#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u0k s ARG 3 N 0.00 1.27 0.04 -1.46 0.52 -1.26 -5.07 118.95 112.98 1u0k s ARG 3 Ca 0.00 -0.95 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 1u0k s ARG 3 Cb 0.00 -1.39 -0.03 0.00 0.52 0.00 0.00 34.95 34.05 1u0k s ARG 3 CO 0.00 0.35 -0.04 1.03 0.02 0.00 0.00 175.30 176.65 1u0k s ARG 4 N -1.30 0.50 0.31 3.54 0.52 -1.26 -1.25 118.95 120.01 1u0k s ARG 4 Ca 0.06 -0.91 0.06 0.00 -0.52 0.00 0.00 55.73 54.43 1u0k s ARG 4 Cb -0.09 0.03 -0.06 0.00 0.52 0.00 0.00 34.95 35.35 1u0k s ARG 4 CO 0.02 -0.05 -0.03 1.52 0.02 0.00 0.00 175.30 176.78 1u0k s TYR 5 N -2.45 2.06 -0.01 -0.53 -0.85 -0.65 -3.94 117.35 110.98 1u0k s TYR 5 Ca -0.05 -0.73 0.03 0.00 -0.52 0.00 0.00 57.07 55.80 1u0k s TYR 5 Cb -0.03 -1.24 -0.01 0.00 0.38 0.00 0.00 41.96 41.07 1u0k s TYR 5 CO -0.04 0.28 -0.08 -1.58 -1.52 0.00 0.00 175.55 172.60 1u0k s TRP 6 N -3.00 0.75 -0.26 -3.49 0.52 0.11 -0.56 118.94 113.01 1u0k s TRP 6 Ca 0.32 -0.14 -0.11 0.00 0.02 0.00 0.00 56.10 56.18 1u0k s TRP 6 Cb 0.05 -0.49 -0.05 0.00 -1.15 0.00 0.00 33.47 31.84 1u0k s TRP 6 CO 0.14 -0.02 0.20 -1.14 0.02 0.00 0.00 176.95 176.15 1u0k s GLN 7 N -0.18 4.00 0.19 4.98 2.00 -0.52 -0.99 119.66 129.14 1u0k s GLN 7 Ca 0.03 -0.27 0.08 0.00 -2.00 0.00 0.00 55.36 53.20 1u0k s GLN 7 Cb -0.03 -3.62 -0.05 0.00 0.80 0.00 0.00 33.01 30.11 1u0k s GLN 7 CO -0.00 -0.11 -0.15 -0.51 -0.50 0.00 0.00 175.29 174.02 1u0k s LEU 8 N 1.55 2.53 -0.10 3.68 1.02 -0.04 -0.66 118.68 126.65 1u0k s LEU 8 Ca 0.08 -0.98 0.02 0.00 0.02 0.00 0.00 54.13 53.27 1u0k s LEU 8 Cb -0.15 -0.68 -0.01 0.00 0.02 0.00 0.00 46.19 45.37 1u0k s LEU 8 CO 0.09 -0.15 -0.16 -1.81 0.02 0.00 0.00 176.35 174.34 1u0k s ASP 9 N -3.15 3.81 0.01 2.29 1.01 -0.18 -0.83 116.67 119.63 1u0k s ASP 9 Ca 0.20 -0.35 0.04 0.00 0.71 0.00 0.00 52.55 53.16 1u0k s ASP 9 Cb -0.02 -1.35 -0.03 0.00 1.01 0.00 0.00 42.92 42.53 1u0k s ASP 9 CO 0.06 0.21 -0.09 -0.69 0.21 0.00 0.00 175.17 174.87 1u0k s VAL 10 N 0.06 3.45 -1.10 -1.27 1.01 -0.08 -1.20 120.40 121.27 1u0k s VAL 10 Ca -0.06 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1u0k s VAL 10 Cb -0.15 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1u0k s VAL 10 CO 0.05 0.38 0.92 0.49 0.00 0.00 0.00 175.10 176.94 1u0k n PHE 11 N 1.55 -2.02 -3.63 5.22 3.01 0.47 -0.56 117.46 121.50 1u0k n PHE 11 Ca -0.15 0.86 -0.20 0.00 1.01 0.00 0.00 57.45 58.97 1u0k n PHE 11 Cb 0.52 -4.81 -0.16 0.00 -0.01 0.00 0.00 39.48 35.02 1u0k n PHE 11 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u0k s ALA 12 N -3.33 0.05 -0.60 4.37 0.00 -0.58 -4.17 121.76 117.50 1u0k s ALA 12 Ca 0.02 0.24 0.24 0.00 0.00 0.00 0.00 51.96 52.46 1u0k s ALA 12 Cb -0.01 -0.89 0.31 0.00 0.00 0.00 0.00 23.12 22.53 1u0k s ALA 12 CO 0.67 -0.77 1.30 0.93 0.00 0.00 0.00 175.76 177.88 1u0k h GLU 13 N 8.39 0.00 -4.95 0.00 5.08 -1.93 -3.28 114.58 117.89 1u0k h GLU 13 Ca -0.14 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.91 1u0k h GLU 13 Cb 1.13 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.21 1u0k h GLU 13 CO 0.20 0.00 -0.73 1.03 -1.00 0.00 0.00 179.01 178.51 1u0k s ARG 14 N -3.18 0.86 0.76 2.33 0.52 -1.26 -4.92 118.95 114.05 1u0k s ARG 14 Ca 0.06 -1.18 -0.14 0.00 -0.52 0.00 0.00 55.73 53.95 1u0k s ARG 14 Cb 0.13 -0.52 0.06 0.00 0.52 0.00 0.00 34.95 35.14 1u0k s ARG 14 CO 0.73 0.08 1.20 -1.25 0.02 0.00 0.00 175.30 176.07 1u0k s PRO 15 N -2.89 1.95 -1.53 3.54 0.04 -1.26 -3.35 135.00 131.50 1u0k s PRO 15 Ca 0.06 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1u0k s PRO 15 Cb -0.02 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1u0k s PRO 15 CO -0.00 -1.97 0.15 1.28 0.04 0.00 0.00 177.00 176.51 1u0k n LEU 16 N -2.99 -2.05 -4.40 -3.56 4.77 -1.26 -5.01 117.00 102.50 1u0k n LEU 16 Ca 0.13 -0.08 -0.22 0.00 -0.03 0.00 0.00 56.01 55.81 1u0k n LEU 16 Cb 0.51 -2.67 -0.08 0.00 -2.33 0.00 0.00 43.42 38.84 1u0k n LEU 16 CO 0.48 -0.08 -0.17 0.42 -1.33 0.00 0.00 177.39 176.71 1u0k s THR 17 N -2.98 0.34 0.00 -5.08 -4.23 -1.21 -5.11 115.64 97.37 1u0k s THR 17 Ca 0.08 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1u0k s THR 17 Cb -0.03 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1u0k s THR 17 CO 0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1u0k n GLY 18 N -0.73 0.43 3.47 3.99 0.00 -1.26 -4.64 105.19 106.44 1u0k n GLY 18 Ca -0.00 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1u0k n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u0k s ASN 19 N -4.00 5.60 0.45 1.61 3.84 0.28 -4.87 114.94 117.85 1u0k s ASN 19 Ca 0.00 -0.37 -0.23 0.00 0.21 0.00 0.00 52.86 52.47 1u0k s ASN 19 Cb 0.00 -2.02 -0.08 0.00 -0.55 0.00 0.00 41.25 38.60 1u0k s ASN 19 CO 0.00 -0.15 1.16 -0.83 -2.79 0.00 0.00 177.10 174.50 1u0k s GLY 20 N 1.65 2.79 -0.12 1.21 0.00 -1.26 -0.90 107.32 110.69 1u0k s GLY 20 Ca 0.05 0.94 -0.10 0.00 0.00 0.00 0.00 44.72 45.61 1u0k s GLY 20 CO 0.07 1.40 0.32 -2.27 0.00 0.00 0.00 173.10 172.63 1u0k s LEU 21 N -2.91 0.62 -0.15 0.66 2.96 -0.01 -4.34 118.68 115.51 1u0k s LEU 21 Ca 0.62 0.66 -0.07 0.00 -0.22 0.00 0.00 54.13 55.12 1u0k s LEU 21 Cb -0.29 1.09 -0.04 0.00 0.50 0.00 0.00 46.19 47.44 1u0k s LEU 21 CO 0.35 -0.13 0.11 0.00 -1.32 0.00 0.00 176.35 175.36 1u0k s ALA 22 N 0.46 3.68 -0.11 5.97 0.00 -1.23 -0.86 121.76 129.67 1u0k s ALA 22 Ca -0.02 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1u0k s ALA 22 Cb -0.04 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.12 1u0k s ALA 22 CO -0.02 0.41 -0.17 0.08 0.00 0.00 0.00 175.76 176.06 1u0k s VAL 23 N -0.38 1.63 -0.39 0.00 1.01 -0.16 -1.31 120.40 120.80 1u0k s VAL 23 Ca 0.11 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1u0k s VAL 23 Cb -0.12 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1u0k s VAL 23 CO 0.01 0.47 0.25 -0.36 0.00 0.00 0.00 175.10 175.47 1u0k s PHE 24 N 0.89 3.24 -0.52 5.22 0.40 -0.23 -0.71 117.98 126.27 1u0k s PHE 24 Ca -0.08 -0.79 0.26 0.00 -0.60 0.00 0.00 56.93 55.72 1u0k s PHE 24 Cb -0.15 -2.50 0.77 0.00 0.51 0.00 0.00 43.02 41.64 1u0k s PHE 24 CO -0.01 -0.62 1.74 0.38 0.70 0.00 0.00 175.22 177.42 1u0k h ASP 25 N 8.52 0.00 -2.01 1.36 2.03 -1.86 -0.33 116.42 124.13 1u0k h ASP 25 Ca -0.26 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.69 1u0k h ASP 25 Cb 1.11 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.30 1u0k h ASP 25 CO 0.69 0.00 -0.66 -0.62 -1.03 0.00 0.00 179.24 177.62 1u0k s ASP 26 N -5.08 1.31 -0.28 4.15 -1.08 -1.25 -4.62 116.67 109.83 1u0k s ASP 26 Ca 0.08 -1.24 0.11 0.00 -0.52 0.00 0.00 52.55 50.98 1u0k s ASP 26 Cb 0.09 0.57 0.74 0.00 -1.46 0.00 0.00 42.92 42.86 1u0k s ASP 26 CO 0.58 -0.31 1.73 0.00 0.52 0.00 0.00 175.17 177.69 1u0k n ALA 27 N 4.67 4.23 0.24 3.66 0.00 0.16 -4.61 120.51 128.86 1u0k n ALA 27 Ca 0.06 -2.05 0.16 0.00 0.00 0.00 0.00 53.44 51.61 1u0k n ALA 27 Cb 0.46 -1.20 0.85 0.00 0.00 0.00 0.00 19.45 19.56 1u0k n ALA 27 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1u0k h SER 28 N 3.07 0.00 0.53 0.00 0.02 -1.95 -1.69 113.55 113.53 1u0k h SER 28 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1u0k h SER 28 Cb 2.