -1.09 -0.24 0.67 7.01 -1.08 -2.38 115.95 119.08 3k4u h TRP 203 Ca 0.25 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.27 3k4u h TRP 203 Cb 0.32 0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 3k4u h TRP 203 CO -0.22 -0.58 0.16 -0.07 -2.79 0.00 0.00 178.44 174.95 3k4u h LEU 204 N -0.91 0.21 0.05 0.65 -0.00 0.75 0.01 115.31 116.07 3k4u h LEU 204 Ca -0.06 -0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.57 3k4u h LEU 204 Cb 0.77 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.36 3k4u h LEU 204 CO 0.00 0.15 -1.18 0.78 -0.00 0.00 0.00 178.44 178.19 3k4u h ASN 205 N 0.25 0.17 0.10 -0.43 2.35 -0.57 -1.41 115.58 116.03 3k4u h ASN 205 Ca 0.10 -0.19 -0.21 0.00 -0.55 0.00 0.00 56.30 55.45 3k4u h ASN 205 Cb 0.09 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3k4u h ASN 205 CO -0.02 1.15 -0.79 0.45 -1.65 0.00 0.00 177.43 176.57 3k4u h HIS 206 N 0.03 0.78 -0.60 1.19 3.86 -0.92 -2.90 115.15 116.60 3k4u h HIS 206 Ca -0.09 -0.36 -0.02 0.00 -1.16 0.00 0.00 60.37 58.74 3k4u h HIS 206 Cb 1.87 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 30.20 3k4u h HIS 206 CO 0.03 1.16 0.28 0.35 0.86 0.00 0.00 177.93 180.60 3k4u h PHE 207 N 0.38 0.86 -0.61 2.45 3.57 -0.83 -1.28 116.94 121.49 3k4u h PHE 207 Ca -0.05 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 3k4u h PHE 207 Cb 1.40 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 3k4u h PHE 207 CO 0.06 0.66 0.28 1.25 -2.23 0.00 0.00 178.31 178.33 3k4u h LEU 208 N 0.81 0.81 -1.17 0.59 5.85 -1.29 -2.02 115.31 118.89 3k4u h LEU 208 Ca 0.20 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3k4u h LEU 208 Cb 0.13 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3k4u h LEU 208 CO -0.02 0.72 0.56 0.00 -0.34 0.00 0.00 178.44 179.36 3k4u h ALA 209 N 1.11 1.44 0.93 1.25 0.00 -1.28 -2.59 119.26 120.12 3k4u h ALA 209 Ca 0.21 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3k4u h ALA 209 Cb 0.14 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3k4u h ALA 209 CO -0.02 0.49 -0.45 1.96 0.00 0.00 0.00 179.25 181.24 3k4u h GLN 210 N 1.10 -1.20 0.00 0.00 1.08 -0.49 -2.70 115.11 112.91 3k4u h GLN 210 Ca 0.33 0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 3k4u h GLN 210 Cb -0.04 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3k4u h GLN 210 CO -0.09 -0.80 0.00 -0.84 -0.95 0.00 0.00 178.83 176.15 3k4u h ILE 211 N -1.31 0.00 0.00 2.54 3.07 -1.47 0.30 117.51 120.64 3k4u h ILE 211 Ca -0.13 -0.09 0.00 0.00 1.55 0.00 0.00 64.86 66.19 3k4u h ILE 211 Cb 0.96 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 3k4u h ILE 211 CO 0.21 0.00 -0.43 0.29 -1.05 0.00 0.00 178.15 177.17 3k4u n LYS 212 N -2.65 0.17 -0.00 0.16 4.76 -0.98 -0.74 118.16 118.88 3k4u n LYS 212 Ca -0.01 0.07 0.03 0.00 -2.87 0.00 0.00 58.31 55.52 3k4u n LYS 212 Cb 0.10 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.64 3k4u n LYS 212 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3k4u n HIS 213 N -1.88 0.00 0.08 2.13 8.25 0.84 -4.68 115.22 119.96 3k4u n HIS 213 Ca 0.05 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.33 3k4u n HIS 213 Cb 0.40 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.35 3k4u n HIS 213 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3k4u h ASP 214 N 0.00 0.46 0.00 0.41 5.19 -1.03 -3.49 116.42 117.97 3k4u h ASP 214 Ca 0.00 -0.59 0.00 0.00 -0.62 0.00 0.00 57.03 55.82 3k4u h ASP 214 Cb 0.14 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3k4u h ASP 214 CO 0.00 1.49 0.00 0.61 -3.12 0.00 0.00 179.24 178.22 3k4u n GLY 215 N 1.66 2.76 0.12 2.75 0.00 -1.26 -4.99 105.19 106.24 3k4u n GLY 215 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 3k4u n GLY 215 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k4u h SER 216 N 0.25 0.30 -0.26 1.61 4.64 -1.90 0.15 113.55 118.34 3k4u h SER 216 Ca 0.00 -0.41 0.05 0.00 -0.47 0.00 0.00 61.79 60.96 3k4u h SER 216 Cb 0.00 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 61.95 3k4u h SER 216 CO 0.00 0.65 -0.09 0.22 -0.87 0.00 0.00 176.83 176.73 3k4u h TYR 217 N -0.05 -0.22 -0.79 4.77 3.20 -1.30 -0.45 116.97 122.14 3k4u h TYR 217 Ca 0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3k4u h TYR 217 Cb 0.53 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 3k4u h TYR 217 CO 0.07 -0.15 0.48 -0.44 -1.64 0.00 0.00 178.16 176.48 3k4u h ASP 218 N -0.05 0.94 -0.09 -2.11 3.45 -1.71 