#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4u s LEU 1 N 0.00 2.17 0.14 -3.43 2.34 -1.26 -5.11 118.68 113.53 3k4u s LEU 1 Ca 0.00 -1.18 0.08 0.00 0.06 0.00 0.00 54.13 53.09 3k4u s LEU 1 Cb 0.00 -0.16 -0.04 0.00 -0.56 0.00 0.00 46.19 45.42 3k4u s LEU 1 CO 0.00 -0.53 -0.10 -0.60 -1.06 0.00 0.00 176.35 174.06 3k4u s ARG 2 N -3.88 2.08 0.00 1.48 3.52 -1.26 -4.95 118.95 115.94 3k4u s ARG 2 Ca 0.25 -1.15 0.00 0.00 -0.13 0.00 0.00 55.73 54.70 3k4u s ARG 2 Cb 0.06 -2.23 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 3k4u s ARG 2 CO 0.06 0.47 0.00 0.41 -0.81 0.00 0.00 175.30 175.43 3k4u n GLY 3 N 0.37 1.21 3.10 8.12 0.00 -1.26 -4.99 105.19 111.74 3k4u n GLY 3 Ca -0.12 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 3k4u n GLY 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k4u s GLU 4 N 0.00 0.63 -0.35 1.61 -1.05 -1.26 -3.05 118.70 115.23 3k4u s GLU 4 Ca 0.00 -0.91 -0.16 0.00 -0.15 0.00 0.00 54.97 53.75 3k4u s GLU 4 Cb 0.00 -0.32 -0.01 0.00 -0.44 0.00 0.00 34.13 33.36 3k4u s GLU 4 CO 0.00 0.05 0.39 -1.17 0.95 0.00 0.00 175.26 175.48 3k4u s LEU 5 N -1.95 4.45 -0.30 1.83 2.96 0.55 -4.86 118.68 121.37 3k4u s LEU 5 Ca -0.04 -0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 53.50 3k4u s LEU 5 Cb -0.06 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 3k4u s LEU 5 CO -0.01 -0.37 0.36 -0.13 -1.32 0.00 0.00 176.35 174.88 3k4u s ARG 6 N 2.08 3.85 -0.19 1.98 0.52 -1.26 -1.97 118.95 123.97 3k4u s ARG 6 Ca 0.13 -0.14 -0.00 0.00 -0.52 0.00 0.00 55.73 55.20 3k4u s ARG 6 Cb -0.16 -3.71 0.01 0.00 0.52 0.00 0.00 34.95 31.61 3k4u s ARG 6 CO 0.12 -0.36 -0.16 0.08 0.02 0.00 0.00 175.30 175.00 3k4u s VAL 7 N 2.05 2.43 0.14 3.52 1.01 0.06 -0.75 120.40 128.85 3k4u s VAL 7 Ca 0.13 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 3k4u s VAL 7 Cb -0.16 -2.04 -0.07 0.00 0.00 0.00 0.00 36.38 34.10 3k4u s VAL 7 CO 0.11 0.51 0.80 -0.83 0.00 0.00 0.00 175.10 175.69 3k4u s GLY 8 N 1.29 2.92 0.07 4.51 0.00 -0.99 -0.25 107.32 114.87 3k4u s GLY 8 Ca 0.04 0.39 -0.26 0.00 0.00 0.00 0.00 44.72 44.89 3k4u s GLY 8 CO -0.09 1.00 0.74 0.48 0.00 0.00 0.00 173.10 175.22 3k4u s LEU 9 N -0.80 -0.48 -0.25 0.66 0.05 -1.18 -2.79 118.68 113.88 3k4u s LEU 9 Ca 0.38 0.05 0.00 0.00 0.05 0.00 0.00 54.13 54.61 3k4u s LEU 9 Cb -0.23 2.34 0.04 0.00 -2.05 0.00 0.00 46.19 46.29 3k4u s LEU 9 CO 0.26 -0.79 -0.09 -0.70 -0.55 0.00 0.00 176.35 174.49 3k4u s GLU 10 N -3.28 2.57 0.59 1.48 2.12 -1.25 -0.68 118.70 120.24 3k4u s GLU 10 Ca 0.02 -1.14 -0.18 0.00 0.36 0.00 0.00 54.97 54.03 3k4u s GLU 10 Cb -0.01 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 3k4u s GLU 10 CO -0.10 -0.48 1.14 -2.14 -0.54 0.00 0.00 175.26 173.15 3k4u s PRO 11 N 1.23 3.11 0.00 4.30 0.02 -1.26 -4.11 135.00 138.28 3k4u s PRO 11 Ca -0.03 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.58 3k4u s PRO 11 Cb -0.18 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3k4u s PRO 11 CO -0.05 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 175.98 3k4u n GLY 12 N 0.06 0.82 3.48 0.52 0.00 0.16 -4.94 105.19 105.29 3k4u n GLY 12 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 3k4u n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k4u s TYR 13 N -2.00 3.30 0.29 1.61 6.04 -1.01 -4.76 117.35 120.83 3k4u s TYR 13 Ca 0.00 -1.89 -0.30 0.00 0.04 0.00 0.00 57.07 54.93 3k4u s TYR 13 Cb 0.00 -4.38 -0.12 0.00 -1.04 0.00 0.00 41.96 36.42 3k4u s TYR 13 CO 0.00 -1.49 1.49 1.28 -1.54 0.00 0.00 175.55 175.29 3k4u n LEU 14 N 6.29 3.94 -2.12 6.97 4.32 -1.24 -1.03 117.00 134.13 3k4u n LEU 14 Ca 0.36 1.16 -0.17 0.00 -0.02 0.00 0.00 56.01 57.34 3k4u n LEU 14 Cb 0.45 -1.53 0.22 0.00 -1.62 0.00 0.00 43.42 40.93 3k4u n LEU 14 CO 0.62 -0.12 1.18 -0.81 -1.22 0.00 0.00 177.39 177.04 3k4u n PRO 15 N 1.71 2.73 0.07 3.23 -0.04 -1.26 -3.40 135.00 138.03 3k4u n PRO 15 Ca 0.08 -2.93 -0.21 0.00 -0.04 0.00 0.00 63.50 60.40 3k4u n PRO 15 Cb 0.35 -2.16 -0.15 0.00 -0.04 0.00 0.00 33.50 31.51 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 1.55 0.65 -2.67 0.54 0.04 -1.42 -1.05 116.94 114.58 3k4u h PHE 16 Ca 0.49 -0.47 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 3k4u h PHE 16 Cb 2.63 -0.03 -0.20 0.00 2.20 0.00 0.00 35.95 40.55 3k4u h PHE 16 CO 1.44 1.36 -0.13 -1.21 -0.60 0.00 0.00 178.31 179.18 3k4u s GLU 17 N -2.49 0.75 -0.17 1.51 8.01 -0.86 -1.83 118.70 123.61 3k4u s GLU 17 Ca -0.13 0.10 -0.03 0.00 0.01 0.00 0.00 54.97 54.93 3k4u s GLU 17 Cb 0.02 0.35 -0.02 0.00 -4.31 0.00 0.00 34.13 30.16 3k4u s GLU 17 CO 0.86 -0.20 -0.05 0.15 0.01 0.00 0.00 175.26 176.03 3k4u s LYS 19 N -0.97 3.52 0.46 1.61 1.02 -1.26 0.35 119.74 124.47 3k4u s LYS 19 Ca -0.10 -0.58 0.15 0.00 0.02 0.00 0.00 55.97 55.45 3k4u s LYS 19 Cb -0.03 -2.91 1.03 0.00 -0.52 0.00 0.00 37.83 35.40 3k4u s LYS 19 CO 0.05 0.08 2.01 0.38 -0.92 0.00 0.00 175.35 176.95 3k4u h ASP 20 N 7.21 0.00 0.00 2.83 -0.00 -1.05 -3.46 116.42 121.95 3k4u h ASP 20 Ca -0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.70 3k4u h ASP 20 Cb 1.19 -0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 3k4u h ASP 20 CO 0.60 0.16 0.00 1.17 -0.00 0.00 0.00 179.24 181.17 3k4u n LYS 21 N -4.35 0.00 -0.01 4.15 0.00 -1.26 -4.64 118.16 112.05 3k4u n LYS 21 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.41 3k4u n LYS 21 Cb 0.23 -0.20 0.33 0.00 0.00 0.00 0.00 35.03 35.39 3k4u n LYS 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3k4u n LYS 22 N -2.00 1.98 -0.88 1.64 4.81 -1.26 -4.94 118.16 117.50 3k4u n LYS 22 Ca 0.00 -1.43 0.00 0.00 -0.87 0.00 0.00 58.31 56.01 3k4u n LYS 22 Cb 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.58 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 1.26 0.62 3.83 3.14 0.00 -1.26 -5.06 105.19 107.71 3k4u n GLY 23 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.16 6.94 0.14 1.61 0.01 -1.26 -4.76 114.94 115.46 3k4u s ASN 24 Ca 0.00 1.18 -0.28 0.00 -0.71 0.00 0.00 52.86 53.05 3k4u s ASN 24 Cb 0.00 -2.33 -0.07 0.00 0.41 0.00 0.00 41.25 39.26 3k4u s ASN 24 CO 0.00 0.17 0.89 0.68 -1.51 0.00 0.00 177.10 177.33 3k4u s VAL 25 N -1.32 4.43 0.24 1.60 -7.23 -1.26 -0.43 120.40 116.42 3k4u s VAL 25 Ca 0.34 1.93 0.01 0.00 -1.81 0.00 0.00 61.98 62.45 3k4u s VAL 25 Cb -0.17 -4.25 -0.04 0.00 0.56 0.00 0.00 36.38 32.48 3k4u s VAL 25 CO 0.19 0.40 0.14 0.27 -0.31 0.00 0.00 175.10 175.79 3k4u s ILE 26 N -0.47 0.18 0.00 -0.62 -4.36 -1.26 -4.92 121.20 109.75 3k4u s ILE 26 Ca 0.42 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 3k4u s ILE 26 Cb -0.23 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 40.94 3k4u s ILE 26 CO 0.28 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.07 3k4u n GLY 27 N -0.38 2.02 0.11 6.27 0.00 -1.26 -4.00 105.19 107.95 3k4u n GLY 27 Ca 0.02 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 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 0.09 -0.71 1.61 3.57 -0.82 -1.02 116.94 119.66 3k4u h PHE 28 Ca 0.00 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.64 3k4u h PHE 28 Cb 0.00 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 3k4u h PHE 28 CO 0.00 0.03 0.47 -0.44 -2.23 0.00 0.00 178.31 176.15 3k4u h ASP 29 N 0.14 0.41 0.03 0.41 3.45 -1.60 -2.25 116.42 117.01 3k4u h ASP 29 Ca 0.09 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 3k4u h ASP 29 Cb 0.08 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 3k4u h ASP 29 CO -0.11 0.23 -0.01 0.58 -1.57 0.00 0.00 179.24 178.35 3k4u h VAL 30 N 0.45 1.40 -1.07 -1.35 2.07 -1.36 0.90 116.25 117.29 3k4u h VAL 30 Ca 0.34 -1.57 0.30 0.00 0.82 0.00 0.00 66.70 66.60 3k4u h VAL 30 Cb 0.71 2.42 -0.12 0.00 -1.52 0.00 0.00 31.29 32.78 3k4u h VAL 30 CO -0.11 0.39 0.66 0.44 0.02 0.00 0.00 177.57 178.97 3k4u h ASP 31 N -0.75 0.48 0.12 0.57 3.32 -1.29 