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.67 1u0k h SER 28 CO 0.62 0.00 -0.25 0.00 -1.14 0.00 0.00 176.83 176.05 1u0k n ALA 29 N -2.35 3.01 -2.77 3.77 0.00 -1.26 -4.90 120.51 116.01 1u0k n ALA 29 Ca -0.00 -0.28 -0.37 0.00 0.00 0.00 0.00 53.44 52.79 1u0k n ALA 29 Cb 0.22 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 1u0k n ALA 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u0k s LEU 30 N -2.79 4.33 0.79 0.00 1.43 -0.64 -5.05 118.68 116.76 1u0k s LEU 30 Ca 0.18 0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 53.69 1u0k s LEU 30 Cb 0.19 -2.19 0.13 0.00 0.03 0.00 0.00 46.19 44.35 1u0k s LEU 30 CO 0.58 0.29 1.10 1.51 0.23 0.00 0.00 176.35 180.06 1u0k s ASP 31 N -0.45 4.14 0.23 2.29 1.47 -1.26 -4.96 116.67 118.13 1u0k s ASP 31 Ca 0.15 0.12 -0.07 0.00 1.18 0.00 0.00 52.55 53.92 1u0k s ASP 31 Cb -0.12 -0.49 0.22 0.00 -0.34 0.00 0.00 42.92 42.18 1u0k s ASP 31 CO 0.04 -2.03 1.90 0.44 0.68 0.00 0.00 175.17 176.19 1u0k h ASP 32 N -0.89 1.07 -0.77 2.11 5.19 -1.99 -2.04 116.42 119.09 1u0k h ASP 32 Ca -0.42 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 55.93 1u0k h ASP 32 Cb 1.27 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 40.48 1u0k h ASP 32 CO 0.47 0.80 0.41 0.00 -3.12 0.00 0.00 179.24 177.79 1u0k h ALA 33 N 1.32 0.99 0.00 3.45 0.00 -2.05 -1.59 119.26 121.39 1u0k h ALA 33 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1u0k h ALA 33 Cb -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.37 1u0k h ALA 33 CO -0.07 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1u0k n ALA 34 N -2.37 1.83 0.00 0.00 0.00 -0.77 -1.05 120.51 118.15 1u0k n ALA 34 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1u0k n ALA 34 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1u0k n ALA 34 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1u0k n GLN 36 N 0.80 0.00 -0.17 0.00 -0.06 -0.60 -0.70 117.38 116.66 1u0k n GLN 36 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 57.00 54.89 1u0k n GLN 36 Cb 0.17 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.35 1u0k n GLN 36 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1u0k h ALA 37 N 0.00 0.70 -0.27 1.69 0.00 -1.35 -2.20 119.26 117.83 1u0k h ALA 37 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1u0k h ALA 37 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1u0k h ALA 37 CO 0.00 0.68 -0.25 -1.49 0.00 0.00 0.00 179.25 178.18 1u0k h TRP 38 N 0.88 0.58 -0.55 0.00 4.06 -1.17 -0.56 115.95 119.19 1u0k h TRP 38 Ca 0.12 -0.12 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1u0k h TRP 38 Cb 0.78 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.77 1u0k h TRP 38 CO 0.05 0.73 0.30 1.15 -3.56 0.00 0.00 178.44 177.11 1u0k h THR 39 N 0.45 1.18 -0.11 1.49 2.02 -1.75 -1.46 112.91 114.74 1u0k h THR 39 Ca 0.07 -0.46 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 1u0k h THR 39 Cb 0.68 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1u0k h THR 39 CO 0.05 0.20 -0.37 0.03 0.37 0.00 0.00 175.52 175.80 1u0k h ARG 40 N 0.74 0.22 -0.11 6.66 3.08 -1.12 -2.05 114.38 121.81 1u0k h ARG 40 Ca 0.19 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1u0k h ARG 40 Cb 0.04 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1u0k h ARG 40 CO -0.03 0.57 0.05 1.49 -1.07 0.00 0.00 179.97 180.98 1u0k h GLU 41 N 0.19 0.15 0.00 0.04 4.57 -0.57 -3.27 114.58 115.70 1u0k h GLU 41 Ca 0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1u0k h GLU 41 Cb 0.75 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1u0k h GLU 41 CO 0.06 0.22 -0.38 -0.07 -1.18 0.00 0.00 179.01 177.65 1u0k h LEU 42 N 0.05 0.00 0.51 1.64 3.38 -1.16 -3.47 115.31 116.26 1u0k h LEU 42 Ca 0.04 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 1u0k h LEU 42 Cb 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 1u0k h LEU 42 CO -0.00 0.00 -0.20 0.54 0.09 0.00 0.00 178.44 178.87 1u0k n ARG 43 N -2.91 -1.56 -2.44 1.13 1.74 -0.78 -4.98 116.66 106.86 1u0k n ARG 43 Ca 0.03 0.86 -0.35 0.00 -0.77 0.00 0.00 57.85 57.62 1u0k n ARG 43 Cb 0.53 -5.20 -0.02 0.00 -1.02 0.00 0.00 32.46 26.75 1u0k n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1u0k s GLN 44 N -2.84 3.67 0.28 5.56 -1.52 -1.26 -4.93 119.66 118.62 1u0k s GLN 44 Ca 0.00 1.46 0.00 0.00 -1.95 0.00 0.00 55.36 54.88 1u0k s GLN 44 Cb 0.00 -2.10 0.53 0.00 -0.22 0.00 0.00 33.01 31.22 1u0k s GLN 44 CO 0.00 -0.56 1.83 0.35 -0.25 0.00 0.00 175.29 176.67 1u0k h PHE 45 N 1.50 1.11 -3.97 0.91 3.57 -1.94 -3.40 116.94 114.72 1u0k h PHE 45 Ca -0.50 0.03 -0.35 0.00 3.53 0.00 0.00 57.97 60.69 1u0k h PHE 45 Cb 1.23 -0.35 -0.23 0.00 2.79 0.00 0.00 35.95 39.39 1u0k h PHE 45 CO 0.55 0.45 -0.76 -1.21 -2.23 0.00 0.00 178.31 175.11 1u0k s GLU 46 N -5.97 0.66 0.10 1.11 2.02 -1.26 -4.02 118.70 111.35 1u0k s GLU 46 Ca -0.12 -0.72 0.09 0.00 0.02 0.00 0.00 54.97 54.24 1u0k s GLU 46 Cb 0.22 -0.56 -0.04 0.00 0.10 0.00 0.00 34.13 33.85 1u0k s GLU 46 CO 0.81 0.13 -0.18 -1.12 0.02 0.00 0.00 175.26 174.91 1u0k s SER 47 N -1.31 3.85 -0.02 -0.19 0.01 -0.59 -3.51 113.70 111.95 1u0k s SER 47 Ca -0.04 -0.54 0.06 0.00 1.31 0.00 0.00 55.95 56.74 1u0k s SER 47 Cb -0.08 -0.55 -0.01 0.00 0.21 0.00 0.00 66.02 65.58 1u0k s SER 47 CO 0.01 0.20 -0.20 -0.51 0.41 0.00 0.00 173.24 173.15 1u0k s ILE 48 N -1.09 1.57 -0.15 1.44 2.07 -0.43 -1.61 121.20 122.99 1u0k s ILE 48 Ca 0.17 -0.84 0.02 0.00 -1.41 0.00 0.00 60.65 58.58 1u0k s ILE 48 Cb -0.11 -1.30 0.02 0.00 0.13 0.00 0.00 42.46 41.20 1u0k s ILE 48 CO 0.09 0.44 -0.20 -0.36 -1.91 0.00 0.00 174.94 173.00 1u0k s PHE 49 N -0.43 2.60 -0.10 3.50 0.40 0.14 -1.06 117.98 123.02 1u0k s PHE 49 Ca 0.07 -1.41 -0.05 0.00 -0.60 0.00 0.00 56.93 54.94 1u0k s PHE 49 Cb -0.08 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1u0k s PHE 49 CO -0.00 -0.68 0.09 -0.51 0.70 0.00 0.00 175.22 174.81 1u0k s LEU 50 N 1.09 4.06 -0.29 -0.37 1.43 -0.13 -1.16 118.68 123.31 1u0k s LEU 50 Ca -0.01 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1u0k s LEU 50 Cb -0.14 -2.00 0.08 0.00 0.03 0.00 0.00 46.19 44.16 1u0k s LEU 50 CO -0.07 0.39 -0.02 -0.76 0.23 0.00 0.00 176.35 176.12 1u0k s LEU 51 N -1.03 3.62 0.73 1.79 1.43 0.03 -0.67 118.68 124.58 1u0k s LEU 51 Ca 0.15 -1.64 -0.12 0.00 -1.03 0.00 0.00 54.13 51.48 1u0k s LEU 51 Cb -0.12 -1.43 0.04 0.00 0.03 0.00 0.00 46.19 44.71 1u0k s LEU 51 CO 0.04 -0.29 1.10 -2.16 0.23 0.00 0.00 176.35 175.28 1u0k s PRO 52 N 1.14 2.41 0.00 1.29 0.04 -1.26 -2.07 135.00 136.55 1u0k s PRO 52 Ca 0.01 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1u0k s PRO 52 Cb -0.19 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1u0k s PRO 52 CO -0.08 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 175.83 1u0k n GLY 53 N -0.82 5.11 0.06 0.56 0.00 -1.26 -4.92 105.19 103.92 1u0k n GLY 53 Ca 0.10 -1.09 0.14 0.00 0.00 0.00 0.00 46.02 45.17 1u0k n GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u0k n ASP 54 N 0.00 0.28 -4.30 1.61 5.68 -1.26 -4.63 116.55 113.92 1u0k n ASP 54 Ca 0.00 -0.40 -0.36 0.00 -0.50 0.00 0.00 54.79 53.53 1u0k n ASP 54 Cb 0.00 -0.15 -0.13 0.00 -1.14 0.00 0.00 41.12 39.70 1u0k n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1u0k s ASP 55 N -2.52 4.74 0.12 -1.12 -1.08 -1.26 -5.00 116.67 110.55 1u0k s ASP 55 Ca 0.29 -0.69 0.16 0.00 -0.52 0.00 0.00 52.55 51.79 1u0k s ASP 55 Cb 0.20 -1.79 0.70 0.00 -1.46 0.00 0.00 42.92 40.57 1u0k s ASP 55 CO 0.47 -0.14 1.50 -0.81 0.52 0.00 0.00 175.17 176.71 1u0k n PRO 56 N 4.80 0.08 -0.16 4.34 -0.04 -1.26 -2.01 135.00 140.74 1u0k n PRO 56 Ca -0.16 0.38 0.08 0.00 -0.04 0.00 0.00 63.50 63.76 1u0k n PRO 56 Cb 0.48 -1.67 0.16 0.00 -0.04 0.00 0.00 33.50 32.44 1u0k n PRO 56 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1u0k n ARG 57 N -1.82 2.24 -4.45 0.54 1.74 -1.26 -4.97 116.66 108.68 1u0k n ARG 57 Ca 0.02 -1.98 -0.21 0.00 -0.77 0.00 0.00 57.85 54.91 1u0k n ARG 57 Cb 0.15 -1.35 -0.16 0.00 -1.02 0.00 0.00 32.46 30.08 1u0k n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u0k s ALA 58 N -1.11 0.97 0.01 7.54 0.00 -0.85 -0.89 121.76 127.43 1u0k s ALA 58 Ca 0.28 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1u0k s ALA 58 Cb 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1u0k s ALA 58 CO 0.21 0.15 -0.03 -0.06 0.00 0.00 0.00 175.76 176.03 1u0k s PHE 59 N 0.25 0.28 0.41 0.00 0.40 -0.69 -4.27 117.98 114.36 1u0k s PHE 59 Ca -0.05 -0.26 -0.22 0.00 -0.60 0.00 0.00 56.93 55.80 1u0k s PHE 59 Cb -0.10 -0.18 -0.11 0.00 0.51 0.00 0.00 43.02 43.14 1u0k s PHE 59 CO 0.01 -0.07 0.95 1.03 0.70 0.00 0.00 175.22 177.83 1u0k s ARG 60 N -0.74 4.28 0.06 0.44 0.52 -0.88 -0.60 118.95 122.03 1u0k s ARG 60 Ca -0.06 1.15 0.04 0.00 -0.52 0.00 0.00 