0.33 116.42 117.18 3k4u h ASP 218 Ca 0.13 -0.05 0.04 0.00 0.43 0.00 0.00 57.03 57.58 3k4u h ASP 218 Cb 0.24 -0.24 -0.05 0.00 -0.56 0.00 0.00 39.33 38.72 3k4u h ASP 218 CO -0.29 0.71 -0.26 -0.33 -1.57 0.00 0.00 179.24 177.51 3k4u h GLU 219 N 1.08 -0.33 0.00 3.56 5.08 -0.16 -1.57 114.58 122.23 3k4u h GLU 219 Ca 0.28 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 3k4u h GLU 219 Cb -0.05 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3k4u h GLU 219 CO -0.05 -0.22 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.31 3k4u h LEU 220 N -0.35 0.00 0.14 1.33 3.38 0.03 -2.06 115.31 117.79 3k4u h LEU 220 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3k4u h LEU 220 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3k4u h LEU 220 CO -0.29 0.35 -0.07 0.22 0.09 0.00 0.00 178.44 178.74 3k4u h TYR 221 N 0.00 -0.18 -0.76 1.13 3.20 -0.10 -2.76 116.97 117.50 3k4u h TYR 221 Ca -0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 3k4u h TYR 221 Cb 0.66 0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.91 3k4u h TYR 221 CO 0.00 0.16 0.39 0.93 -1.64 0.00 0.00 178.16 178.00 3k4u h GLU 222 N -0.53 0.63 -0.65 1.82 4.39 -1.23 -1.12 114.58 117.89 3k4u h GLU 222 Ca -0.02 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.74 3k4u h GLU 222 Cb 0.42 -0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 28.85 3k4u h GLU 222 CO 0.03 0.42 0.25 -0.09 -1.16 0.00 0.00 179.01 178.46 3k4u h ARG 223 N 0.65 0.42 0.00 2.33 9.65 -1.31 0.16 114.38 126.28 3k4u h ARG 223 Ca 0.38 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 59.10 3k4u h ARG 223 Cb 0.42 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 3k4u h ARG 223 CO -0.28 0.28 -1.57 0.91 2.80 0.00 0.00 179.97 182.11 3k4u n TRP 224 N -4.98 0.00 0.10 2.20 7.02 -1.05 -4.15 117.44 116.58 3k4u n TRP 224 Ca 0.10 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.63 3k4u n TRP 224 Cb 0.30 -0.40 -0.01 0.00 -2.42 0.00 0.00 31.31 28.78 3k4u n TRP 224 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 3k4u h PHE 225 N 0.00 0.00 0.00 -5.99 0.04 -1.34 -3.44 116.94 106.21 3k4u h PHE 225 Ca -0.20 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.53 3k4u h PHE 225 Cb 1.40 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.54 3k4u h PHE 225 CO 0.00 0.31 -0.99 0.28 -0.60 0.00 0.00 178.31 177.31 3k4u n VAL 226 N -2.91 0.25 -0.29 -0.55 0.31 -0.85 -4.96 118.33 109.34 3k4u n VAL 226 Ca -0.03 0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.31 3k4u n VAL 226 Cb 0.69 -1.54 0.11 0.00 -0.91 0.00 0.00 33.84 32.19 3k4u n VAL 226 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3k4u h ASP 227 N -0.07 0.83 0.00 4.52 3.32 -0.87 -3.47 116.42 120.68 3k4u h ASP 227 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3k4u h ASP 227 Cb 0.93 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3k4u h ASP 227 CO -0.03 0.56 0.00 0.35 -1.72 0.00 0.00 179.24 178.40 3k4u n THR 228 N -4.61 0.00 -0.09 0.35 -2.24 -1.26 -4.89 114.28 101.54 3k4u n THR 228 Ca 0.10 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.87 3k4u n THR 228 Cb 0.12 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 68.58 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 2.77 0.74 -0.13 -0.78 1.63 -1.91 -3.16 116.57 115.74 3k4u h LYS 229 Ca 0.00 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 3k4u h LYS 229 Cb 0.00 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 3k4u h LYS 229 CO 0.00 0.68 0.02 0.11 -3.45 0.00 0.00 179.45 176.80 3k4u h TRP 230 N 0.72 0.17 -0.78 1.91 5.08 -1.90 -2.88 115.95 118.26 3k4u h TRP 230 Ca 0.16 -0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.13 3k4u h TRP 230 Cb 0.28 -0.06 -0.04 0.00 -3.00 0.00 0.00 29.16 26.35 3k4u h TRP 230 CO 0.01 0.17 0.49 -0.07 -1.28 0.00 0.00 178.44 177.76 3k4u h LEU 231 N 0.18 0.93 -1.92 0.11 4.07 -1.97 0.28 115.31 116.98 3k4u h LEU 231 Ca 0.04 -0.04 0.37 0.00 0.08 0.00 0.00 57.88 58.33 3k4u h LEU 231 Cb 0.10 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 41.55 3k4u h LEU 231 CO -0.00 0.70 0.90 -0.33 -1.08 0.00 0.00 178.44 178.63 3k4u h GLU 232 N 1.08 0.04 0.00 1.13 4.39 -1.75 -3.52 114.58 115.94 3k4u h GLU 232 Ca 0.28 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3k4u h GLU 232 Cb -0.07 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3k4u h GLU 232 CO -0.06 0.02 0.00 1.17 -1.16 0.00 0.00 179.01 178.99