0.79 116.42 119.65 3k4u h ASP 31 Ca -0.00 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3k4u h ASP 31 Cb 0.67 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3k4u h ASP 31 CO 0.01 -0.01 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.39 3k4u h LEU 32 N 0.37 -0.14 -1.69 1.55 4.07 -1.19 -0.77 115.31 117.51 3k4u h LEU 32 Ca 0.68 -0.33 0.09 0.00 0.08 0.00 0.00 57.88 58.40 3k4u h LEU 32 Cb 1.67 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 43.41 3k4u h LEU 32 CO -0.44 0.28 0.37 0.00 -1.08 0.00 0.00 178.44 177.57 3k4u h ALA 33 N 0.21 2.04 -0.18 1.53 0.00 0.02 -1.25 119.26 121.63 3k4u h ALA 33 Ca -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3k4u h ALA 33 Cb 0.46 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3k4u h ALA 33 CO 0.03 -0.16 -0.18 -0.09 0.00 0.00 0.00 179.25 178.85 3k4u h ARG 34 N 0.35 0.44 -0.70 0.00 2.43 0.72 -2.21 114.38 115.41 3k4u h ARG 34 Ca 0.25 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3k4u h ARG 34 Cb 0.51 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3k4u h ARG 34 CO -0.06 0.80 0.00 0.39 -1.51 0.00 0.00 179.97 179.59 3k4u n GLU 35 N -4.48 0.10 0.00 0.20 -0.58 -0.31 -2.27 120.64 113.30 3k4u n GLU 35 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3k4u n GLU 35 Cb 0.39 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 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 0.62 0.00 0.13 0.62 0.00 -0.83 -1.39 120.51 119.66 3k4u n ALA 37 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3k4u n ALA 37 Cb 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.54 -1.23 0.00 3.11 -1.63 -1.70 116.57 114.58 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 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 3k4u h LYS 38 CO 0.00 -0.36 0.00 0.00 -2.81 0.00 0.00 179.45 176.28 3k4u n ALA 39 N -2.68 0.77 -2.67 5.00 0.00 -0.48 -4.37 120.51 116.07 3k4u n ALA 39 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 3k4u n ALA 39 Cb 0.33 -0.55 0.04 0.00 0.00 0.00 0.00 19.45 19.27 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 0.67 -0.04 3.66 0.00 0.00 -0.70 -5.20 105.19 103.58 3k4u n GLY 41 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 0.10 0.00 0.09 1.61 0.11 -0.84 -4.94 120.40 116.53 3k4u s VAL 42 Ca 0.11 -1.29 -0.05 0.00 -2.93 0.00 0.00 61.98 57.83 3k4u s VAL 42 Cb 0.20 -2.14 -0.05 0.00 -1.53 0.00 0.00 36.38 32.86 3k4u s VAL 42 CO -0.05 -0.00 0.32 -0.54 -3.33 0.00 0.00 175.10 171.49 3k4u s LYS 43 N -3.99 3.59 -0.24 1.54 1.02 -1.17 -4.24 119.74 116.25 3k4u s LYS 43 Ca 0.19 -0.13 -0.17 0.00 0.02 0.00 0.00 55.97 55.88 3k4u s LYS 43 Cb -0.02 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 3k4u s LYS 43 CO 0.08 0.55 0.48 -1.17 -0.92 0.00 0.00 175.35 174.37 3k4u s LEU 44 N -2.33 4.09 -0.14 3.17 2.96 -1.26 0.21 118.68 125.37 3k4u s LEU 44 Ca 0.36 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.81 3k4u s LEU 44 Cb -0.13 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 3k4u s LEU 44 CO 0.22 -0.21 -0.16 -0.75 -1.32 0.00 0.00 176.35 174.14 3k4u s LYS 45 N 1.94 3.26 -0.09 1.98 2.20 -0.83 -4.94 119.74 123.25 3k4u s LYS 45 Ca 0.21 -0.74 -0.14 0.00 -0.36 0.00 0.00 55.97 54.94 3k4u s LYS 45 Cb -0.15 -2.59 -0.05 0.00 -1.51 0.00 0.00 37.83 33.53 3k4u s LYS 45 CO 0.09 0.11 0.34 -0.51 -0.36 0.00 0.00 175.35 175.03 3k4u s LEU 46 N 0.57 4.35 -0.69 5.43 1.43 -1.26 -0.76 118.68 127.75 3k4u s LEU 46 Ca -0.09 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 3k4u s LEU 46 Cb -0.16 -2.46 0.17 0.00 0.03 0.00 0.00 46.19 43.77 3k4u s LEU 46 CO 0.04 0.20 0.50 -0.69 0.23 0.00 0.00 176.35 176.62 3k4u s VAL 47 N -0.22 3.23 0.21 -1.59 1.01 0.66 -4.91 120.40 118.79 3k4u s VAL 47 Ca 0.20 -3.84 -0.32 0.00 0.00 0.00 0.00 61.98 58.02 3k4u s VAL 47 Cb -0.14 -3.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.99 3k4u s VAL 47 CO 0.08 -0.96 1.46 -2.65 0.00 0.00 0.00 175.10 173.03 3k4u n PRO 48 N 2.47 2.04 -3.93 2.72 -0.02 -1.26 -3.13 135.00 133.89 3k4u n PRO 48 Ca 0.15 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.27 3k4u n PRO 48 Cb 0.35 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 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 0.29 0.11 0.67 3.45 2.01 0.14 -4.89 115.64 117.42 3k4u s THR 49 Ca 0.72 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 3k4u s THR 49 Cb -0.67 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 71.33 3k4u s THR 49 CO 0.45 -0.49 1.04 -0.94 -0.69 0.00 0.00 174.62 173.99 3k4u s SER 50 N -1.63 5.56 0.16 3.53 1.04 -1.26 -3.93 113.70 117.17 3k4u s SER 50 Ca -0.12 1.05 -0.11 0.00 0.48 0.00 0.00 55.95 57.25 3k4u s SER 50 Cb -0.06 -1.92 0.03 0.00 0.10 0.00 0.00 66.02 64.16 3k4u s SER 50 CO -0.01 -1.22 1.59 -0.25 0.98 0.00 0.00 173.24 174.33 3k4u h TRP 51 N -0.49 1.08 0.00 5.02 2.91 -1.97 -2.12 115.95 120.38 3k4u h TRP 51 Ca -0.45 -0.21 0.00 0.00 1.13 0.00 0.00 58.89 59.36 3k4u h TRP 51 Cb 1.25 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.63 3k4u h TRP 51 CO 0.51 1.01 0.00 -0.40 -1.03 0.00 0.00 178.44 178.53 3k4u n ASP 52 N -4.21 0.00 -0.08 2.65 3.85 -1.26 -2.53 116.55 114.97 3k4u n ASP 52 Ca 0.01 -0.92 0.01 0.00 -0.71 0.00 0.00 54.79 53.18 3k4u n ASP 52 Cb 0.37 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.15 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 0.52 -0.50 0.33 6.12 0.00 -0.81 -4.68 105.19 106.17 3k4u n GLY 53 Ca 0.16 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 0.37 -0.66 -0.02 0.99 3.38 -1.38 -1.20 115.31 116.79 3k4u h LEU 54 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k4u h LEU 54 Cb 0.10 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3k4u h LEU 54 CO 0.00 -0.42 0.01 0.40 0.09 0.00 0.00 178.44 178.52 3k4u h ILE 55 N -0.87 1.06 -0.09 1.22 2.04 -1.84 -1.03 117.51 118.00 3k4u h ILE 55 Ca -0.08 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 3k4u h ILE 55 Cb 0.63 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3k4u h ILE 55 CO 0.13 0.05 -0.32 -0.65 0.00 0.00 0.00 178.15 177.36 3k4u h PRO 56 N -0.04 0.16 -0.70 2.37 0.11 -1.83 0.91 132.00 132.98 3k4u h PRO 56 Ca 0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3k4u h PRO 56 Cb 0.07 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 3k4u h PRO 56 CO -0.00 0.47 0.37 0.78 -0.21 0.00 0.00 178.00 179.42 3k4u h GLY 57 N 1.06 1.05 0.85 -0.55 0.00 -0.97 0.18 103.07 104.69 3k4u h GLY 57 Ca 0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 3k4u h GLY 57 CO 0.05 0.45 -0.14 -2.00 0.00 0.00 0.00 176.54 174.90 3k4u h LEU 58 N 0.99 0.54 -0.87 3.11 5.85 0.25 -0.67 115.31 124.50 3k4u h LEU 58 Ca 0.25 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 3k4u h LEU 58 Cb 0.05 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3k4u h LEU 58 CO -0.04 0.84 -0.07 0.58 -0.34 0.00 0.00 178.44 179.41 3k4u h VAL 59 N 0.23 1.25 0.00 1.05 2.07 -0.62 -2.74 116.25 117.49 3k4u h VAL 59 Ca 0.05 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3k4u h VAL 59 Cb 0.65 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3k4u h VAL 59 CO 0.04 0.38 0.00 0.41 0.02 0.00 0.00 177.57 178.42 3k4u n THR 60 N -4.18 0.12 -1.04 2.57 -1.04 0.59 -4.91 114.28 106.39 3k4u n THR 60 Ca 0.02 0.03 -0.02 0.00 -2.04 0.00 0.00 64.05 62.04 3k4u n THR 60 Cb 0.34 -0.57 -0.01 0.00 -1.82 0.00 0.00 70.33 68.27 3k4u n THR 60 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3k4u n GLU 61 N -1.35 -0.49 -0.15 -2.82 1.02 -0.82 -4.90 120.64 111.13 3k4u n GLU 61 Ca 0.11 0.29 0.24 0.00 -0.02 0.00 0.00 57.16 57.78 3k4u n GLU 61 Cb 0.25 -3.78 0.67 0.00 -0.02 0.00 0.00 31.44 28.55 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 0.53 0.09 -4.16 3.49 1.57 -1.41 -3.45 116.57 113.23 3k4u h LYS 62 Ca -0.03 -0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.44 