55.73 56.34 1u0k s ARG 60 Cb -0.05 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 1u0k s ARG 60 CO -0.00 0.02 -0.12 0.00 0.02 0.00 0.00 175.30 175.21 1u0k s ALA 61 N -2.09 1.02 -0.06 2.13 0.00 -0.04 -0.79 121.76 121.93 1u0k s ALA 61 Ca 0.60 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1u0k s ALA 61 Cb -0.10 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1u0k s ALA 61 CO 0.15 0.14 -0.08 1.03 0.00 0.00 0.00 175.76 177.00 1u0k s ARG 62 N -1.53 1.24 -0.12 0.00 1.81 -0.31 -4.54 118.95 115.51 1u0k s ARG 62 Ca -0.03 -0.23 0.02 0.00 -1.72 0.00 0.00 55.73 53.77 1u0k s ARG 62 Cb -0.09 -1.17 -0.01 0.00 -0.45 0.00 0.00 34.95 33.23 1u0k s ARG 62 CO 0.02 -0.08 -0.17 0.42 -0.68 0.00 0.00 175.30 174.80 1u0k s ILE 63 N 0.99 2.67 0.01 1.52 1.01 -1.26 -0.69 121.20 125.45 1u0k s ILE 63 Ca -0.09 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 59.81 1u0k s ILE 63 Cb -0.15 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1u0k s ILE 63 CO 0.00 0.54 -0.18 -0.36 0.00 0.00 0.00 174.94 174.94 1u0k s PHE 64 N 0.30 1.58 0.71 3.97 0.40 -0.63 -0.86 117.98 123.44 1u0k s PHE 64 Ca -0.13 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1u0k s PHE 64 Cb -0.16 -0.99 0.14 0.00 0.51 0.00 0.00 43.02 42.52 1u0k s PHE 64 CO 0.07 0.01 0.97 0.25 0.70 0.00 0.00 175.22 177.22 1u0k n THR 65 N 2.35 0.00 0.34 0.64 -2.24 -0.12 -1.54 114.28 113.71 1u0k n THR 65 Ca -0.16 -1.64 0.14 0.00 -2.27 0.00 0.00 64.05 60.12 1u0k n THR 65 Cb 0.54 -0.83 0.58 0.00 -2.10 0.00 0.00 70.33 68.52 1u0k n THR 65 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1u0k h LEU 66 N 0.00 0.00 0.09 3.22 4.07 -1.84 -3.19 115.31 117.67 1u0k h LEU 66 Ca -0.32 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.29 1u0k h LEU 66 Cb 1.23 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.95 1u0k h LEU 66 CO 0.36 0.00 -1.94 -0.62 -1.08 0.00 0.00 178.44 175.17 1u0k n GLU 67 N -2.50 0.72 -3.72 1.13 4.71 -1.26 -4.90 120.64 114.81 1u0k n GLU 67 Ca 0.01 0.30 -0.03 0.00 -0.01 0.00 0.00 57.16 57.43 1u0k n GLU 67 Cb 0.23 -1.70 -0.01 0.00 -1.01 0.00 0.00 31.44 28.95 1u0k n GLU 67 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1u0k s GLU 68 N -2.52 1.07 0.27 3.49 -1.05 -1.21 -5.15 118.70 113.60 1u0k s GLU 68 Ca -0.25 -0.58 -0.30 0.00 -0.15 0.00 0.00 54.97 53.69 1u0k s GLU 68 Cb 0.07 0.37 -0.09 0.00 -0.44 0.00 0.00 34.13 34.03 1u0k s GLU 68 CO 0.72 -0.49 1.08 -2.00 0.95 0.00 0.00 175.26 175.52 1u0k s GLU 69 N -3.16 4.67 -0.51 -4.83 2.12 -1.26 -0.95 118.70 114.78 1u0k s GLU 69 Ca 0.12 1.76 0.03 0.00 0.36 0.00 0.00 54.97 57.24 1u0k s GLU 69 Cb -0.01 -3.21 0.15 0.00 0.26 0.00 0.00 34.13 31.33 1u0k s GLU 69 CO 0.01 0.25 0.33 -0.51 -0.54 0.00 0.00 175.26 174.79 1u0k s LEU 70 N -1.35 3.20 0.00 2.70 1.43 -0.04 -4.92 118.68 119.70 1u0k s LEU 70 Ca 0.44 -3.07 -0.04 0.00 -1.03 0.00 0.00 54.13 50.44 1u0k s LEU 70 Cb -0.31 -1.15 -0.16 0.00 0.03 0.00 0.00 46.19 44.60 1u0k s LEU 70 CO 0.39 -0.20 2.54 -0.81 0.23 0.00 0.00 176.35 178.51 1u0k n PRO 71 N 2.96 1.33 -4.21 1.29 -0.04 -1.26 -4.41 135.00 130.66 1u0k n PRO 71 Ca 0.15 -0.59 -0.19 0.00 -0.04 0.00 0.00 63.50 62.83 1u0k n PRO 71 Cb 0.37 -1.72 -0.12 0.00 -0.04 0.00 0.00 33.50 31.99 1u0k n PRO 71 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1u0k s PHE 72 N 1.31 1.36 -0.01 0.54 0.40 -1.26 -4.37 117.98 115.94 1u0k s PHE 72 Ca 0.39 -0.49 -0.37 0.00 -0.60 0.00 0.00 56.93 55.86 1u0k s PHE 72 Cb 0.19 -0.74 -0.16 0.00 0.51 0.00 0.00 43.02 42.81 1u0k s PHE 72 CO 0.00 0.11 1.48 0.00 0.70 0.00 0.00 175.22 177.51 1u0k n ALA 73 N 0.99 -0.58 -3.80 5.36 0.00 -1.26 -4.95 120.51 116.27 1u0k n ALA 73 Ca -0.19 0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.64 1u0k n ALA 73 Cb 0.55 -2.14 0.01 0.00 0.00 0.00 0.00 19.45 17.87 1u0k n ALA 73 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u0k s GLY 74 N 1.44 0.27 0.56 0.00 0.00 -1.26 -4.14 107.32 104.19 1u0k s GLY 74 Ca 0.88 -0.65 0.37 0.00 0.00 0.00 0.00 44.72 45.32 1u0k s GLY 74 CO 0.52 -0.27 2.11 1.12 0.00 0.00 0.00 173.10 176.58 1u0k h HIS 75 N 2.00 0.00 -0.53 1.90 2.07 -1.92 -1.65 115.15 117.02 1u0k h HIS 75 Ca -0.29 0.00 0.16 0.00 -2.85 0.00 0.00 60.37 57.39 1u0k h HIS 75 Cb 1.25 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.21 1u0k h HIS 75 CO 1.12 0.00 0.40 -1.35 -3.07 0.00 0.00 177.93 175.04 1u0k h PRO 76 N 0.00 0.00 -0.36 5.12 0.11 -1.97 -2.14 132.00 132.77 1u0k h PRO 76 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 1u0k h PRO 76 Cb 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1u0k h PRO 76 CO 0.00 0.00 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.45 1u0k h LEU 77 N 0.00 0.75 -0.47 2.35 3.38 -1.70 -1.09 115.31 118.53 1u0k h LEU 77 Ca 0.25 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1u0k h LEU 77 Cb 1.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1u0k h LEU 77 CO -0.00 0.98 0.29 -0.07 0.09 0.00 0.00 178.44 179.73 1u0k h LEU 78 N 0.63 0.56 -0.45 1.67 3.38 -1.54 -1.16 115.31 118.39 1u0k h LEU 78 Ca 0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1u0k h LEU 78 Cb 0.78 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1u0k h LEU 78 CO 0.06 0.44 0.21 1.23 0.09 0.00 0.00 178.44 180.47 1u0k h GLY 79 N 0.62 0.71 0.76 0.83 0.00 -1.31 -2.10 103.07 102.57 1u0k h GLY 79 Ca 0.17 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1u0k h GLY 79 CO -0.03 0.34 0.34 0.00 0.00 0.00 0.00 176.54 177.19 1u0k h ALA 80 N 1.05 0.79 -0.58 3.60 0.00 -1.00 -1.54 119.26 121.57 1u0k h ALA 80 Ca 0.15 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1u0k h ALA 80 Cb 0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1u0k h ALA 80 CO -0.02 0.03 0.35 0.00 0.00 0.00 0.00 179.25 179.61 1u0k h ALA 81 N 1.30 0.76 -0.55 0.00 0.00 -0.95 0.08 119.26 119.89 1u0k h ALA 81 Ca 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1u0k h ALA 81 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1u0k h ALA 81 CO -0.15 0.06 0.23 0.00 0.00 0.00 0.00 179.25 179.39 1u0k h ALA 82 N 1.27 0.71 -0.46 0.00 0.00 -1.05 -1.83 119.26 117.91 1u0k h ALA 82 Ca 0.24 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1u0k h ALA 82 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1u0k h ALA 82 CO -0.11 0.32 0.06 1.25 0.00 0.00 0.00 179.25 180.77 1u0k h LEU 83 N 0.75 0.74 -1.26 0.00 5.85 -0.88 -1.07 115.31 119.44 1u0k h LEU 83 Ca 0.18 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1u0k h LEU 83 Cb 0.19 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1u0k h LEU 83 CO -0.02 0.82 0.37 -0.07 -0.34 0.00 0.00 178.44 179.20 1u0k h LEU 84 N 0.63 0.77 -0.34 2.25 3.38 -0.79 -0.60 115.31 120.61 1u0k h LEU 84 Ca 0.14 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1u0k h LEU 84 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1u0k h LEU 84 CO 0.01 0.61 0.07 -0.74 0.09 0.00 0.00 178.44 178.48 1u0k h HIS 85 N 0.88 0.59 -0.59 1.13 2.76 -1.04 -0.98 115.15 117.91 1u0k h HIS 85 Ca 0.23 -0.08 0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1u0k h HIS 85 Cb -0.01 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.74 1u0k h HIS 85 CO 0.00 0.61 0.31 1.25 -1.30 0.00 0.00 177.93 178.81 1u0k h HIS 86 N 0.40 0.57 -0.29 5.26 -0.00 -0.48 -0.62 115.15 120.00 1u0k h HIS 86 Ca 0.11 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.34 1u0k h HIS 86 Cb 0.33 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 1u0k h HIS 86 CO 0.02 0.27 -0.46 -0.07 -0.00 0.00 0.00 177.93 177.69 1u0k h LEU 87 N 0.59 0.82 -0.05 0.26 3.38 -0.99 -3.26 115.31 116.06 1u0k h LEU 87 Ca 0.26 -0.40 -0.25 0.00 0.09 0.00 0.00 57.88 57.57 1u0k h LEU 87 Cb 0.16 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.69 1u0k h LEU 87 CO -0.17 1.16 -1.06 -0.09 0.09 0.00 0.00 178.44 178.36 1u0k h ARG 88 N 0.61 0.49 0.00 1.13 2.43 -1.00 -3.50 114.38 114.53 1u0k h ARG 88 Ca 0.03 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1u0k h ARG 88 Cb 1.03 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1u0k h ARG 88 CO 0.10 1.22 0.00 0.41 -1.51 0.00 0.00 179.97 180.19 1u0k n GLY 89 N 1.13 -2.25 0.00 2.80 0.00 -0.25 -5.10 105.19 101.51 1u0k n GLY 89 Ca -0.09 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1u0k n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u0k n GLY 90 N -0.49 2.51 0.09 -0.02 0.00 -1.26 -4.92 105.19 101.10 1u0k n GLY 90 Ca 0.00 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 44.69 1u0k n GLY 90 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u0k h ASP 91 N 0.00 0.00 -3.47 1.61 5.19 -1.99 -3.48 116.42 114.28 1u0k h ASP 91 Ca 0.00 -0.15 -0.48 0.00 -0.62 0.00 0.00 57.03 55.79 1u0k h ASP 91 Cb 0.00 0.00 0.04 0.00 0.18 0.00 0.00 39.33 39.55 1u0k h ASP 91 CO 0.00 0.07 0.11 0.54 -3.12 0.00 0.00 179.24 176.84 1u0k s ASN 92 N -4.55 5.82 0.27 6.45 4.22 -1.26 -4.69 114.94 121.19 1u0k s ASN 92 Ca 0.06 0.70 -0.30 0.00 -2.14 0.00 0.00 52.86 51.18 1u0k s ASN 92 Cb 0.12 -1.83 -0.14 0.00 1.28 0.00 0.00 41.25 40.69 1u0k s ASN 92 CO 0.72 -0.86 1.24 1.21 -2.04 0.00 0.00 177.10 177.36 1u0k n GLU 93 N -2.40 1.77 -4.65 3.55 2.13 -1.26 -4.83 120.64 114.95 1u0k n GLU 93 Ca 0.03 0.63 -0.30 0.00 0.66 0.00 0.00 57.16 58.17 1u0k n GLU 93 Cb 0.57 -2.17 -0.13 0.00 0.27 0.00 0.00 31.44 29.98 1u0k n GLU 93 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1u0k s GLN 94 N -1.10 1.76 0.02 5.31 -1.52 -0.18 -4.97 119.66 118.98 1u0k s GLN 94 Ca 0.63 -1.15 0.08 0.00 -1.95 0.00 0.00 55.36 52.97 1u0k s GLN 94 Cb -0.67 -2.03 -0.03 0.00 -0.22 0.00 0.00 33.01 30.07 1u0k s GLN 94 CO 0.56 0.50 -0.22 -1.01 -0.25 0.00 0.00 175.29 174.87 1u0k s HIS 95 N -0.94 2.45 0.03 0.91 3.76 -1.26 -0.82 115.29 119.42 1u0k s HIS 95 Ca 0.14 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.71 1u0k s HIS 95 Cb -0.10 -1.47 -0.03 0.00 1.11 0.00 0.00 32.58 32.09 1u0k s HIS 95 CO 0.05 0.14 -0.03 -1.58 -0.85 0.00 0.00 174.74 172.46 1u0k s TRP 96 N -0.79 0.37 -0.12 1.40 0.52 -0.33 -4.87 118.94 115.11 1u0k s TRP 96 Ca 0.12 -0.69 0.01 0.00 0.02 0.00 0.00 56.10 55.57 1u0k s TRP 96 Cb -0.10 -0.26 0.02 0.00 -1.15 0.00 0.00 33.47 31.97 1u0k s TRP 96 CO 0.02 -0.24 -0.14 0.99 0.02 0.00 0.00 176.95 177.61 1u0k s THR 97 N -2.18 1.44 -0.15 2.01 2.01 -0.07 -1.02 115.64 117.67 1u0k s THR 97 Ca -0.09 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 1u0k s THR 97 Cb -0.05 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 1u0k s THR 97 CO -0.04 0.43 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.48 1u0k s LEU 98 N 1.17 2.94 -0.32 4.42 1.43 -0.30 -1.70 118.68 126.32 1u0k s LEU 98 Ca -0.03 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 1u0k s LEU 98 Cb -0.14 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1u0k s LEU 98 CO -0.04 0.14 0.19 -1.00 0.23 0.00 0.00 176.35 175.86 1u0k s HIS 99 N 0.53 3.20 0.33 0.29 3.76 0.23 -0.91 115.29 122.72 1u0k s HIS 99 Ca -0.06 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 1u0k s HIS 99 Cb -0.15 -2.40 -0.02 0.00 1.11 0.00 0.00 32.58 31.12 1u0k s HIS 99 CO 0.03 -0.43 0.50 -0.51 -0.85 0.00 0.00 174.74 173.48 1u0k s LEU 100 N 1.65 4.01 0.22 0.89 1.43 0.17 -0.86 118.68 126.19 1u0k s LEU 100 Ca 0.05 0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 1u0k s LEU 100 Cb -0.17 -3.01 0.33 0.00 0.03 0.00 0.00 46.19 43.37 1u0k s LEU 100 CO 0.08 -0.35 1.67 0.00 0.23 0.00 0.00 176.35 177.98 1u0k h ALA 101 N 0.83 0.70 0.04 4.21 0.00 -1.82 -2.92 119.26 120.30 1u0k h ALA 101 Ca -0.49 0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.36 1u0k h ALA 101 Cb 1.24 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1u0k h ALA 101 CO 0.58 -0.37 -1.04 0.66 0.00 0.00 0.00 179.25 179.08 1u0k h SER 102 N 0.16 0.49 -5.03 0.00 4.64 -1.96 -3.48 113.55 108.38 1u0k h SER 102 Ca 0.34 -0.43 0.06 0.00 -0.47 0.00 0.00 61.79 61.29 1u0k h SER 102 Cb 0.56 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.45 1u0k h SER 102 CO -0.51 1.26 0.19 -1.59 -0.87 0.00 0.00 176.83 175.31 1u0k s LYS 103 N -3.07 1.77 -0.06 4.77 -2.85 -1.10 -5.16 119.74 114.04 1u0k s LYS 103 Ca -0.05 -1.02 -0.07 0.00 -1.00 0.00 0.00 55.97 53.82 1u0k s LYS 103 Cb 0.08 0.59 -0.04 0.00 -2.06 0.00 0.00 37.83 36.40 1u0k s LYS 103 CO 0.87 -0.80 0.21 0.45 0.10 0.00 0.00 175.35 176.18 1u0k s SER 104 N -2.93 6.47 -0.10 0.03 0.15 -1.26 -0.66 113.70 115.41 1u0k s SER 104 Ca 0.12 0.55 0.01 0.00 0.70 0.00 0.00 55.95 57.33 1u0k s SER 104 Cb -0.05 -2.09 0.02 0.00 -1.71 0.00 0.00 66.02 62.18 1u0k s SER 104 CO 0.07 0.34 -0.12 -0.69 1.20 0.00 0.00 173.24 174.05 1u0k s VAL 105 N -1.14 1.23 -0.03 4.45 1.01 -0.09 -4.99 120.40 120.85 1u0k s VAL 105 Ca 0.21 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 1u0k s VAL 105 Cb -0.13 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1u0k s VAL 105 CO 0.10 0.39 0.70 0.00 0.00 0.00 0.00 175.10 176.29 1u0k s ALA 106 N 1.11 3.37 0.14 5.51 0.00 -1.26 -1.15 121.76 129.48 1u0k s ALA 106 Ca -0.05 0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.11 1u0k s ALA 106 Cb -0.14 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1u0k s ALA 106 CO -0.02 -0.01 -0.12 -0.51 0.00 0.00 0.00 175.76 175.09 1u0k s LEU 107 N 0.40 2.46 0.06 0.00 1.02 -0.19 -1.67 118.68 120.76 1u0k s LEU 107 Ca 0.37 -0.89 0.04 0.00 0.02 0.00 0.00 54.13 53.67 1u0k s LEU 107 Cb -0.18 -0.47 -0.03 0.00 0.02 0.00 0.00 46.19 45.53 1u0k s LEU 107 CO 0.19 -0.22 -0.13 0.00 0.02 0.00 0.00 176.35 176.22 1u0k s ARG 108 N -3.11 0.76 0.02 1.70 1.70 -0.46 -1.19 118.95 118.38 1u0k s ARG 108 Ca 0.12 -0.89 0.01 0.00 -0.47 0.00 0.00 55.73 54.50 1u0k s ARG 108 Cb -0.02 -0.72 -0.02 0.00 -0.57 0.00 0.00 34.95 33.62 1u0k s ARG 108 CO 0.02 0.16 -0.04 -1.54 -1.08 0.00 0.00 175.30 172.82 1u0k s SER 109 N -1.65 0.45 0.09 -2.89 1.04 -0.00 -1.26 113.70 109.48 1u0k s SER 109 Ca -0.03 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.07 1u0k s SER 109 Cb -0.10 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1u0k s SER 109 CO 0.02 -0.16 -0.10 0.68 0.98 0.00 0.00 173.24 174.66 1u0k s VAL 110 N -0.96 0.95 0.37 5.02 -7.23 -0.17 -1.01 120.40 117.37 1u0k s VAL 110 Ca -0.08 -1.61 -0.26 0.00 -1.81 0.00 0.00 61.98 58.21 1u0k s VAL 110 Cb -0.07 -1.33 -0.09 0.00 0.56 0.00 0.00 36.38 35.45 1u0k s VAL 110 CO -0.00 -0.53 1.17 -0.13 -0.31 0.00 0.00 175.10 175.30 1u0k s ARG 111 N -2.70 4.19 -0.27 4.82 0.52 -1.26 -0.73 118.95 123.51 1u0k s ARG 111 Ca 0.05 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.13 1u0k s ARG 111 Cb -0.03 -2.80 0.15 0.00 0.52 0.00 0.00 34.95 32.79 1u0k s ARG 111 CO 0.00 -0.21 0.39 0.00 0.02 0.00 0.00 175.30 175.50 1u0k s ALA 112 N -1.35 -1.12 0.00 2.13 0.00 -0.47 -4.70 121.76 116.25 1u0k s ALA 112 Ca 0.54 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1u0k s ALA 112 Cb -0.32 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1u0k s ALA 112 CO 0.40 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 175.00 1u0k n GLY 113 N 5.35 4.06 0.08 0.00 0.00 -1.26 -1.36 105.19 112.07 1u0k n GLY 113 Ca -0.01 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1u0k n GLY 113 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u0k n SER 114 N 7.33 0.59 0.00 1.61 3.41 -1.26 -4.89 113.62 120.41 1u0k n SER 114 Ca 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1u0k n SER 114 Cb 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1u0k n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u0k n GLY 115 N 0.99 4.58 3.11 5.00 0.00 -0.46 -4.82 105.19 113.59 1u0k n GLY 115 Ca 0.05 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 1u0k n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u0k s PHE 116 N 3.83 0.53 -0.11 1.61 0.40 -0.39 -1.37 117.98 122.48 1u0k s PHE 116 Ca 0.00 -1.05 0.03 0.00 -0.60 0.00 0.00 56.93 55.32 1u0k s PHE 116 Cb 0.00 -0.37 -0.00 0.00 0.51 0.00 0.00 43.02 43.16 1u0k s PHE 116 CO 0.00 -0.42 -0.22 -0.47 0.70 0.00 