3k4u h LYS 62 Cb 0.29 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.50 3k4u h LYS 62 CO 0.05 0.06 -0.19 -0.59 -0.57 0.00 0.00 179.45 178.21 3k4u s PHE 63 N -5.09 1.13 -0.18 -1.35 -0.12 -1.18 -4.98 117.98 106.21 3k4u s PHE 63 Ca -0.06 -1.34 0.17 0.00 -0.05 0.00 0.00 56.93 55.65 3k4u s PHE 63 Cb 0.21 -0.10 -0.25 0.00 -0.63 0.00 0.00 43.02 42.26 3k4u s PHE 63 CO 0.76 -1.16 0.12 -0.25 -0.05 0.00 0.00 175.22 174.65 3k4u n ASP 64 N -1.54 0.17 -3.56 1.98 8.00 0.07 -4.71 116.55 116.96 3k4u n ASP 64 Ca 0.01 0.04 -0.15 0.00 0.71 0.00 0.00 54.79 55.40 3k4u n ASP 64 Cb 0.61 0.83 -0.05 0.00 -0.02 0.00 0.00 41.12 42.49 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 -2.50 0.02 -0.27 0.53 2.07 -1.21 -4.49 121.20 115.35 3k4u s ILE 65 Ca -0.10 -0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 58.94 3k4u s ILE 65 Cb 0.06 -0.96 0.02 0.00 0.13 0.00 0.00 42.46 41.72 3k4u s ILE 65 CO 0.82 -0.09 -0.01 -0.63 -1.91 0.00 0.00 174.94 173.12 3k4u s ILE 66 N -2.08 3.20 -0.61 2.00 1.01 0.35 -2.34 121.20 122.72 3k4u s ILE 66 Ca -0.07 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.66 3k4u s ILE 66 Cb -0.01 -2.65 0.16 0.00 0.01 0.00 0.00 42.46 39.96 3k4u s ILE 66 CO 0.01 0.13 0.40 -0.63 0.00 0.00 0.00 174.94 174.86 3k4u s ILE 67 N 1.37 2.51 -0.03 2.92 1.01 -1.12 -2.59 121.20 125.26 3k4u s ILE 67 Ca 0.00 -3.77 0.13 0.00 0.00 0.00 0.00 60.65 57.01 3k4u s ILE 67 Cb -0.17 -2.68 0.23 0.00 0.01 0.00 0.00 42.46 39.85 3k4u s ILE 67 CO -0.02 -0.96 1.10 -0.24 0.00 0.00 0.00 174.94 174.82 3k4u n SER 68 N 2.46 0.79 -2.35 3.58 2.88 -1.26 -4.76 113.62 114.97 3k4u n SER 68 Ca 0.16 -2.30 -0.03 0.00 -1.33 0.00 0.00 58.87 55.36 3k4u n SER 68 Cb 0.35 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.08 -5.25 3.07 0.46 0.00 -1.26 -4.88 105.19 97.26 3k4u n GLY 69 Ca 0.06 0.92 -0.23 0.00 0.00 0.00 0.00 46.02 46.77 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 1.11 -0.34 2.61 2.01 -1.26 -4.94 115.64 114.26 3k4u s THR 71 Ca -0.15 -0.55 -0.28 0.00 0.31 0.00 0.00 61.69 61.02 3k4u s THR 71 Cb 0.01 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.58 3k4u s THR 71 CO 0.41 0.33 1.04 -0.63 -0.69 0.00 0.00 174.62 175.08 3k4u s ILE 72 N 0.03 4.51 0.11 1.82 1.01 0.13 -4.79 121.20 124.01 3k4u s ILE 72 Ca -0.02 1.56 0.07 0.00 0.00 0.00 0.00 60.65 62.26 3k4u s ILE 72 Cb -0.09 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 3k4u s ILE 72 CO 0.01 -0.53 -0.17 -0.94 0.00 0.00 0.00 174.94 173.31 3k4u s SER 73 N 1.77 2.21 0.32 3.58 1.04 -1.26 -4.72 113.70 116.64 3k4u s SER 73 Ca 0.44 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 56.18 3k4u s SER 73 Cb -0.12 -0.10 0.53 0.00 0.10 0.00 0.00 66.02 66.43 3k4u s SER 73 CO 0.17 -0.04 1.83 1.56 0.98 0.00 0.00 173.24 177.74 3k4u h GLN 74 N 3.87 0.54 -0.33 4.02 7.50 -1.97 0.23 115.11 128.97 3k4u h GLN 74 Ca -0.43 -0.14 -0.05 0.00 0.50 0.00 0.00 58.65 58.53 3k4u h GLN 74 Cb 1.19 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.64 3k4u h GLN 74 CO 0.44 0.61 -0.01 1.49 -1.50 0.00 0.00 178.83 179.86 3k4u h GLU 75 N 0.50 0.59 -0.12 1.46 4.81 -2.00 -2.48 114.58 117.34 3k4u h GLU 75 Ca 0.10 -0.19 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 3k4u h GLU 75 Cb 0.42 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3k4u h GLU 75 CO 0.02 0.72 -0.63 0.00 -0.73 0.00 0.00 179.01 178.39 3k4u h ARG 76 N 0.39 0.43 0.00 1.92 3.08 -1.92 -3.07 114.38 115.22 3k4u h ARG 76 Ca 0.09 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3k4u h ARG 76 Cb 0.46 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3k4u h ARG 76 CO 0.02 0.92 0.00 -1.71 -1.07 0.00 0.00 179.97 178.13 3k4u n ASN 77 N -3.90 0.60 0.26 7.04 4.05 0.06 0.10 115.26 123.46 3k4u n ASN 77 Ca -0.03 0.66 0.13 0.00 0.45 0.00 0.00 54.58 55.78 3k4u n ASN 77 Cb 0.64 -0.79 0.67 0.00 1.23 0.00 0.00 39.78 41.54 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 -1.34 -3.38 115.31 115.17 3k4u h LEU 78 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3k4u h LEU 78 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3k4u h LEU 78 CO 0.00 0.14 -1.57 0.54 0.09 0.00 0.00 178.44 177.64 3k4u n ARG 79 N -3.50 0.58 -4.62 1.13 1.74 0.11 -5.02 116.66 107.09 3k4u n ARG 79 Ca -0.01 0.05 -0.28 0.00 -0.77 0.00 0.00 57.85 56.84 3k4u n ARG 79 Cb 0.29 -1.20 -0.11 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.20 1.98 0.06 1.55 -7.23 -0.86 -4.68 120.40 109.02 3k4u s VAL 80 Ca -0.12 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.05 3k4u s VAL 80 Cb 0.03 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 3k4u s VAL 80 CO 0.25 0.00 0.16 0.20 -0.31 0.00 0.00 175.10 175.39 3k4u s ASN 81 N -3.71 6.05 0.14 4.85 0.01 -0.32 -4.30 114.94 117.66 3k4u s ASN 81 Ca 0.35 0.18 0.09 0.00 -0.71 0.00 0.00 52.86 52.76 3k4u s ASN 81 Cb 0.10 -1.79 -0.04 0.00 0.41 0.00 0.00 41.25 39.93 3k4u s ASN 81 CO 0.18 0.18 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.46 3k4u s PHE 82 N -1.44 2.62 0.21 2.20 0.08 -1.26 -1.54 117.98 118.85 3k4u s PHE 82 Ca 0.32 -0.22 -0.09 0.00 0.12 0.00 0.00 56.93 57.05 3k4u s PHE 82 Cb -0.13 -1.34 -0.07 0.00 -0.57 0.00 0.00 43.02 40.92 3k4u s PHE 82 CO 0.24 0.45 0.52 0.08 -0.10 0.00 0.00 175.22 176.41 3k4u s VAL 83 N -1.39 4.97 0.14 -0.44 1.01 -0.67 -4.99 120.40 119.02 3k4u s VAL 83 Ca 0.21 0.41 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 3k4u s VAL 83 Cb -0.10 -3.62 -0.16 0.00 0.00 0.00 0.00 36.38 32.50 3k4u s VAL 83 CO 0.13 -0.04 0.59 -0.62 0.00 0.00 0.00 175.10 175.16 3k4u n GLU 84 N -0.06 0.00 -1.08 2.72 -0.58 -1.26 -4.38 120.64 115.99 3k4u n GLU 84 Ca -0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.42 3k4u n GLU 84 Cb 0.52 -1.01 0.12 0.00 -0.57 0.00 0.00 31.44 30.50 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 -0.68 1.78 -0.00 3.49 0.04 -1.26 -4.76 135.00 133.60 3k4u s PRO 85 Ca 0.64 1.39 0.05 0.00 0.04 0.00 0.00 61.00 63.12 3k4u s PRO 85 Cb -0.91 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 31.73 3k4u s PRO 85 CO 0.51 -2.03 0.15 2.48 0.04 0.00 0.00 177.00 178.14 3k4u n TYR 86 N -3.66 0.00 -3.67 0.56 0.18 0.16 -4.95 117.16 105.78 3k4u n TYR 86 Ca 0.11 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.74 3k4u n TYR 86 Cb 0.52 -0.08 -0.07 0.00 -0.38 0.00 0.00 39.34 39.33 3k4u n TYR 86 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 3k4u s ILE 87 N -2.08 0.04 -0.07 -3.48 2.07 -1.24 -5.05 121.20 111.38 3k4u s ILE 87 Ca -0.01 -0.32 0.05 0.00 -1.41 0.00 0.00 60.65 58.96 3k4u s ILE 87 Cb 0.03 -0.80 -0.01 0.00 0.13 0.00 0.00 42.46 41.82 3k4u s ILE 87 CO 0.21 -0.18 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.16 3k4u s VAL 88 N -1.50 2.31 0.14 4.00 1.01 -1.26 -1.43 120.40 123.66 3k4u s VAL 88 Ca -0.11 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3k4u s VAL 88 Cb -0.03 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3k4u s VAL 88 CO 0.05 0.56 0.01 -0.69 0.00 0.00 0.00 175.10 175.03 3k4u s VAL 89 N -0.07 0.44 0.11 2.92 1.01 -0.66 -4.99 120.40 119.15 3k4u s VAL 89 Ca -0.06 -1.93 -0.01 0.00 0.00 0.00 0.00 61.98 59.98 3k4u s VAL 89 Cb -0.14 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3k4u s VAL 89 CO 0.04 -0.56 0.02 -0.83 0.00 0.00 0.00 175.10 173.77 3k4u s GLY 90 N -3.09 0.86 0.29 4.51 0.00 -1.26 -1.09 107.32 107.53 3k4u s GLY 90 Ca 0.21 -1.41 -0.28 0.00 0.00 0.00 0.00 44.72 43.24 3k4u s GLY 90 CO 0.01 -1.37 1.01 1.20 0.00 0.00 0.00 173.10 173.95 3k4u s GLN 91 N -3.99 4.65 0.42 2.90 1.11 -1.26 0.33 119.66 123.82 3k4u s GLN 91 Ca 0.19 1.58 0.04 0.00 0.01 0.00 0.00 55.36 57.18 3k4u s GLN 91 Cb 0.07 -3.08 -0.02 0.00 -1.01 0.00 0.00 33.01 28.98 3k4u s GLN 91 CO -0.01 0.29 0.15 -1.12 0.01 0.00 0.00 175.29 174.60 3k4u s SER 92 N -1.19 2.89 -0.05 5.90 0.01 0.02 -1.14 113.70 120.14 3k4u s SER 92 Ca 0.46 -1.74 0.05 0.00 1.31 0.00 0.00 55.95 56.03 3k4u s SER 92 Cb -0.26 0.61 -0.00 0.00 0.21 0.00 0.00 66.02 66.57 3k4u s SER 92 CO 0.33 -0.99 -0.19 -0.76 0.41 0.00 0.00 173.24 172.04 3k4u s LEU 93 N -3.63 1.95 -0.18 2.44 1.43 -0.88 -2.52 118.68 117.30 3k4u s LEU 93 Ca 0.22 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 3k4u s LEU 93 Cb 0.01 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 3k4u s LEU 93 CO 0.15 0.17 -0.04 -0.76 0.23 0.00 0.00 176.35 176.11 3k4u s LEU 94 N 0.00 3.11 0.27 1.79 1.43 0.84 -0.60 118.68 125.52 3k4u s LEU 94 Ca -0.04 -0.23 0.10 0.00 -1.03 0.00 0.00 54.13 52.93 3k4u s LEU 94 Cb -0.12 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3k4u s LEU 94 CO 0.03 0.10 -0.17 0.68 0.23 0.00 0.00 176.35 177.22 3k4u s VAL 95 N 0.80 2.21 0.63 -1.59 -7.23 -0.57 0.11 120.40 114.75 3k4u s VAL 95 Ca -0.01 -2.32 -0.15 0.00 -1.81 0.00 0.00 61.98 57.69 3k4u s VAL 95 Cb -0.15 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 3k4u s VAL 95 CO 0.02 -0.43 1.08 -0.75 -0.31 0.00 0.00 175.10 174.71 3k4u s LYS 96 N -3.57 3.07 0.38 4.82 2.36 -0.63 -0.59 119.74 125.59 3k4u s LYS 96 Ca 0.28 1.29 -0.23 0.00 -2.55 0.00 0.00 55.97 54.75 3k4u s LYS 96 Cb -0.03 -1.99 -0.14 0.00 -1.05 0.00 0.00 37.83 34.62 3k4u s LYS 96 CO 0.13 -1.02 0.54 1.63 1.55 0.00 0.00 175.35 178.18 3k4u n LYS 97 N -2.23 0.52 0.00 4.03 5.02 -1.19 -2.56 118.16 121.76 3k4u n LYS 97 Ca 0.09 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3k4u n LYS 97 Cb 0.52 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3k4u n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4u n GLY 98 N 1.81 1.35 0.00 0.72 0.00 -1.26 -4.75 105.19 103.06 3k4u n GLY 98 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.06 0.99 7.94 -1.06 -0.85 117.00 124.08 3k4u n LEU 99 Ca 0.00 0.31 0.11 0.00 -1.11 0.00 0.00 56.01 55.32 3k4u n LEU 99 Cb 0.00 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 43.65 3k4u n LEU 99 CO 0.00 -0.29 -0.05 -1.84 -1.11 0.00 0.00 177.39 174.10 3k4u n GLU 100 N -1.31 0.49 -1.75 1.96 0.00 -1.26 -4.92 120.64 113.84 3k4u n GLU 100 Ca 0.01 0.04 -0.42 0.00 0.00 0.00 0.00 57.16 56.79 3k4u n GLU 100 Cb 0.02 -1.70 -0.01 0.00 0.00 0.00 0.00 31.44 29.74 3k4u n GLU 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3k4u n LYS 101 N -2.36 2.65 -3.66 3.44 5.02 -0.03 -2.92 118.16 120.30 3k4u n LYS 101 Ca 0.00 0.94 -0.21 0.00 -2.02 0.00 0.00 58.31 57.02 3k4u n LYS 101 Cb 0.51 -2.69 0.04 0.00 -0.02 0.00 0.00 35.03 32.88 3k4u n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4u n GLY 102 N 1.46 -0.32 2.91 0.72 0.00 -1.26 -5.01 105.19 103.68 3k4u n GLY 102 Ca 0.06 0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.58 0.75 -0.19 1.61 -7.23 -1.15 -5.04 120.40 105.57 3k4u s VAL 103 Ca 0.05 -0.21 0.14 0.00 -1.81 0.00 0.00 61.98 60.16 3k4u s VAL 103 Cb -0.03 -0.76 -0.22 0.00 0.56 0.00 0.00 36.38 35.93 3k4u s VAL 103 CO 0.79 0.29 0.02 0.29 -0.31 0.00 0.00 175.10 176.19 3k4u n LYS 104 N 4.30 0.91 -4.37 4.82 5.02 -1.26 -5.04 118.16 122.54 3k4u n LYS 104 Ca -0.20 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 55.88 3k4u n LYS 104 Cb 0.51 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 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 -5.43 2.16 0.59 4.39 1.04 -1.26 -5.04 113.70 110.15 3k4u s SER 105 Ca -0.13 -1.77 0.36 0.00 0.48 0.00 0.00 55.95 54.89 3k4u s SER 105 Cb 0.06 0.58 1.84 0.00 0.10 0.00 0.00 66.02 68.60 3k4u s SER 105 CO 0.73 -1.05 2.18 0.10 0.98 0.00 0.00 173.24 176.18 3k4u h TYR 106 N 1.97 0.00 -0.01 5.02 -0.00 -1.98 -3.27 116.97 118.70 3k4u h TYR 106 Ca -0.27 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.31 3k4u h TYR 106 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.96 3k4u h TYR 106 CO 1.77 0.03 -0.68 0.87 -0.00 0.00 0.00 178.16 180.16 3k4u h LYS 107 N 0.00 0.03 0.00 0.10 1.57 -1.97 -2.32 116.57 113.99 3k4u h LYS 107 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3k4u h LYS 107 Cb 0.23 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3k4u h LYS 107 CO 0.00 0.70 0.00 -0.25 -0.57 0.00 0.00 179.45 179.33 3k4u n ASP 108 N -3.75 0.00 -0.36 0.86 10.43 -1.24 -2.92 116.55 119.57 3k4u n ASP 108 Ca -0.01 -0.04 0.04 0.00 2.57 0.00 0.00 54.79 57.35 3k4u n ASP 108 Cb 0.67 -0.05 0.06 0.00 1.84 0.00 0.00 41.12 43.64 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 -1.05 2.09 0.17 0.64 4.32 -0.87 -4.73 117.00 117.57 3k4u n LEU 109 Ca 0.02 -1.46 0.13 0.00 -0.02 0.00 0.00 56.01 54.68 3k4u n LEU 109 Cb 0.01 -0.07 0.54 0.00 -1.62 0.00 0.00 43.42 42.28 3k4u n LEU 109 CO 0.02 0.48 0.89 0.44 -1.22 0.00 0.00 177.39 178.00 3k4u h ASP 110 N 1.43 0.00 -0.82 -1.43 5.19 -1.70 -3.46 116.42 115.62 3k4u h ASP 110 Ca 0.00 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.79 3k4u h ASP 110 Cb 0.47 0.00 0.06 0.00 0.18 0.00 0.00 39.33 40.04 3k4u h ASP 110 CO 0.00 0.00 -0.13 0.29 -3.12 0.00 0.00 179.24 176.28 3k4u n LYS 111 N -2.45 0.00 0.21 3.56 4.01 -1.26 -1.71 118.16 120.51 3k4u n LYS 111 Ca 0.02 0.00 0.15 0.00 -0.51 0.00 0.00 58.31 57.96 3k4u n LYS 111 Cb 0.25 -1.09 0.58 0.00 -0.51 0.00 0.00 35.03 34.26 3k4u n LYS 111 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 3k4u h PRO 112 N 1.87 0.00 -0.72 1.97 0.14 -1.92 -0.87 132.00 132.48 3k4u h PRO 112 Ca -0.35 0.00 0.11 0.00 0.14 0.00 0.00 66.00 65.90 3k4u h PRO 112 Cb 1.18 0.00 -0.13 0.00 0.14 0.00 0.00 31.00 32.20 3k4u h PRO 112 CO 0.51 0.00 -0.38 1.49 0.14 0.00 0.00 178.00 179.76 3k4u h GLU 113 N 0.00 -0.12 -6.95 0.86 4.22 -1.88 -3.41 114.58 107.30 3k4u h GLU 113 Ca 0.00 0.01 -0.51 0.00 0.08 0.00 0.00 59.36 58.94 3k4u h GLU 113 Cb 0.47 0.03 0.06 0.00 0.50 0.00 0.00 28.75 29.80 3k4u h GLU 113 CO 0.00 -0.08 0.52 -0.51 -2.18 0.00 0.00 179.01 176.76 3k4u s LEU 114 N -10.74 4.17 -0.12 1.64 1.43 -0.33 -4.93 118.68 109.79 3k4u s LEU 114 Ca -0.14 2.40 -0.01 0.00 -1.03 0.00 0.00 54.13 55.35 3k4u s LEU 114 Cb 0.16 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 3k4u s LEU 114 CO 0.69 -0.75 -0.10 -0.89 0.23 0.00 0.00 176.35 175.52 3k4u s THR 115 N -1.40 3.34 -0.08 5.49 2.01 -1.26 -1.60 115.64 122.15 3k4u s THR 115 Ca 0.58 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 62.04 3k4u s THR 115 Cb -0.32 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 69.79 3k4u s THR 115 CO 0.40 0.53 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.50 3k4u s LEU 116 N 0.15 1.68 0.01 4.42 2.96 0.47 -1.83 118.68 126.55 3k4u s LEU 116 Ca -0.05 -0.35 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 3k4u s LEU 116 Cb -0.15 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 3k4u s LEU 116 CO 0.04 0.04 -0.24 0.68 -1.32 0.00 0.00 176.35 175.55 3k4u s VAL 117 N 0.73 1.90 0.29 1.68 -7.23 -1.26 -1.69 120.40 114.81 3k4u s VAL 117 Ca -0.13 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.86 3k4u s VAL 117 Cb -0.16 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 35.19 3k4u s VAL 117 CO 0.03 0.41 0.41 1.07 -0.31 0.00 0.00 175.10 176.71 3k4u n THR 118 N 2.14 0.00 -2.26 5.32 5.66 -0.95 -2.61 114.28 121.59 3k4u n THR 118 Ca -0.16 -1.40 -0.32 0.00 -3.05 0.00 0.00 64.05 59.12 3k4u n THR 118 Cb 0.52 0.88 -0.02 0.00 -1.55 0.00 0.00 70.33 70.17 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 -2.61 3.74 0.32 1.09 2.20 -1.26 -1.60 119.74 121.64 3k4u s LYS 119 Ca 0.23 1.01 -0.27 0.00 -0.36 0.00 0.00 55.97 56.58 3k4u s LYS 119 Cb -0.01 -2.10 -0.09 0.00 -1.51 0.00 0.00 37.83 34.11 3k4u s LYS 119 CO 0.16 -0.45 0.99 0.12 -0.36 0.00 0.00 175.35 175.82 3k4u s PHE 120 N -2.62 3.61 -1.35 4.03 5.36 -0.15 -4.16 117.98 122.69 3k4u s PHE 120 Ca 0.60 1.75 -0.03 0.00 -0.96 0.00 0.00 56.93 58.29 3k4u s PHE 120 Cb -0.12 -3.04 0.02 0.00 -0.34 0.00 0.00 43.02 39.54 