0.00 175.22 174.81 1u0k s TYR 117 N -3.93 2.62 0.07 0.36 5.04 0.09 -0.60 117.35 120.99 1u0k s TYR 117 Ca 0.09 -1.05 0.07 0.00 -2.44 0.00 0.00 57.07 53.74 1u0k s TYR 117 Cb 0.08 -1.75 -0.03 0.00 0.35 0.00 0.00 41.96 40.61 1u0k s TYR 117 CO -0.08 -0.43 -0.19 0.00 -1.34 0.00 0.00 175.55 173.50 1u0k s ALA 118 N 0.44 1.63 0.18 3.97 0.00 -0.48 -1.00 121.76 126.51 1u0k s ALA 118 Ca -0.15 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.76 1u0k s ALA 118 Cb -0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1u0k s ALA 118 CO 0.06 0.34 0.16 -1.91 0.00 0.00 0.00 175.76 174.41 1u0k n GLU 119 N 1.55 0.23 -3.65 0.00 2.13 -0.39 -1.24 120.64 119.27 1u0k n GLU 119 Ca -0.18 -1.79 -0.27 0.00 0.66 0.00 0.00 57.16 55.57 1u0k n GLU 119 Cb 0.54 1.49 -0.17 0.00 0.27 0.00 0.00 31.44 33.57 1u0k n GLU 119 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1u0k s ASP 121 N -2.26 2.69 0.00 4.31 2.15 -0.67 -1.35 116.67 121.54 1u0k s ASP 121 Ca 0.21 -0.77 0.29 0.00 0.43 0.00 0.00 52.55 52.71 1u0k s ASP 121 Cb 0.01 -0.38 1.27 0.00 -0.30 0.00 0.00 42.92 43.52 1u0k s ASP 121 CO 0.15 -0.35 1.87 0.00 -0.17 0.00 0.00 175.17 176.68 1u0k n GLN 122 N 5.19 1.10 -0.00 4.34 6.02 -0.14 -4.32 117.38 129.57 1u0k n GLN 122 Ca -0.07 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 1u0k n GLN 122 Cb 0.48 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 30.24 1u0k n GLN 122 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u0k n GLY 123 N 1.19 -1.95 3.80 1.08 0.00 -1.25 -4.84 105.19 103.21 1u0k n GLY 123 Ca 0.18 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 1u0k n GLY 123 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u0k s ARG 124 N -0.02 4.39 0.34 1.61 1.70 -1.26 -1.27 118.95 124.45 1u0k s ARG 124 Ca 0.00 1.02 -0.27 0.00 -0.47 0.00 0.00 55.73 56.02 1u0k s ARG 124 Cb 0.00 -2.98 -0.09 0.00 -0.57 0.00 0.00 34.95 31.31 1u0k s ARG 124 CO 0.00 0.43 1.06 0.00 -1.08 0.00 0.00 175.30 175.71 1u0k s ALA 125 N -1.43 3.24 -0.25 7.88 0.00 -1.26 -4.83 121.76 125.11 1u0k s ALA 125 Ca 0.42 0.78 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 1u0k s ALA 125 Cb -0.19 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1u0k s ALA 125 CO 0.23 -0.17 0.15 -2.00 0.00 0.00 0.00 175.76 173.97 1u0k s GLU 126 N -1.97 3.96 -0.24 0.00 2.12 0.36 -4.93 118.70 118.01 1u0k s GLU 126 Ca 0.51 -0.32 -0.16 0.00 0.36 0.00 0.00 54.97 55.36 1u0k s GLU 126 Cb -0.26 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 1u0k s GLU 126 CO 0.34 -0.05 0.42 -0.06 -0.54 0.00 0.00 175.26 175.36 1u0k s PHE 127 N 1.37 3.31 0.00 5.30 0.40 -1.26 -1.69 117.98 125.40 1u0k s PHE 127 Ca 0.07 0.56 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 1u0k s PHE 127 Cb -0.15 -2.59 0.00 0.00 0.51 0.00 0.00 43.02 40.80 1u0k s PHE 127 CO 0.07 -0.14 0.00 0.41 0.70 0.00 0.00 175.22 176.25 1u0k n GLY 128 N 4.27 2.44 3.73 4.36 0.00 0.70 -5.02 105.19 115.67 1u0k n GLY 128 Ca -0.07 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 1u0k n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0k s ALA 129 N -2.44 2.29 -0.25 4.61 0.00 -1.26 -4.63 121.76 120.09 1u0k s ALA 129 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1u0k s ALA 129 Cb 0.00 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.66 1u0k s ALA 129 CO 0.00 -1.64 -0.09 0.99 0.00 0.00 0.00 175.76 175.02 1u0k s THR 130 N -1.70 2.53 0.45 0.00 2.01 -1.26 -1.83 115.64 115.85 1u0k s THR 130 Ca 0.78 -1.27 -0.24 0.00 0.31 0.00 0.00 61.69 61.27 1u0k s THR 130 Cb -0.32 -2.35 -0.08 0.00 0.01 0.00 0.00 72.50 69.76 1u0k s THR 130 CO 0.41 0.13 1.32 -2.16 -0.69 0.00 0.00 174.62 173.63 1u0k s PRO 131 N 1.23 3.70 1.13 4.92 0.04 -1.26 -5.02 135.00 139.75 1u0k s PRO 131 Ca -0.03 2.16 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 1u0k s PRO 131 Cb -0.18 -2.58 0.25 0.00 0.04 0.00 0.00 34.50 32.04 1u0k s PRO 131 CO -0.05 -0.71 1.10 0.16 0.04 0.00 0.00 177.00 177.53 1u0k s ASP 132 N -0.84 1.51 0.21 6.66 1.47 -1.26 -4.74 116.67 119.69 1u0k s ASP 132 Ca 0.62 0.85 -0.08 0.00 1.18 0.00 0.00 52.55 55.12 1u0k s ASP 132 Cb -0.38 -1.27 0.14 0.00 -0.34 0.00 0.00 42.92 41.07 1u0k s ASP 132 CO 0.48 -3.78 1.76 0.00 0.68 0.00 0.00 175.17 174.31 1u0k h ALA 133 N -2.34 1.00 -0.55 2.11 0.00 -2.00 -1.70 119.26 115.77 1u0k h ALA 133 Ca -0.49 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.13 1u0k h ALA 133 Cb 1.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1u0k h ALA 133 CO 0.44 0.65 0.01 0.78 0.00 0.00 0.00 179.25 181.12 1u0k h GLY 134 N 1.12 1.01 1.09 0.00 0.00 -2.00 -2.79 103.07 101.50 1u0k h GLY 134 Ca 0.25 -0.70 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 1u0k h GLY 134 CO -0.02 0.65 -0.16 -0.84 0.00 0.00 0.00 176.54 176.17 1u0k h THR 135 N 0.87 1.27 -0.65 4.70 2.02 -1.83 -2.04 112.91 117.25 1u0k h THR 135 Ca 0.16 -1.32 0.04 0.00 0.77 0.00 0.00 66.41 66.06 1u0k h THR 135 Cb 0.50 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1u0k h THR 135 CO 0.02 0.46 0.39 0.00 0.37 0.00 0.00 175.52 176.77 1u0k h ARG 137 N 0.76 1.10 -0.55 0.00 2.43 -1.32 -2.64 114.38 114.16 1u0k h ARG 137 Ca 0.27 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1u0k h ARG 137 Cb 0.06 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1u0k h ARG 137 CO -0.12 0.86 0.36 2.35 -1.51 0.00 0.00 179.97 181.90 1u0k h TRP 138 N 1.08 0.70 -0.46 2.20 7.01 -0.81 -2.58 115.95 123.09 1u0k h TRP 138 Ca 0.26 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.19 1u0k h TRP 138 Cb 0.12 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 1u0k h TRP 138 CO 0.01 0.45 -0.04 0.74 -2.79 0.00 0.00 178.44 176.81 1u0k h PHE 139 N 0.75 0.85 -0.37 2.65 -1.00 -1.22 -1.52 116.94 117.07 1u0k h PHE 139 Ca 0.20 -0.13 0.03 0.00 2.81 0.00 0.00 57.97 60.88 1u0k h PHE 139 Cb -0.07 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.23 1u0k h PHE 139 CO -0.03 0.81 0.17 0.00 -1.61 0.00 0.00 178.31 177.64 1u0k h ALA 140 N 1.22 0.45 0.00 2.45 0.00 -1.22 -2.66 119.26 119.50 1u0k h ALA 140 Ca 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1u0k h ALA 140 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1u0k h ALA 140 CO 0.03 -0.21 -0.22 0.93 0.00 0.00 0.00 179.25 179.78 1u0k h GLU 141 N 0.35 0.00 0.00 0.00 5.08 -1.10 -0.25 114.58 118.66 1u0k h GLU 141 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1u0k h GLU 141 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1u0k h GLU 141 CO -0.13 0.22 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 1u0k h ALA 142 N 1.78 1.00 -0.33 3.43 0.00 -0.93 -2.33 119.26 121.87 1u0k h ALA 142 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1u0k h ALA 142 Cb 0.77 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 1u0k h ALA 142 CO 0.03 0.00 -0.05 1.19 0.00 0.00 0.00 179.25 180.42 1u0k n PHE 143 N -2.77 1.06 -2.66 0.00 3.01 -0.72 -0.77 117.46 114.61 1u0k n PHE 143 Ca 0.00 -1.45 -0.20 0.00 1.01 0.00 0.00 57.45 56.81 1u0k n PHE 143 Cb 0.23 -0.46 0.01 0.00 -0.01 0.00 0.00 39.48 39.25 1u0k n PHE 143 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1u0k n SER 144 N -1.02 -5.72 -4.69 4.37 7.64 -0.88 -1.98 113.62 111.35 1u0k n SER 144 Ca 0.31 -0.14 -0.28 0.00 1.01 0.00 0.00 58.87 59.77 1u0k n SER 144 Cb 1.01 -4.65 -0.09 0.00 -1.01 0.00 0.00 64.21 59.46 1u0k n SER 144 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u0k s LEU 145 N -5.92 2.83 0.48 -3.43 1.02 -0.18 -4.87 118.68 108.61 1u0k s LEU 145 Ca 0.14 -1.34 0.06 0.00 0.02 0.00 0.00 54.13 53.00 1u0k s LEU 145 Cb -0.06 -1.01 -0.01 0.00 0.02 0.00 0.00 46.19 45.13 1u0k s LEU 145 CO 0.17 -0.57 0.26 -0.94 0.02 0.00 0.00 176.35 175.29 1u0k s SER 146 N -3.81 4.51 0.45 2.29 1.04 -1.26 -2.96 113.70 113.96 1u0k s SER 146 Ca 0.31 -1.20 0.21 0.00 0.48 0.00 0.00 55.95 55.75 1u0k s SER 146 Cb 0.07 0.01 1.07 0.00 0.10 0.00 0.00 66.02 67.27 1u0k s SER 146 CO 0.17 -0.82 1.93 0.00 0.98 0.00 0.00 173.24 175.50 1u0k h ALA 147 N 1.12 1.28 0.00 5.32 0.00 -1.94 -2.38 119.26 122.66 1u0k h ALA 147 Ca -0.41 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 1u0k h ALA 147 Cb 1.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1u0k h ALA 147 CO 0.65 0.29 -0.31 -2.95 0.00 0.00 0.00 179.25 176.93 1u0k h ASN 148 N 0.00 0.00 0.67 0.00 -1.07 -2.00 -3.02 115.58 110.16 1u0k h ASN 148 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1u0k h ASN 148 Cb 0.53 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.78 1u0k h ASN 148 CO 0.03 0.31 0.00 0.44 0.07 0.00 0.00 177.43 178.28 1u0k h ASP 149 N 0.00 0.00 -4.09 6.14 3.45 -1.83 -3.44 116.42 116.66 1u0k h ASP 149 Ca -0.00 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 56.97 1u0k h ASP 149 Cb 0.89 0.00 0.05 0.00 -0.56 0.00 0.00 39.33 39.71 1u0k h ASP 149 CO 0.04 0.00 0.41 -0.76 -1.57 0.00 0.00 179.24 177.36 1u0k s LEU 150 N -4.84 3.78 0.80 1.55 1.43 -1.14 -1.61 118.68 118.65 1u0k s LEU 150 Ca 0.03 2.04 -0.06 0.00 -1.03 0.00 0.00 54.13 55.10 1u0k s LEU 150 Cb 0.09 -4.57 0.15 0.00 0.03 0.00 0.00 46.19 41.89 1u0k s LEU 150 CO 0.40 -1.01 1.11 -0.44 0.23 0.00 0.00 176.35 176.64 1u0k s SER 151 N -1.94 3.92 -0.03 2.29 0.01 -0.53 -4.78 113.70 112.65 1u0k s SER 151 Ca 0.70 -0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.83 1u0k s SER 151 Cb -0.20 -0.11 0.13 0.00 0.21 0.00 0.00 66.02 66.05 1u0k s SER 151 CO 0.24 -2.17 0.80 0.61 0.41 0.00 0.00 173.24 173.14 1u0k n GLY 152 N -3.16 1.18 3.40 3.44 0.00 -1.26 -4.82 105.19 103.97 1u0k n GLY 152 Ca 0.15 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1u0k n GLY 152 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u0k s HIS 153 N -1.43 2.41 0.03 1.61 3.76 -1.26 -5.09 115.29 115.33 1u0k s HIS 153 Ca 0.09 -0.34 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 1u0k s HIS 153 Cb 0.06 -1.38 -0.06 0.00 1.11 0.00 0.00 32.58 32.31 1u0k s HIS 153 CO 0.03 0.24 1.35 -1.25 -0.85 0.00 0.00 174.74 174.27 1u0k s PRO 154 N -1.57 4.32 0.26 8.40 0.04 -1.26 -4.70 135.00 140.49 1u0k s PRO 154 Ca 0.14 1.94 -0.31 0.00 0.04 0.00 0.00 61.00 62.81 1u0k s PRO 154 Cb -0.10 -3.46 -0.13 0.00 0.04 0.00 0.00 34.50 30.84 1u0k s PRO 154 CO 0.05 -0.49 1.39 -2.30 0.04 0.00 0.00 177.00 175.69 1u0k n PRO 155 N 4.82 2.06 -3.75 0.56 -0.02 -1.26 -4.85 135.00 132.56 1u0k n PRO 155 Ca 0.12 0.73 -0.13 0.00 -2.02 0.00 0.00 63.50 62.20 1u0k n PRO 155 Cb 0.44 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 1u0k n PRO 155 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1u0k s ARG 156 N -0.66 0.73 -0.18 -0.52 0.52 -0.96 -4.18 118.95 113.70 1u0k s ARG 156 Ca 0.66 -0.30 -0.26 0.00 -0.52 0.00 0.00 55.73 55.32 1u0k s ARG 156 Cb -0.63 0.32 -0.01 0.00 0.52 0.00 0.00 34.95 35.15 1u0k s ARG 156 CO 0.52 -0.22 0.85 0.08 0.02 0.00 0.00 175.30 176.55 1u0k s VAL 157 N -1.77 4.86 0.01 3.52 1.01 -0.76 -0.81 120.40 126.45 1u0k s VAL 157 Ca -0.10 1.66 0.03 0.00 0.00 0.00 0.00 61.98 63.57 1u0k s VAL 157 Cb -0.03 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1u0k s VAL 157 CO 0.02 -0.00 -0.10 -0.69 0.00 0.00 0.00 175.10 174.32 1u0k s VAL 158 N 2.31 0.80 -0.12 2.92 1.01 -0.25 -0.21 120.40 126.86 1u0k s VAL 158 Ca 0.39 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1u0k s VAL 158 Cb -0.16 -0.70 0.04 0.00 0.00 0.00 0.00 36.38 35.55 1u0k s VAL 158 CO 0.11 0.12 0.30 -0.55 0.00 0.00 0.00 175.10 175.08 1u0k s SER 159 N -0.51 -0.32 -0.20 3.32 0.15 -0.68 -1.79 113.70 113.66 1u0k s SER 159 Ca 0.02 0.61 0.14 0.00 0.70 0.00 0.00 55.95 57.42 1u0k s SER 159 Cb -0.05 0.58 0.44 0.00 -1.71 0.00 0.00 66.02 65.28 1u0k s SER 159 CO 0.00 -0.13 1.33 0.35 1.20 0.00 0.00 173.24 175.99 1u0k n THR 160 N 3.36 2.24 0.00 6.45 -2.24 -1.26 -0.48 114.28 122.35 1u0k n THR 160 Ca -0.17 -2.44 0.00 0.00 -2.27 0.00 0.00 64.05 59.18 1u0k n THR 160 Cb 0.57 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1u0k n THR 160 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u0k n GLY 161 N -1.03 1.41 3.40 3.38 0.00 -1.26 -4.53 105.19 106.56 1u0k n GLY 161 Ca 0.23 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1u0k n GLY 161 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u0k s LEU 162 N 0.00 4.78 -0.02 0.99 2.96 -1.26 -4.97 118.68 121.16 1u0k s LEU 162 Ca 0.00 -0.93 -0.30 0.00 -0.22 0.00 0.00 54.13 52.68 1u0k s LEU 162 Cb 0.00 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 1u0k s LEU 162 CO 0.00 -0.39 1.32 -2.16 -1.32 0.00 0.00 176.35 173.80 1u0k s PRO 163 N 1.59 4.31 -0.09 0.98 0.04 -1.26 -4.68 135.00 135.89 1u0k s PRO 163 Ca 0.03 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 1u0k s PRO 163 Cb -0.19 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 1u0k s PRO 163 CO 0.08 -0.52 -0.03 0.71 0.04 0.00 0.00 177.00 177.27 1u0k s TYR 164 N 2.33 3.05 -0.47 0.56 1.51 -0.74 -0.95 117.35 122.64 1u0k s TYR 164 Ca 0.61 0.03 -0.29 0.00 -1.01 0.00 0.00 57.07 56.41 1u0k s TYR 164 Cb -0.29 -1.79 0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1u0k s TYR 164 CO 0.25 0.32 1.20 -1.17 -1.11 0.00 0.00 175.55 175.03 1u0k s LEU 165 N -0.62 3.62 -0.17 -1.29 0.20 0.09 -1.09 118.68 119.42 1u0k s LEU 165 Ca 0.10 0.53 -0.26 0.00 0.69 0.00 0.00 54.13 55.19 1u0k s LEU 165 Cb -0.12 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.09 1u0k s LEU 165 CO 0.02 -1.30 0.88 -0.76 -0.29 0.00 0.00 176.35 174.90 1u0k s LEU 166 N 4.69 4.17 -0.49 -0.68 1.43 0.01 -1.32 118.68 126.48 1u0k s LEU 166 Ca 0.51 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.87 1u0k s LEU 166 Cb -0.08 -3.31 0.13 0.00 0.03 0.00 0.00 46.19 42.95 1u0k s LEU 166 CO 0.32 -0.44 0.24 -0.22 0.23 0.00 0.00 176.35 176.48 1u0k s LEU 167 N 2.30 4.69 -0.03 1.79 2.96 -0.69 -2.26 118.68 127.44 1u0k s LEU 167 Ca 0.40 -2.69 -0.30 0.00 -0.22 0.00 0.00 54.13 51.32 1u0k s LEU 167 Cb -0.17 -1.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.76 1u0k s LEU 167 CO 0.12 -0.32 1.74 -2.84 -1.32 0.00 0.00 176.35 173.72 1u0k s PRO 168 N 0.16 4.17 0.31 0.98 0.02 -1.26 -2.12 135.00 137.27 1u0k s PRO 168 Ca 0.15 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.51 1u0k s PRO 168 Cb -0.23 -4.03 -0.06 0.00 0.02 0.00 0.00 34.50 30.20 1u0k s PRO 168 CO -0.03 -0.87 0.05 0.14 -0.33 0.00 0.00 177.00 175.96 1u0k s VAL 169 N 4.12 1.15 0.55 3.83 -7.23 -0.08 -1.45 120.40 121.29 1u0k s VAL 169 Ca 0.77 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.78 1u0k s VAL 169 Cb -0.36 -2.75 -0.06 0.00 0.56 0.00 0.00 36.38 33.77 1u0k s VAL 169 CO 0.33 -0.03 1.01 0.42 -0.31 0.00 0.00 175.10 176.52 1u0k s THR 170 N -3.33 4.37 0.31 5.32 -4.23 -0.63 -3.98 115.64 113.47 1u0k s THR 170 Ca 0.36 1.08 0.06 0.00 -1.18 0.00 0.00 61.69 62.01 1u0k s THR 170 Cb 0.08 -3.65 0.30 0.00 1.34 0.00 0.00 72.50 70.58 1u0k s THR 170 CO 0.15 -0.71 1.81 0.00 -0.54 0.00 0.00 174.62 175.34 1u0k h ALA 171 N 0.61 1.69 -0.30 3.99 0.00 -1.94 -1.08 119.26 122.23 1u0k h ALA 171 Ca -0.46 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1u0k h ALA 171 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1u0k h ALA 171 CO 0.60 -0.00 -0.02 1.49 0.00 0.00 0.00 179.25 181.32 1u0k h GLU 172 N 0.80 0.54 -0.34 0.00 4.81 -1.98 -3.05 114.58 115.36 1u0k h GLU 172 Ca 0.53 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1u0k h GLU 172 Cb 0.78 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1u0k h GLU 172 CO -0.31 0.69 0.06 0.00 -0.73 0.00 0.00 179.01 178.73 1u0k h ALA 173 N 0.82 1.47 -0.50 2.92 0.00 -1.69 -3.08 119.26 119.21 1u0k h ALA 173 Ca 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1u0k h ALA 173 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1u0k h ALA 173 CO 0.02 0.39 0.10 1.25 0.00 0.00 0.00 179.25 181.01 1u0k h LEU 174 N 0.50 0.71 -1.14 0.00 5.85 -1.11 -2.79 115.31 117.32 1u0k h LEU 174 Ca 0.11 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1u0k h LEU 174 Cb 0.23 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1u0k h