3k4u s PHE 120 CO 0.35 -0.08 0.81 0.41 -1.46 0.00 0.00 175.22 175.24 3k4u n GLY 121 N 0.72 -0.35 3.10 13.12 0.00 -1.26 -5.00 105.19 115.52 3k4u n GLY 121 Ca 0.02 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.55 0.32 0.21 1.61 0.11 -1.26 -4.98 120.40 112.86 3k4u s VAL 122 Ca 0.17 -1.75 -0.05 0.00 -2.93 0.00 0.00 61.98 57.42 3k4u s VAL 122 Cb -0.08 -1.43 0.33 0.00 -1.53 0.00 0.00 36.38 33.66 3k4u s VAL 122 CO 0.80 -0.92 1.14 -1.20 -3.33 0.00 0.00 175.10 171.59 3k4u n SER 123 N 0.23 -0.25 -0.22 3.54 7.64 -1.26 0.13 113.62 123.43 3k4u n SER 123 Ca -0.15 1.25 -0.06 0.00 1.01 0.00 0.00 58.87 60.92 3k4u n SER 123 Cb 0.60 -0.38 0.04 0.00 -1.01 0.00 0.00 64.21 63.46 3k4u n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k4u h ALA 124 N 1.46 0.78 -0.82 -0.43 0.00 -1.91 -1.52 119.26 116.83 3k4u h ALA 124 Ca 0.36 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3k4u h ALA 124 Cb 0.56 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3k4u h ALA 124 CO -0.74 0.28 0.53 1.49 0.00 0.00 0.00 179.25 180.81 3k4u h GLU 125 N 0.83 1.03 -0.40 0.00 4.81 0.83 0.29 114.58 121.97 3k4u h GLU 125 Ca 0.22 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.24 3k4u h GLU 125 Cb 0.01 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 3k4u h GLU 125 CO -0.04 0.68 -0.33 1.88 -0.73 0.00 0.00 179.01 180.48 3k4u h TYR 126 N 1.06 1.11 0.63 0.92 0.05 -1.27 -2.61 116.97 116.85 3k4u h TYR 126 Ca 0.31 -0.31 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3k4u h TYR 126 Cb -0.06 -0.24 0.01 0.00 1.01 0.00 0.00 36.73 37.44 3k4u h TYR 126 CO -0.02 1.14 -0.30 0.00 -1.05 0.00 0.00 178.16 177.93 3k4u h ALA 127 N 0.79 -0.84 -0.92 3.88 0.00 -0.73 -2.38 119.26 119.06 3k4u h ALA 127 Ca 0.07 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 54.99 3k4u h ALA 127 Cb 0.92 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 3k4u h ALA 127 CO 0.08 -0.93 0.60 0.00 0.00 0.00 0.00 179.25 179.01 3k4u h ALA 128 N -0.60 2.18 -0.17 0.00 0.00 -0.48 0.56 119.26 120.76 3k4u h ALA 128 Ca -0.09 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3k4u h ALA 128 Cb 0.67 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3k4u h ALA 128 CO 0.14 -0.48 -0.45 0.87 0.00 0.00 0.00 179.25 179.33 3k4u h LYS 129 N 0.43 0.41 0.48 0.00 1.57 -1.31 0.42 116.57 118.56 3k4u h LYS 129 Ca 0.48 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 3k4u h LYS 129 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3k4u h LYS 129 CO -0.19 0.78 -0.23 0.00 -0.57 0.00 0.00 179.45 179.24 3k4u h ARG 130 N 0.33 -0.62 -0.52 3.15 3.08 -0.30 -3.38 114.38 116.11 3k4u h ARG 130 Ca 0.02 0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 3k4u h ARG 130 Cb 0.93 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 3k4u h ARG 130 CO 0.08 -0.41 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.38 3k4u h LEU 131 N -1.17 1.00 -9.04 3.04 4.07 0.00 -3.43 115.31 109.79 3k4u h LEU 131 Ca -0.07 -0.34 -0.62 0.00 0.08 0.00 0.00 57.88 56.94 3k4u h LEU 131 Cb 0.50 -0.27 -0.17 0.00 1.08 0.00 0.00 40.66 41.80 3k4u h LEU 131 CO 0.11 1.12 -0.56 -0.36 -1.08 0.00 0.00 178.44 177.67 3k4u s PHE 132 N -4.82 3.24 -0.05 1.13 0.08 0.15 -4.94 117.98 112.76 3k4u s PHE 132 Ca -0.11 0.04 0.02 0.00 0.12 0.00 0.00 56.93 56.99 3k4u s PHE 132 Cb 0.13 -2.12 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 3k4u s PHE 132 CO 0.86 0.08 -0.02 1.63 -0.10 0.00 0.00 175.22 177.67 3k4u n LYS 133 N 3.80 1.44 -0.10 0.44 4.76 -1.26 -4.58 118.16 122.66 3k4u n LYS 133 Ca -0.16 0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.19 3k4u n LYS 133 Cb 0.52 -1.12 -0.15 0.00 -1.84 0.00 0.00 35.03 32.44 3k4u n LYS 133 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3k4u n ASN 134 N -2.47 0.32 -4.80 4.39 4.13 -1.26 -5.04 115.26 110.53 3k4u n ASN 134 Ca -0.09 -0.01 -0.34 0.00 1.68 0.00 0.00 54.58 55.82 3k4u n ASN 134 Cb 0.63 0.87 -0.04 0.00 -1.54 0.00 0.00 39.78 39.71 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 -2.47 2.90 0.06 5.41 0.00 -0.70 -3.88 121.76 123.08 3k4u s ALA 135 Ca -0.12 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.06 3k4u s ALA 135 Cb 0.06 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 3k4u s ALA 135 CO 0.78 -0.28 1.39 0.15 0.00 0.00 0.00 175.76 177.81 3k4u s LYS 136 N -3.36 4.31 -0.26 0.00 1.02 -0.63 -4.88 119.74 115.94 3k4u s LYS 136 Ca 0.65 2.02 -0.04 0.00 0.02 0.00 0.00 55.97 58.63 3k4u s LYS 136 Cb -0.15 -3.42 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 3k4u s LYS 136 CO 0.21 -0.50 -0.02 -1.17 -0.92 0.00 0.00 175.35 172.95 3k4u s LEU 137 N 1.75 3.33 0.11 3.17 2.96 -1.26 0.18 118.68 128.93 3k4u s LEU 137 Ca 0.64 -0.74 0.08 0.00 -0.22 0.00 0.00 54.13 53.90 3k4u s LEU 137 Cb -0.34 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3k4u s LEU 137 CO 0.29 -0.13 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.50 3k4u s LYS 138 N 1.40 1.90 0.07 1.98 1.02 -0.68 -5.00 119.74 120.43 3k4u s LYS 138 Ca 0.02 -1.13 0.06 0.00 0.02 0.00 0.00 55.97 54.94 3k4u s LYS 138 Cb -0.16 -2.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3k4u s LYS 138 CO -0.02 0.49 -0.15 0.95 -0.92 0.00 0.00 175.35 175.69 3k4u s THR 139 N -1.17 1.21 0.02 2.17 -4.23 -1.26 -2.24 115.64 110.15 3k4u s THR 139 Ca 0.19 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 3k4u s THR 139 Cb -0.11 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 3k4u s THR 139 CO 0.11 -0.12 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.73 3k4u s TYR 140 N -1.12 0.28 0.57 3.99 2.02 -0.62 -4.86 117.35 117.61 3k4u s TYR 140 Ca 0.01 -0.50 0.27 0.00 -0.37 0.00 0.00 57.07 56.47 3k4u s TYR 140 Cb -0.09 -0.20 1.54 0.00 -0.40 0.00 0.00 41.96 42.81 3k4u s TYR 140 CO 0.02 -0.17 2.05 -0.44 -1.57 0.00 0.00 175.55 175.44 3k4u h ASP 141 N 4.70 0.00 -4.63 2.29 3.32 -1.94 -0.38 116.42 119.79 3k4u h ASP 141 Ca -0.32 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.41 3k4u h ASP 141 Cb 1.21 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 3k4u h ASP 141 CO 0.41 0.00 -0.75 0.42 -1.72 0.00 0.00 179.24 177.61 3k4u s THR 142 N -4.76 0.78 0.21 0.35 -4.23 -1.26 -4.74 115.64 102.00 3k4u s THR 142 Ca -0.05 -1.23 -0.09 0.00 -1.18 0.00 0.00 61.69 59.14 3k4u s THR 142 Cb 0.16 -0.87 0.16 0.00 1.34 0.00 0.00 72.50 73.30 3k4u s THR 142 CO 0.60 -0.36 1.74 -0.33 -0.54 0.00 0.00 174.62 175.73 3k4u h GLU 143 N 4.29 0.40 -0.00 3.99 3.07 -1.85 -1.25 114.58 123.23 3k4u h GLU 143 Ca -0.38 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.33 3k4u h GLU 143 Cb 1.20 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 3k4u h GLU 143 CO 0.42 0.27 -0.63 0.00 -1.40 0.00 0.00 179.01 177.67 3k4u h ALA 144 N 1.44 0.95 0.00 3.43 0.00 -1.96 -1.06 119.26 122.07 3k4u h ALA 144 Ca 0.33 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3k4u h ALA 144 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3k4u h ALA 144 CO -0.33 0.79 -0.32 0.93 0.00 0.00 0.00 179.25 180.32 3k4u h GLU 145 N 0.01 0.00 0.05 0.00 5.08 -1.79 -2.96 114.58 114.97 3k4u h GLU 145 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3k4u h GLU 145 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3k4u h GLU 145 CO 0.08 0.32 -0.02 0.00 -1.00 0.00 0.00 179.01 178.39 3k4u h ALA 146 N 1.68 -0.07 -0.61 3.43 0.00 -0.08 -3.29 119.26 120.33 3k4u h ALA 146 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3k4u h ALA 146 Cb 0.85 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3k4u h ALA 146 CO 0.04 -0.12 0.26 -0.39 0.00 0.00 0.00 179.25 179.03 3k4u h VAL 147 N -0.89 1.21 -1.04 0.00 -1.51 -1.37 -2.38 116.25 110.27 3k4u h VAL 147 Ca -0.01 -0.64 0.34 0.00 -1.23 0.00 0.00 66.70 65.17 3k4u h VAL 147 Cb 0.65 0.47 -0.15 0.00 -2.13 0.00 0.00 31.29 30.14 3k4u h VAL 147 CO 0.01 0.26 0.61 1.56 -1.23 0.00 0.00 177.57 178.78 3k4u h GLN 148 N 0.86 0.26 -0.85 5.19 1.08 -1.58 0.25 115.11 120.32 3k4u h GLN 148 Ca 0.21 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.43 3k4u h GLN 148 Cb 0.15 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 3k4u h GLN 148 CO -0.02 0.17 0.56 0.93 -0.95 0.00 0.00 178.83 179.51 3k4u h GLU 149 N 0.26 1.00 0.14 1.46 4.39 -1.51 1.35 114.58 121.67 3k4u h GLU 149 Ca 0.75 -0.06 -0.28 0.00 0.34 0.00 0.00 59.36 60.11 3k4u h GLU 149 Cb 1.84 -0.22 0.03 0.00 -0.10 0.00 0.00 28.75 30.30 3k4u h GLU 149 CO -0.58 0.66 -1.17 -0.24 -1.16 0.00 0.00 179.01 176.52 3k4u h VAL 150 N 1.03 1.33 -0.65 3.13 3.04 -0.70 0.18 116.25 123.60 3k4u h VAL 150 Ca 0.34 -2.47 0.13 0.00 -1.01 0.00 0.00 66.70 63.69 3k4u h VAL 150 Cb 0.07 2.82 -0.04 0.00 -2.01 0.00 0.00 31.29 32.13 3k4u h VAL 150 CO -0.11 0.74 0.44 -0.07 -1.01 0.00 0.00 177.57 177.56 3k4u h LEU 151 N 0.13 0.29 0.00 3.16 3.38 -0.70 -0.77 115.31 120.81 3k4u h LEU 151 Ca -0.18 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3k4u h LEU 151 Cb 1.87 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.57 3k4u h LEU 151 CO 0.22 0.16 -0.13 0.59 0.09 0.00 0.00 178.44 179.38 3k4u n ASN 152 N -4.45 0.76 -1.45 -0.43 3.02 0.46 -4.94 115.26 108.23 3k4u n ASN 152 Ca 0.12 0.48 -0.09 0.00 -0.03 0.00 0.00 54.58 55.05 3k4u n ASN 152 Cb 0.49 -0.59 0.02 0.00 -0.61 0.00 0.00 39.78 39.09 3k4u n ASN 152 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4u n GLY 153 N 1.32 0.19 0.30 7.41 0.00 -0.29 -4.92 105.19 109.20 3k4u n GLY 153 Ca 0.05 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.74 3k4u n GLY 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k4u n LYS 154 N -2.15 1.64 -3.79 1.61 5.02 0.51 -5.00 118.16 116.00 3k4u n LYS 154 Ca -0.04 -0.78 -0.10 0.00 -2.02 0.00 0.00 58.31 55.37 3k4u n LYS 154 Cb 0.55 -1.14 -0.05 0.00 -0.02 0.00 0.00 35.03 34.37 3k4u n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k4u s ALA 155 N -1.31 -0.65 -0.91 7.82 0.00 -0.54 -4.94 121.76 121.22 3k4u s ALA 155 Ca 0.10 -0.39 0.17 0.00 0.00 0.00 0.00 51.96 51.84 3k4u s ALA 155 Cb 0.09 0.82 -0.17 0.00 0.00 0.00 0.00 23.12 23.86 3k4u s ALA 155 CO 0.24 -0.73 0.76 -0.25 0.00 0.00 0.00 175.76 175.77 3k4u n ASP 156 N -0.28 0.93 -3.74 0.00 8.00 -0.76 -4.03 116.55 116.67 3k4u n ASP 156 Ca -0.10 -0.96 -0.13 0.00 0.71 0.00 0.00 54.79 54.30 3k4u n ASP 156 Cb 0.63 0.94 -0.10 0.00 -0.02 0.00 0.00 41.12 42.56 3k4u n ASP 156 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3k4u s PHE 158 N -2.56 -0.44 -0.05 1.24 5.36 0.31 -1.61 117.98 120.22 3k4u s PHE 158 Ca 0.08 1.08 0.05 0.00 -0.96 0.00 0.00 56.93 57.17 3k4u s PHE 158 Cb 0.13 0.15 -0.00 0.00 -0.34 0.00 0.00 43.02 42.96 3k4u s PHE 158 CO 0.68 -0.22 -0.19 -1.50 -1.46 0.00 0.00 175.22 172.53 3k4u s ILE 159 N 0.25 1.63 -0.12 3.12 2.07 -1.07 -0.11 121.20 126.96 3k4u s ILE 159 Ca -0.00 -0.82 -0.33 0.00 -1.41 0.00 0.00 60.65 58.09 3k4u s ILE 159 Cb -0.03 -1.40 0.14 0.00 0.13 0.00 0.00 42.46 41.31 3k4u s ILE 159 CO 0.00 0.46 1.36 0.12 -1.91 0.00 0.00 174.94 174.98 3k4u s PHE 160 N 0.05 -0.03 0.04 3.50 5.36 -1.05 -4.65 117.98 121.21 3k4u s PHE 160 Ca -0.06 -0.01 -0.38 0.00 -0.96 0.00 0.00 56.93 55.52 3k4u s PHE 160 Cb -0.13 0.52 -0.19 0.00 -0.34 0.00 0.00 43.02 42.88 3k4u s PHE 160 CO 0.03 -0.11 1.10 -0.25 -1.46 0.00 0.00 175.22 174.54 3k4u n ASP 161 N -0.37 0.39 -0.20 6.13 10.43 -1.26 -0.80 116.55 130.87 3k4u n ASP 161 Ca -0.06 1.15 0.06 0.00 2.57 0.00 0.00 54.79 58.51 3k4u n ASP 161 Cb 0.62 -1.01 0.34 0.00 1.84 0.00 0.00 41.12 42.91 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 3.26 0.70 -1.12 0.64 6.46 -0.43 -2.14 115.31 122.68 3k4u h LEU 162 Ca -0.48 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.24 3k4u h LEU 162 Cb 1.40 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 3k4u h LEU 162 CO 0.68 0.45 -0.18 -0.65 -0.62 0.00 0.00 178.44 178.12 3k4u h PRO 163 N 0.80 0.00 0.16 5.25 0.11 -1.89 -2.22 132.00 134.20 3k4u h PRO 163 Ca 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 3k4u h PRO 163 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 3k4u h PRO 163 CO -0.11 0.18 -0.08 0.35 -0.21 0.00 0.00 178.00 178.14 3k4u h PHE 164 N 0.00 -0.20 -0.55 0.65 3.57 -1.40 -2.96 116.94 116.05 3k4u h PHE 164 Ca -0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 3k4u h PHE 164 Cb 0.72 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 3k4u h PHE 164 CO 0.00 -0.05 0.21 -0.91 -2.23 0.00 0.00 178.31 175.32 3k4u h ASN 165 N -0.29 0.21 -0.29 0.41 2.35 -1.36 0.13 115.58 116.75 3k4u h ASN 165 Ca -0.02 0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 3k4u h ASN 165 Cb 0.23 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3k4u h ASN 165 CO 0.04 0.14 -0.09 1.62 -1.65 0.00 0.00 177.43 177.49 3k4u h VAL 166 N 0.39 1.24 -0.32 2.81 3.04 -1.45 -2.63 116.25 119.33 3k4u h VAL 166 Ca 0.27 -1.07 -0.13 0.00 -1.01 0.00 0.00 66.70 64.76 3k4u h VAL 166 Cb 0.30 1.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 3k4u h VAL 166 CO -0.27 0.36 -0.33 0.00 -1.01 0.00 0.00 177.57 176.33 3k4u h ALA 167 N 1.28 0.82 0.00 3.17 0.00 -1.23 -2.46 119.26 120.84 3k4u h ALA 167 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3k4u h ALA 167 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3k4u h ALA 167 CO 0.03 0.64 0.00 0.34 0.00 0.00 0.00 179.25 180.26 3k4u n PHE 168 N -4.07 0.00 0.00 0.00 7.35 0.40 -2.56 117.46 118.59 3k4u n PHE 168 Ca -0.01 -0.25 0.00 0.00 -0.76 0.00 0.00 57.45 56.43 3k4u n PHE 168 Cb 0.49 -0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.10 3k4u n PHE 168 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3k4u n ALA 170 N 1.10 0.00 -0.03 3.13 0.00 -0.93 -1.88 120.51 121.90 3k4u n ALA 170 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3k4u n ALA 170 Cb 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.54 3k4u n ALA 170 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3k4u h GLN 171 N 0.00 0.11 0.00 0.00 3.07 -1.79 -3.44 115.11 113.06 3k4u h GLN 171 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 58.65 58.64 3k4u h GLN 171 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.58 3k4u h GLN 171 CO 0.00 0.80 -0.43 1.63 0.09 0.00 0.00 178.83 180.91 3k4u n LYS 172 N -4.63 0.00 0.26 0.06 5.02 -0.79 -4.87 118.16 113.21 3k4u n LYS 172 Ca -0.09 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.29 3k4u n LYS 172 Cb 0.42 -0.67 0.67 0.00 -0.02 0.00 0.00 35.03 35.42 3k4u n LYS 172 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3k4u h GLY 173 N 0.00 0.00 -0.25 0.72 0.00 -1.76 -3.37 103.07 98.42 3k4u h GLY 173 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.55 3k4u h GLY 173 CO 0.00 0.00 0.35 0.06 0.00 0.00 0.00 176.54 176.95 3k4u h GLN 174 N 0.00 0.34 0.00 4.80 -0.00 -1.83 0.19 115.11 118.61 3k4u h GLN 174 Ca -0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.54 3k4u h GLN 174 Cb 0.13 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 27.52 3k4u h GLN 174 CO 0.01 0.22 -0.64 0.78 -0.00 0.00 0.00 178.83 179.20 3k4u h GLY 175 N 0.35 0.00 0.00 0.06 0.00 -1.97 -3.42 103.07 98.08 3k4u h GLY 175 Ca 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.75 3k4u h GLY 175 CO -0.56 0.00 -1.51 -1.72 0.00 0.00 0.00 176.54 172.75 3k4u n TYR 176 N -3.09 0.00 -4.21 5.60 4.01 0.38 -5.03 117.16 114.82 3k4u n TYR 176 Ca -0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 3k4u n TYR 176 Cb 0.71 -0.36 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 3k4u n TYR 176 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k4u s LEU 177 N -4.84 2.88 -0.03 7.72 1.02 0.35 -3.17 118.68 122.61 3k4u s LEU 177 Ca -0.06 -1.23 0.01 0.00 0.02 0.00 0.00 54.13 52.87 3k4u s LEU 177 Cb 0.02 -1.24 0.02 0.00 0.02 0.00 0.00 