LEU 174 CO -0.00 0.72 -0.01 1.23 -0.34 0.00 0.00 178.44 180.04 1u0k h GLY 175 N 0.94 0.00 -1.13 3.75 0.00 -1.55 -3.18 103.07 101.90 1u0k h GLY 175 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1u0k h GLY 175 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 1u0k n ARG 176 N -3.10 2.63 -2.32 4.80 1.85 -1.07 -5.03 116.66 114.42 1u0k n ARG 176 Ca 0.01 -2.54 -0.41 0.00 -1.00 0.00 0.00 57.85 53.92 1u0k n ARG 176 Cb 0.36 -1.60 -0.03 0.00 -1.05 0.00 0.00 32.46 30.13 1u0k n ARG 176 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1u0k s ALA 177 N -2.33 3.46 -0.15 2.89 0.00 -1.13 -4.88 121.76 119.62 1u0k s ALA 177 Ca 0.33 1.01 -0.05 0.00 0.00 0.00 0.00 51.96 53.26 1u0k s ALA 177 Cb 0.26 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 20.03 1u0k s ALA 177 CO 0.09 -0.41 0.31 1.03 0.00 0.00 0.00 175.76 176.77 1u0k s ARG 178 N -0.52 0.20 -0.08 0.00 0.52 -0.84 -5.02 118.95 113.23 1u0k s ARG 178 Ca 0.52 0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 56.25 1u0k s ARG 178 Cb -0.34 0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.10 1u0k s ARG 178 CO 0.39 -0.30 1.58 -1.14 0.02 0.00 0.00 175.30 175.85 1u0k s GLN 179 N 2.48 4.19 0.00 3.54 0.74 -1.26 -3.02 119.66 126.33 1u0k s GLN 179 Ca 0.01 2.09 0.00 0.00 0.05 0.00 0.00 55.36 57.51 1u0k s GLN 179 Cb -0.12 -3.94 0.00 0.00 1.10 0.00 0.00 33.01 30.04 1u0k s GLN 179 CO -0.10 -0.82 0.11 1.33 -0.55 0.00 0.00 175.29 175.26 1u0k n VAL 180 N 5.46 0.00 -4.38 1.34 0.24 0.05 -4.94 118.33 116.10 1u0k n VAL 180 Ca 0.17 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.34 61.75 1u0k n VAL 180 Cb 0.43 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.69 1u0k n VAL 180 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1u0k s ASN 181 N -0.77 2.96 0.12 -1.34 0.02 -1.23 -5.08 114.94 109.61 1u0k s ASN 181 Ca 0.00 -0.92 -0.31 0.00 -1.02 0.00 0.00 52.86 50.61 1u0k s ASN 181 Cb 0.00 -0.20 -0.07 0.00 0.02 0.00 0.00 41.25 41.00 1u0k s ASN 181 CO 0.00 -0.02 1.27 -0.62 0.02 0.00 0.00 177.10 177.76 1u0k s ASP 182 N -2.93 6.98 0.00 -1.22 2.15 -1.26 -4.94 116.67 115.45 1u0k s ASP 182 Ca 0.20 2.20 0.16 0.00 0.43 0.00 0.00 52.55 55.54 1u0k s ASP 182 Cb -0.05 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 1u0k s ASP 182 CO 0.09 -0.52 0.82 0.18 -0.17 0.00 0.00 175.17 175.57 1u0k n LEU 183 N 3.51 1.46 0.20 -1.34 4.77 -1.26 -4.78 117.00 119.56 1u0k n LEU 183 Ca 0.09 -0.72 -0.15 0.00 -0.03 0.00 0.00 56.01 55.20 1u0k n LEU 183 Cb 0.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1u0k n LEU 183 CO 0.57 0.29 0.72 -0.61 -1.33 0.00 0.00 177.39 177.02 1u0k h GLN 184 N 1.46 -0.52 -0.01 3.23 5.75 -1.93 -0.51 115.11 122.59 1u0k h GLN 184 Ca 0.00 0.04 -0.15 0.00 -0.15 0.00 0.00 58.65 58.39 1u0k h GLN 184 Cb 0.51 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 1u0k h GLN 184 CO 0.00 -0.34 -0.70 1.05 -2.65 0.00 0.00 178.83 176.19 1u0k h GLU 185 N -0.54 0.04 -0.39 1.69 4.11 -1.99 -0.44 114.58 117.06 1u0k h GLU 185 Ca -0.02 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.32 1u0k h GLU 185 Cb 0.46 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1u0k h GLU 185 CO 0.00 0.72 0.05 0.00 0.07 0.00 0.00 179.01 179.85 1u0k h ALA 186 N 1.27 0.53 -0.28 1.06 0.00 -1.84 -2.54 119.26 117.46 1u0k h ALA 186 Ca -0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1u0k h ALA 186 Cb 1.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1u0k h ALA 186 CO 0.09 0.26 -0.28 -0.07 0.00 0.00 0.00 179.25 179.25 1u0k h LEU 187 N 0.51 0.57 -0.70 0.00 3.38 -0.95 -3.05 115.31 115.06 1u0k h LEU 187 Ca 0.12 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1u0k h LEU 187 Cb 0.40 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1u0k h LEU 187 CO 0.01 0.83 0.43 0.44 0.09 0.00 0.00 178.44 180.24 1u0k h ASP 188 N 0.49 0.69 -0.51 -0.43 3.32 -0.92 -1.36 116.42 117.69 1u0k h ASP 188 Ca 0.06 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1u0k h ASP 188 Cb 0.74 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1u0k h ASP 188 CO 0.06 0.47 0.34 0.11 -1.72 0.00 0.00 179.24 178.49 1u0k h LYS 189 N 0.83 0.54 -0.02 3.56 1.57 -1.35 -2.64 116.57 119.06 1u0k h LYS 189 Ca 0.29 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1u0k h LYS 189 Cb 0.07 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1u0k h LYS 189 CO -0.13 0.36 -0.06 1.28 -0.57 0.00 0.00 179.45 180.32 1u0k n LEU 190 N -4.47 1.72 -1.53 2.94 4.77 -0.71 -4.95 117.00 114.77 1u0k n LEU 190 Ca 0.06 -0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 55.35 1u0k n LEU 190 Cb 0.16 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1u0k n LEU 190 CO 0.35 0.29 -0.13 0.61 -1.33 0.00 0.00 177.39 177.18 1u0k n GLY 191 N 1.25 -0.13 3.45 -0.72 0.00 -0.80 -4.39 105.19 103.85 1u0k n GLY 191 Ca 0.17 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1u0k n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0k s ALA 192 N -2.68 2.58 -0.19 4.61 0.00 -0.60 -4.81 121.76 120.67 1u0k s ALA 192 Ca 0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 1u0k s ALA 192 Cb -0.02 -0.65 -0.22 0.00 0.00 0.00 0.00 23.12 22.23 1u0k s ALA 192 CO 0.05 0.57 0.08 0.00 0.00 0.00 0.00 175.76 176.46 1u0k n ALA 193 N 1.22 1.14 -2.30 0.00 0.00 -0.12 -4.19 120.51 116.26 1u0k n ALA 193 Ca -0.16 -0.83 -0.08 0.00 0.00 0.00 0.00 53.44 52.37 1u0k n ALA 193 Cb 0.52 -0.40 -0.09 0.00 0.00 0.00 0.00 19.45 19.48 1u0k n ALA 193 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1u0k s PHE 194 N -2.54 0.38 -0.13 0.00 0.40 -1.18 -5.02 117.98 109.89 1u0k s PHE 194 Ca -0.28 -0.86 -0.10 0.00 -0.60 0.00 0.00 56.93 55.08 1u0k s PHE 194 Cb 0.08 -0.26 -0.05 0.00 0.51 0.00 0.00 43.02 43.30 1u0k s PHE 194 CO 0.69 -0.42 0.20 0.08 0.70 0.00 0.00 175.22 176.46 1u0k s VAL 195 N -3.74 5.38 -0.24 -0.44 1.01 -1.26 -0.73 120.40 120.38 1u0k s VAL 195 Ca 0.05 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1u0k s VAL 195 Cb 0.06 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.99 1u0k s VAL 195 CO -0.10 0.53 -0.11 -0.47 0.00 0.00 0.00 175.10 174.96 1u0k s TYR 196 N -0.46 2.92 0.13 5.22 5.04 -0.44 -4.55 117.35 125.22 1u0k s TYR 196 Ca 0.15 -2.04 -0.30 0.00 -2.44 0.00 0.00 57.07 52.43 1u0k s TYR 196 Cb -0.13 -1.82 -0.07 0.00 0.35 0.00 0.00 41.96 40.30 1u0k s TYR 196 CO 0.04 -0.83 1.10 -0.51 -1.34 0.00 0.00 175.55 174.01 1u0k s LEU 197 N 1.22 4.45 -0.10 6.97 1.43 -0.37 -1.70 118.68 130.58 1u0k s LEU 197 Ca -0.06 2.01 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 1u0k s LEU 197 Cb -0.19 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.48 1u0k s LEU 197 CO -0.06 -0.27 0.02 -0.22 0.23 0.00 0.00 176.35 176.04 1u0k s LEU 198 N 0.13 0.67 -0.60 1.79 2.96 -0.90 -1.27 118.68 121.46 1u0k s LEU 198 Ca 0.52 -0.26 -0.24 0.00 -0.22 0.00 0.00 54.13 53.93 1u0k s LEU 198 Cb -0.28 -0.44 0.05 0.00 0.50 0.00 0.00 46.19 46.02 1u0k s LEU 198 CO 0.32 -0.23 0.96 -0.62 -1.32 0.00 0.00 176.35 175.46 1u0k s ASP 199 N 1.97 6.27 0.35 3.68 2.15 -0.04 -0.91 116.67 130.14 1u0k s ASP 199 Ca 0.04 -0.60 0.15 0.00 0.43 0.00 0.00 52.55 52.57 1u0k s ASP 199 Cb -0.13 -2.43 0.64 0.00 -0.30 0.00 0.00 42.92 40.69 1u0k s ASP 199 CO -0.06 -1.33 1.74 -0.37 -0.17 0.00 0.00 175.17 174.99 1u0k h VAL 200 N 6.00 1.14 0.01 1.11 -1.51 -1.84 0.10 116.25 121.26 1u0k h VAL 200 Ca -0.27 -1.58 -0.04 0.00 -1.23 0.00 0.00 66.70 63.58 1u0k h VAL 200 Cb 1.07 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 1u0k h VAL 200 CO 1.13 0.43 -0.15 0.44 -1.23 0.00 0.00 177.57 178.18 1u0k h ASP 201 N 0.00 0.12 0.66 4.19 3.32 -1.92 -3.25 116.42 119.54 1u0k h ASP 201 Ca -0.00 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.20 1u0k h ASP 201 Cb 0.86 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1u0k h ASP 201 CO 0.06 0.95 0.00 0.61 -1.72 0.00 0.00 179.24 179.14 1u0k n GLY 202 N 1.23 -1.30 3.93 2.75 0.00 -1.22 -4.94 105.19 105.64 1u0k n GLY 202 Ca -0.10 