46.19 45.02 3k4u s LEU 177 CO 0.27 -0.71 -0.02 -0.69 0.02 0.00 0.00 176.35 175.23 3k4u s VAL 178 N -2.69 0.29 -0.63 -1.59 1.01 0.25 -4.66 120.40 112.38 3k4u s VAL 178 Ca 0.33 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 3k4u s VAL 178 Cb 0.03 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 36.09 3k4u s VAL 178 CO 0.19 0.16 1.16 -2.28 0.00 0.00 0.00 175.10 174.33 3k4u s HIS 179 N 0.91 2.55 -0.78 5.22 2.46 -1.26 -1.51 115.29 122.87 3k4u s HIS 179 Ca -0.10 0.16 -0.25 0.00 0.47 0.00 0.00 55.06 55.34 3k4u s HIS 179 Cb -0.13 -4.47 0.05 0.00 -0.13 0.00 0.00 32.58 27.90 3k4u s HIS 179 CO -0.01 -1.69 1.25 -0.51 -2.47 0.00 0.00 174.74 171.30 3k4u s LEU 180 N 4.97 3.53 -0.01 8.88 1.43 0.23 -4.89 118.68 132.81 3k4u s LEU 180 Ca 0.37 -0.80 0.17 0.00 -1.03 0.00 0.00 54.13 52.84 3k4u s LEU 180 Cb -0.09 -2.53 0.51 0.00 0.03 0.00 0.00 46.19 44.11 3k4u s LEU 180 CO 0.21 -1.67 1.42 -0.90 0.23 0.00 0.00 176.35 175.63 3k4u n ASP 181 N 8.86 3.13 -4.72 2.29 5.68 -1.26 -2.06 116.55 128.46 3k4u n ASP 181 Ca 0.08 -2.05 -0.42 0.00 -0.50 0.00 0.00 54.79 51.90 3k4u n ASP 181 Cb 0.49 -0.40 -0.03 0.00 -1.14 0.00 0.00 41.12 40.04 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 -1.33 2.36 0.09 2.12 2.01 -1.26 -4.95 115.64 114.68 3k4u s THR 182 Ca 0.38 0.26 -0.31 0.00 0.31 0.00 0.00 61.69 62.33 3k4u s THR 182 Cb 0.20 -3.17 -0.06 0.00 0.01 0.00 0.00 72.50 69.48 3k4u s THR 182 CO 0.25 0.02 1.24 -0.55 -0.69 0.00 0.00 174.62 174.89 3k4u s SER 183 N 1.09 7.03 0.00 3.53 0.15 -1.26 -4.51 113.70 119.72 3k4u s SER 183 Ca 0.71 2.12 0.09 0.00 0.70 0.00 0.00 55.95 59.56 3k4u s SER 183 Cb -0.46 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.23 3k4u s SER 183 CO 0.33 -0.49 0.51 0.18 1.20 0.00 0.00 173.24 174.96 3k4u n LEU 184 N 3.72 0.87 -4.42 3.45 4.77 -0.29 -4.92 117.00 120.17 3k4u n LEU 184 Ca 0.09 -0.67 -0.22 0.00 -0.03 0.00 0.00 56.01 55.18 3k4u n LEU 184 Cb 0.45 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 3k4u n LEU 184 CO 0.56 0.18 -0.21 0.42 -1.33 0.00 0.00 177.39 177.02 3k4u s THR 185 N -1.45 0.57 -0.28 -5.08 -4.23 -1.26 -4.89 115.64 99.02 3k4u s THR 185 Ca 0.06 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 3k4u s THR 185 Cb 0.07 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.48 3k4u s THR 185 CO 0.27 0.00 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.82 3k4u s TYR 186 N -3.41 3.26 -0.49 3.99 5.04 -1.26 -4.51 117.35 119.97 3k4u s TYR 186 Ca 0.31 -2.43 0.03 0.00 -2.44 0.00 0.00 57.07 52.55 3k4u s TYR 186 Cb 0.05 -2.14 0.15 0.00 0.35 0.00 0.00 41.96 40.36 3k4u s TYR 186 CO 0.16 -0.89 0.30 -1.21 -1.34 0.00 0.00 175.55 172.57 3k4u s GLU 187 N 1.09 1.50 0.23 4.97 2.02 -0.25 -5.02 118.70 123.24 3k4u s GLU 187 Ca -0.03 -2.30 -0.30 0.00 0.02 0.00 0.00 54.97 52.36 3k4u s GLU 187 Cb -0.20 -2.48 -0.09 0.00 0.10 0.00 0.00 34.13 31.46 3k4u s GLU 187 CO -0.06 -1.21 1.31 -1.25 0.02 0.00 0.00 175.26 174.07 3k4u s PRO 188 N -0.06 4.38 -0.15 0.39 0.04 -1.26 -1.66 135.00 136.68 3k4u s PRO 188 Ca 0.21 2.10 -0.04 0.00 0.04 0.00 0.00 61.00 63.31 3k4u s PRO 188 Cb -0.17 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 3k4u s PRO 188 CO -0.05 -0.23 -0.04 -0.51 0.04 0.00 0.00 177.00 176.20 3k4u s LEU 189 N -0.53 3.25 0.09 -3.56 1.02 -0.51 0.19 118.68 118.62 3k4u s LEU 189 Ca 0.55 -0.13 -0.01 0.00 0.02 0.00 0.00 54.13 54.57 3k4u s LEU 189 Cb -0.37 -1.78 -0.04 0.00 0.02 0.00 0.00 46.19 44.01 3k4u s LEU 189 CO 0.42 0.17 -0.00 -0.83 0.02 0.00 0.00 176.35 176.13 3k4u s GLY 190 N 0.34 0.72 0.06 -3.19 0.00 -1.26 0.38 107.32 104.36 3k4u s GLY 190 Ca -0.04 -1.33 -0.23 0.00 0.00 0.00 0.00 44.72 43.11 3k4u s GLY 190 CO 0.03 -1.36 0.71 -0.98 0.00 0.00 0.00 173.10 171.50 3k4u s TRP 191 N -3.92 3.76 0.16 1.90 0.51 -1.26 -4.77 118.94 115.31 3k4u s TRP 191 Ca 0.14 1.41 0.04 0.00 -2.12 0.00 0.00 56.10 55.57 3k4u s TRP 191 Cb 0.07 -2.73 -0.04 0.00 -0.81 0.00 0.00 33.47 29.97 3k4u s TRP 191 CO -0.05 0.37 0.22 0.00 -0.51 0.00 0.00 176.95 176.98 3k4u s ALA 192 N -0.39 3.79 0.22 0.98 0.00 -1.07 -1.68 121.76 123.62 3k4u s ALA 192 Ca 0.35 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 3k4u s ALA 192 Cb -0.20 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.32 3k4u s ALA 192 CO 0.22 0.51 0.43 0.96 0.00 0.00 0.00 175.76 177.88 3k4u s ILE 193 N -1.76 0.02 0.42 0.00 -4.36 -0.59 -0.50 121.20 114.43 3k4u s ILE 193 Ca 0.33 -1.34 -0.08 0.00 -0.26 0.00 0.00 60.65 59.31 3k4u s ILE 193 Cb -0.11 -2.05 -0.05 0.00 1.25 0.00 0.00 42.46 41.50 3k4u s ILE 193 CO 0.26 -0.08 0.75 -1.59 0.24 0.00 0.00 174.94 174.52 3k4u s LYS 194 N -3.99 3.67 0.83 0.37 -2.85 -1.26 -1.18 119.74 115.32 3k4u s LYS 194 Ca 0.20 0.30 -0.11 0.00 -1.00 0.00 0.00 55.97 55.36 3k4u s LYS 194 Cb 0.00 -2.42 0.09 0.00 -2.06 0.00 0.00 37.83 33.45 3k4u s LYS 194 CO 0.06 -0.07 1.09 0.15 0.10 0.00 0.00 175.35 176.68 3k4u s LYS 195 N -4.16 1.79 0.00 1.78 1.02 -1.26 -3.83 119.74 115.09 3k4u s LYS 195 Ca 0.49 1.02 0.00 0.00 0.02 0.00 0.00 55.97 57.49 3k4u s LYS 195 Cb -0.10 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 3k4u s LYS 195 CO 0.36 -1.92 0.00 0.41 -0.92 0.00 0.00 175.35 173.28 3k4u n GLY 196 N -1.16 0.73 2.95 -3.33 0.00 -1.26 -5.01 105.19 98.12 3k4u n GLY 196 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.42 4.82 0.22 1.61 3.68 -1.25 -4.96 116.67 118.36 3k4u s ASP 197 Ca 0.00 -3.51 0.03 0.00 2.13 0.00 0.00 52.55 51.20 3k4u s ASP 197 Cb 0.00 -1.68 0.19 0.00 -1.45 0.00 0.00 42.92 39.98 3k4u s ASP 197 CO 0.00 -0.16 1.52 1.55 0.13 0.00 0.00 175.17 178.21 3k4u h PRO 198 N 5.92 0.27 -0.59 4.34 0.13 -1.94 -3.15 132.00 136.96 3k4u h PRO 198 Ca 0.06 -0.20 0.07 0.00 -0.87 0.00 0.00 66.00 65.07 3k4u h PRO 198 Cb 0.82 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.92 3k4u h PRO 198 CO 0.72 0.82 0.27 -0.44 -0.23 0.00 0.00 178.00 179.15 3k4u h ASP 199 N 0.19 0.35 -0.06 1.44 3.32 -1.98 0.32 116.42 120.00 3k4u h ASP 199 Ca -0.01 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 3k4u h ASP 199 Cb 1.18 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.73 3k4u h ASP 199 CO 0.10 0.22 -0.57 0.15 -1.72 0.00 0.00 179.24 177.42 3k4u h PHE 200 N 0.50 0.70 -0.66 4.55 3.57 -1.98 -0.32 116.94 123.30 3k4u h PHE 200 Ca 0.28 -0.33 0.12 0.00 3.53 0.00 0.00 57.97 61.57 3k4u h PHE 200 Cb 0.27 -0.10 -0.12 0.00 2.79 0.00 0.00 35.95 38.79 3k4u h PHE 200 CO -0.12 1.13 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.73 3k4u h LEU 201 N 0.06 -1.03 -0.46 0.59 3.38 -1.51 0.23 115.31 116.58 3k4u h LEU 201 Ca -0.05 0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.24 3k4u h LEU 201 Cb 1.24 0.55 -0.09 0.00 0.09 0.00 0.00 40.66 42.45 3k4u h LEU 201 CO 0.12 -0.28 -0.14 -1.13 0.09 0.00 0.00 178.44 177.09 3k4u h ASN 202 N -0.10 -0.51 -0.22 -0.43 -0.00 0.03 -0.31 115.58 114.03 3k4u h ASN 202 Ca 0.28 0.15 -0.01 0.00 -0.00 0.00 0.00 56.30 56.72 3k4u h ASN 202 Cb 0.55 0.32 -0.01 0.00 -0.00 0.00 0.00 38.32 39.18 3k4u h ASN 202 CO -0.72 -0.18 0.11 -0.25 -0.00 0.00 0.00 177.43 176.39 3k4u h TRP 203 N -0.04 0.31 -0.17 0.67 7.01 -0.03 -2.32 115.95 121.39 3k4u h TRP 203 Ca 0.22 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 3k4u h TRP 203 Cb 0.37 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 3k4u h TRP 203 CO -0.42 0.30 0.09 -0.07 -2.79 0.00 0.00 178.44 175.55 3k4u h LEU 204 N 0.24 0.22 -0.92 0.65 -0.00 -0.20 -0.85 115.31 114.45 3k4u h LEU 204 Ca 0.08 -0.11 0.09 0.00 -0.00 0.00 0.00 57.88 57.94 3k4u h LEU 204 Cb 0.10 -0.06 -0.07 0.00 -0.00 0.00 0.00 40.66 40.63 3k4u h LEU 204 CO -0.01 0.26 0.57 0.78 -0.00 0.00 0.00 178.44 180.04 3k4u h ASN 205 N 0.16 0.86 0.82 -0.43 2.35 -0.92 0.32 115.58 118.73 3k4u h ASN 205 Ca 0.06 0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3k4u h ASN 205 Cb 0.10 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3k4u h ASN 205 CO -0.01 0.51 -0.69 0.45 -1.65 0.00 0.00 177.43 176.04 3k4u h HIS 206 N 0.97 0.00 -0.48 1.19 3.86 -1.22 -1.60 115.15 117.88 3k4u h HIS 206 Ca 0.43 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.53 3k4u h HIS 206 Cb 0.30 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 3k4u h HIS 206 CO -0.03 0.69 -0.13 0.35 0.86 0.00 0.00 177.93 179.67 3k4u h PHE 207 N 0.00 1.05 -0.45 2.45 3.57 0.18 -1.49 116.94 122.25 3k4u h PHE 207 Ca -0.01 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 3k4u h PHE 207 Cb 1.28 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 3k4u h PHE 207 CO 0.00 1.02 0.25 1.25 -2.23 0.00 0.00 178.31 178.60 3k4u h LEU 208 N 0.78 0.56 -0.91 0.59 5.85 -0.30 -2.23 115.31 119.65 3k4u h LEU 208 Ca 0.12 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3k4u h LEU 208 Cb 0.69 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3k4u h LEU 208 CO 0.05 0.48 0.56 0.00 -0.34 0.00 0.00 178.44 179.19 3k4u h ALA 209 N 1.10 1.17 -0.93 1.25 0.00 -1.18 -2.51 119.26 118.15 3k4u h ALA 209 Ca 0.16 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3k4u h ALA 209 Cb 0.04 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 3k4u h ALA 209 CO -0.03 0.62 0.61 1.96 0.00 0.00 0.00 179.25 182.41 3k4u h GLN 210 N 1.26 1.16 0.00 0.00 1.08 -0.92 -2.74 115.11 114.96 3k4u h GLN 210 Ca 0.33 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.35 3k4u h GLN 210 Cb -0.06 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.09 3k4u h GLN 210 CO -0.06 0.77 -0.79 -0.84 -0.95 0.00 0.00 178.83 176.96 3k4u h ILE 211 N 1.20 0.64 -0.58 2.54 3.07 -1.19 -0.20 117.51 122.99 3k4u h ILE 211 Ca 0.36 -1.99 -0.03 0.00 1.55 0.00 0.00 64.86 64.74 3k4u h ILE 211 Cb -0.05 2.21 -0.03 0.00 -0.27 0.00 0.00 36.82 38.69 3k4u h ILE 211 CO -0.10 0.37 0.22 0.11 -1.05 0.00 0.00 178.15 177.69 3k4u h LYS 212 N 0.00 0.84 0.00 0.16 1.79 -1.39 0.66 116.57 118.63 3k4u h LYS 212 Ca -0.05 -0.14 -0.16 0.00 -2.18 0.00 0.00 60.65 58.12 3k4u h LYS 212 Cb 1.40 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.87 3k4u h LYS 212 CO 0.05 0.70 -1.71 0.72 -1.08 0.00 0.00 179.45 178.14 3k4u n HIS 213 N -4.32 0.57 -0.33 -1.35 8.25 -1.04 -4.22 115.22 112.79 3k4u n HIS 213 Ca 0.05 0.19 0.07 0.00 -0.26 0.00 0.00 57.72 57.76 3k4u n HIS 213 Cb 0.17 -0.94 0.26 0.00 1.12 0.00 0.00 29.99 30.61 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 0.88 0.00 0.41 5.19 -1.12 -3.47 116.42 118.31 3k4u h ASP 214 Ca -0.20 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 3k4u h ASP 214 Cb 1.55 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.91 3k4u h ASP 214 CO 0.03 0.50 0.00 0.61 -3.12 0.00 0.00 179.24 177.26 3k4u n GLY 215 N -1.38 3.12 0.26 2.75 0.00 -1.24 -4.95 105.19 103.75 3k4u n GLY 215 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 0.07 -1.03 -0.59 1.61 0.02 -1.90 -0.84 113.55 110.89 3k4u h SER 216 Ca 0.00 0.13 0.11 0.00 -0.84 0.00 0.00 61.79 61.19 3k4u h SER 216 Cb 0.00 0.42 -0.11 0.00 0.14 0.00 0.00 62.40 62.84 3k4u h SER 216 CO 0.00 -0.24 -0.31 0.22 -1.14 0.00 0.00 176.83 175.36 3k4u h TYR 217 N -0.25 -0.85 -0.80 3.45 3.20 -1.18 -0.43 116.97 120.11 3k4u h TYR 217 Ca 0.03 0.07 0.03 0.00 3.14 0.00 0.00 58.73 62.00 3k4u h TYR 217 Cb 0.35 0.46 -0.05 0.00 1.54 0.00 0.00 36.73 39.03 3k4u h TYR 217 CO -0.63 -0.37 0.52 -0.44 -1.64 0.00 0.00 178.16 175.59 3k4u h ASP 218 N -0.14 0.87 0.29 -2.11 5.19 -1.66 0.23 116.42 119.07 3k4u h ASP 218 Ca 0.24 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 3k4u h ASP 218 Cb 0.54 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 3k4u h ASP 218 CO -0.68 0.60 -0.26 -0.08 -3.12 0.00 0.00 179.24 175.71 3k4u h GLU 219 N 1.02 -0.52 -1.00 3.56 4.81 -0.01 0.21 114.58 122.64 3k4u h GLU 219 Ca 0.31 0.04 0.21 0.00 -0.13 0.00 0.00 59.36 59.79 3k4u h GLU 219 Cb -0.02 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 29.37 3k4u h GLU 219 CO -0.10 -0.35 0.61 -0.07 -0.73 0.00 0.00 179.01 178.37 3k4u h LEU 220 N -0.54 0.74 0.30 1.64 3.38 -0.57 -0.28 115.31 119.98 3k4u h LEU 220 Ca -0.04 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3k4u h LEU 220 Cb 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3k4u h LEU 220 CO -0.02 0.22 -0.24 0.22 0.09 0.00 0.00 178.44 178.70 3k4u h TYR 221 N 0.69 -0.64 -0.02 1.13 3.20 0.09 -1.83 116.97 119.59 3k4u h TYR 221 Ca 0.60 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.50 3k4u h TYR 221 Cb 1.02 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 39.48 3k4u h TYR 221 CO -0.00 -0.36 -0.33 0.93 -1.64 0.00 0.00 178.16 176.75 3k4u h GLU 222 N -0.55 -0.46 -0.97 1.82 4.39 0.44 0.70 114.58 119.95 3k4u h GLU 222 Ca -0.02 0.03 0.24 0.00 0.34 0.00 0.00 59.36 59.96 3k4u h GLU 222 Cb 0.49 0.10 -0.13 0.00 -0.10 0.00 0.00 28.75 29.12 3k4u h GLU 222 CO -0.02 -0.30 0.54 -0.09 -1.16 0.00 0.00 179.01 177.97 3k4u h ARG 223 N -0.47 0.50 0.00 2.33 2.43 -0.76 -1.60 114.38 116.81 3k4u h ARG 223 Ca 0.06 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.90 3k4u h ARG 223 Cb 0.57 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 3k4u h ARG 223 CO -0.28 0.33 -2.14 0.91 -1.51 0.00 0.00 179.97 177.28 3k4u n TRP 224 N -4.94 0.00 0.59 2.20 7.02 -0.72 -4.40 117.44 117.20 3k4u n TRP 224 Ca 0.26 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.82 3k4u n TRP 224 Cb 0.73 -0.81 -0.10 0.00 -2.42 0.00 0.00 31.31 28.71 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 -2.65 0.00 0.06 -5.99 3.72 0.21 -4.78 117.46 108.02 3k4u n PHE 225 Ca -0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 3k4u n PHE 225 Cb 1.03 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 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 -1.54 1.16 -2.83 -4.37 0.31 -0.75 -5.02 118.33 105.30 3k4u n VAL 226 Ca 0.02 0.38 -0.31 0.00 -0.01 0.00 0.00 64.34 64.42 3k4u n VAL 226 Cb 0.29 -1.52 -0.04 0.00 -0.91 0.00 0.00 33.84 31.67 3k4u n VAL 226 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 3k4u s ASP 227 N -5.94 6.58 0.00 4.52 1.47 -0.68 -5.00 116.67 117.63 3k4u s ASP 227 Ca 0.00 1.23 0.24 0.00 1.18 0.00 0.00 52.55 55.20 3k4u s ASP 227 Cb 0.00 -2.36 0.65 0.00 -0.34 0.00 0.00 42.92 40.87 3k4u s ASP 227 CO 0.00 -0.40 1.52 0.35 0.68 0.00 0.00 175.17 177.32 3k4u n THR 228 N -1.19 0.14 -0.12 2.11 -2.24 -1.26 -4.51 114.28 107.20 3k4u n THR 228 Ca 0.03 -0.42 -0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3k4u n THR 228 Cb 0.54 0.80 0.26 0.00 -2.10 0.00 0.00 70.33 69.83 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 3.26 0.80 0.00 -0.78 3.64 -1.94 -2.23 116.57 119.32 3k4u h LYS 229 Ca 0.00 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3k4u h LYS 229 Cb 0.70 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3k4u h LYS 229 CO 0.00 0.62 -0.00 0.11 -2.27 0.00 0.00 179.45 177.91 3k4u h TRP 230 N 0.81 0.00 0.00 1.91 5.08 -1.84 -3.12 115.95 118.79 3k4u h TRP 230 Ca 0.20 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.17 3k4u h TRP 230 Cb 0.08 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.24 3k4u h TRP 230 CO 0.01 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.45 3k4u n LEU 231 N -3.14 0.54 -4.55 0.11 4.77 -0.84 -3.59 117.00 110.30 3k4u n LEU 231 Ca -0.02 0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 56.22 3k4u n LEU 231 Cb 0.12 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.53 3k4u n LEU 231 CO 0.22 -0.70 1.65 -1.61 -1.33 0.00 0.00 177.39 175.62 3k4u s GLU 232 N -3.37 3.82 0.00 3.23 0.41 -1.18 -5.12 118.70 116.49 3k4u s GLU 232 Ca 0.01 -1.73 0.00 0.00 -0.41 0.00 0.00 54.97 52.85 3k4u s GLU 232 Cb 0.07 -5.37 0.00 0.00 -1.78 0.00 0.00 34.13 27.06 3k4u s GLU 232 CO 0.28 -2.15 0.00 1.63 -0.49 0.00 0.00 175.26 174.53