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1u0k n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0k n ARG 203 N -1.35 -3.36 -4.46 1.61 1.74 0.32 -4.78 116.66 106.37 1u0k n ARG 203 Ca 0.11 0.42 -0.22 0.00 -0.77 0.00 0.00 57.85 57.40 1u0k n ARG 203 Cb 0.26 -4.56 -0.14 0.00 -1.02 0.00 0.00 32.46 27.00 1u0k n ARG 203 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1u0k s GLU 204 N -6.50 1.07 0.19 5.56 2.12 -0.95 -0.98 118.70 119.21 1u0k s GLU 204 Ca 0.01 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.60 1u0k s GLU 204 Cb -0.00 -1.09 -0.05 0.00 0.26 0.00 0.00 34.13 33.25 1u0k s GLU 204 CO 0.88 0.28 0.05 0.20 -0.54 0.00 0.00 175.26 176.12 1u0k s GLY 205 N -1.01 1.36 -0.02 -1.50 0.00 -0.83 -0.86 107.32 104.46 1u0k s GLY 205 Ca 0.03 -1.67 -0.02 0.00 0.00 0.00 0.00 44.72 43.07 1u0k s GLY 205 CO 0.01 -1.52 0.06 0.50 0.00 0.00 0.00 173.10 172.15 1u0k s ARG 206 N -3.99 0.07 0.01 2.90 0.52 -0.39 -4.53 118.95 113.54 1u0k s ARG 206 Ca 0.29 0.09 -0.23 0.00 -0.52 0.00 0.00 55.73 55.36 1u0k s ARG 206 Cb 0.07 0.03 0.05 0.00 0.52 0.00 0.00 34.95 35.62 1u0k s ARG 206 CO 0.07 -0.01 0.52 -0.08 0.02 0.00 0.00 175.30 175.82 1u0k s THR 207 N 0.05 0.03 0.32 0.02 -1.32 -1.26 -1.24 115.64 112.24 1u0k s THR 207 Ca -0.00 -0.22 0.03 0.00 -1.21 0.00 0.00 61.69 60.28 1u0k s THR 207 Cb -0.01 -0.92 -0.05 0.00 -1.51 0.00 0.00 72.50 70.01 1u0k s THR 207 CO -0.00 -0.12 0.09 0.26 -2.21 0.00 0.00 174.62 172.63 1u0k s TRP 208 N -1.89 1.79 1.31 9.09 0.51 -1.26 -1.37 118.94 127.12 1u0k s TRP 208 Ca -0.08 -1.10 -0.19 0.00 -2.12 0.00 0.00 56.10 52.61 1u0k s TRP 208 Cb -0.01 -1.13 0.33 0.00 -0.81 0.00 0.00 33.47 31.84 1u0k s TRP 208 CO 0.03 -0.17 0.98 0.16 -0.51 0.00 0.00 176.95 177.44 1u0k s ASP 209 N -3.45 -0.13 0.43 2.95 1.47 -0.50 -4.86 116.67 112.59 1u0k s ASP 209 Ca 0.35 1.04 0.12 0.00 1.18 0.00 0.00 52.55 55.24 1u0k s ASP 209 Cb 0.07 -1.55 0.99 0.00 -0.34 0.00 0.00 42.92 42.10 1u0k s ASP 209 CO 0.15 -4.82 2.02 -1.13 0.68 0.00 0.00 175.17 172.08 1u0k h ASN 210 N -3.05 0.37 0.36 2.11 -0.73 -1.95 -1.87 115.58 110.83 1u0k h ASN 210 Ca -0.50 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.67 1u0k h ASN 210 Cb 1.34 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.84 1u0k h ASN 210 CO 0.37 0.24 -0.22 0.18 -0.37 0.00 0.00 177.43 177.64 1u0k n LEU 211 N -4.48 0.68 -0.60 0.34 4.77 -1.26 -4.78 117.00 111.67 1u0k n LEU 211 Ca 0.06 -0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 55.90 1u0k n LEU 211 Cb 0.23 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1u0k n LEU 211 CO 0.35 0.13 -0.07 0.61 -1.33 0.00 0.00 177.39 177.07 1u0k n GLY 212 N 1.35 0.62 0.13 -0.72 0.00 -0.70 -4.94 105.19 100.93 1u0k n GLY 212 Ca 0.12 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 1u0k n GLY 212 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u0k n LEU 213 N -0.83 2.46 -4.44 0.99 4.77 -1.26 -4.73 117.00 113.96 1u0k n LEU 213 Ca -0.07 0.11 -0.35 0.00 -0.03 0.00 0.00 56.01 55.66 1u0k n LEU 213 Cb 0.34 -0.87 -0.13 0.00 -2.33 0.00 0.00 43.42 40.43 1u0k n LEU 213 CO 0.10 0.75 -0.32 -0.69 -1.33 0.00 0.00 177.39 175.90 1u0k s VAL 214 N -2.51 4.00 0.00 4.08 1.01 -1.26 -5.01 120.40 120.70 1u0k s VAL 214 Ca -0.37 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1u0k s VAL 214 Cb 0.12 -2.82 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1u0k s VAL 214 CO 0.55 0.41 0.52 -0.70 0.00 0.00 0.00 175.10 175.88 1u0k s GLU 215 N 1.19 4.18 0.12 2.72 2.12 -1.26 -1.40 118.70 126.37 1u0k s GLU 215 Ca 0.03 0.61 -0.27 0.00 0.36 0.00 0.00 54.97 55.71 1u0k s GLU 215 Cb -0.14 -3.29 -0.07 0.00 0.26 0.00 0.00 34.13 30.89 1u0k s GLU 215 CO 0.02 0.50 0.84 0.34 -0.54 0.00 0.00 175.26 176.42 1u0k s ASP 216 N -0.59 7.38 0.06 -1.70 2.15 -0.47 -4.97 116.67 118.54 1u0k s ASP 216 Ca 0.28 1.65 -0.20 0.00 0.43 0.00 0.00 52.55 54.71 1u0k s ASP 216 Cb -0.18 -2.52 -0.11 0.00 -0.30 0.00 0.00 42.92 39.81 1u0k s ASP 216 CO 0.16 0.06 1.44 0.58 -0.17 0.00 0.00 175.17 177.25 1u0k h VAL 217 N 3.77 1.29 -1.15 1.11 2.07 -1.94 -3.43 116.25 117.98 1u0k h VAL 217 Ca -0.45 -1.06 0.10 0.00 0.82 0.00 0.00 66.70 66.12 1u0k h VAL 217 Cb 1.21 1.59 -0.21 0.00 -1.52 0.00 0.00 31.29 32.36 1u0k h VAL 217 CO 0.69 0.32 -0.20 0.00 0.02 0.00 0.00 177.57 178.40 1u0k s ALA 218 N -4.71 -2.31 -0.52 1.67 0.00 -1.26 -2.14 121.76 112.50 1u0k s ALA 218 Ca -0.14 1.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.64 1u0k s ALA 218 Cb 0.06 -2.11 0.13 0.00 0.00 0.00 0.00 23.12 21.20 1u0k s ALA 218 CO 0.74 -1.25 0.41 0.99 0.00 0.00 0.00 175.76 176.66 1u0k s THR 219 N 2.86 4.49 0.45 0.00 2.01 -1.26 -4.92 115.64 119.27 1u0k s THR 219 Ca 0.14 -1.85 0.16 0.00 0.31 0.00 0.00 61.69 60.45 1u0k s THR 219 Cb -0.14 -3.92 0.20 0.00 0.01 0.00 0.00 72.50 68.65 1u0k s THR 219 CO -0.20 -0.82 2.01 1.23 -0.69 0.00 0.00 174.62 176.15 1u0k h GLY 220 N 8.41 0.00 2.00 4.40 0.00 -1.94 -1.36 103.07 114.58 1u0k h GLY 220 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1u0k h GLY 220 CO 0.88 0.00 -0.22 1.48 0.00 0.00 0.00 176.54 178.68 1u0k h SER 221 N 0.00 0.00 0.54 0.19 4.64 -1.89 -2.94 113.55 114.09 1u0k h SER 221 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1u0k h SER 221 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1u0k h SER 221 CO 0.02 0.22 -1.56 0.00 -0.87 0.00 0.00 176.83 174.64 1u0k n ALA 222 N -2.20 2.22 -0.32 5.18 0.00 -0.93 -4.41 120.51 120.05 1u0k n ALA 222 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 53.44 52.85 1u0k n ALA 222 Cb 0.46 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 19.14 1u0k n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u0k h ALA 223 N 1.64 1.12 0.81 0.00 0.00 -1.07 -0.45 119.26 121.30 1u0k h ALA 223 Ca -0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1u0k h ALA 223 Cb 1.39 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1u0k h ALA 223 CO 0.02 0.66 -0.39 0.78 0.00 0.00 0.00 179.25 180.33 1u0k h GLY 224 N 1.23 -1.13 -0.04 0.00 0.00 -1.77 -1.25 103.07 100.11 1u0k h GLY 224 Ca 0.30 0.42 0.19 0.00 0.00 0.00 0.00 47.33 48.24 1u0k h GLY 224 CO -0.04 -0.41 0.39 -2.55 0.00 0.00 0.00 176.54 173.93 1u0k h PRO 225 N -1.11 0.45 -0.26 4.80 0.11 -1.75 -0.93 132.00 133.31 1u0k h PRO 225 Ca -0.11 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1u0k h PRO 225 Cb 0.83 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1u0k h PRO 225 CO 0.18 0.30 0.12 0.28 -0.21 0.00 0.00 178.00 178.68 1u0k h VAL 226 N 0.47 1.15 -0.60 3.15 2.07 -1.01 -0.34 116.25 121.14 1u0k h VAL 226 Ca 0.51 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1u0k h VAL 226 Cb 0.89 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1u0k h VAL 226 CO -0.47 0.15 0.39 0.00 0.02 0.00 0.00 177.57 177.67 1u0k h ALA 227 N 0.98 0.77 -0.36 1.67 0.00 -0.41 -0.90 119.26 121.01 1u0k h ALA 227 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1u0k h ALA 227 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1u0k h ALA 227 CO -0.01 0.18 -0.13 0.00 0.00 0.00 0.00 179.25 179.29 1u0k h ALA 228 N 1.23 1.10 0.08 0.00 0.00 -0.97 -2.24 119.26 118.47 1u0k h ALA 228 Ca 0.23 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u0k h ALA 228 Cb -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1u0k h ALA 228 CO -0.06 0.56 -0.04 -0.92 0.00 0.00 0.00 179.25 178.79 1u0k h TYR 229 N 0.58 -0.10 -0.89 0.00 3.20 -0.58 -0.52 116.97 118.65 1u0k h TYR 229 Ca 0.10 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.01 1u0k h TYR 229 Cb 0.56 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 1u0k h TYR 229 CO 0.02 0.18 0.57 -0.07 -1.64 0.00 0.00 178.16 177.23 1u0k h LEU 230 N -0.38 0.94 -0.39 2.82 3.38 -1.07 -1.61 115.31 119.01 1u0k h LEU 230 Ca -0.01 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1u0k h LEU 230 Cb 0.33 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1u0k h LEU 230 CO 0.02 0.64 -0.56 0.58 0.09 0.00 0.00 178.44 179.21 1u0k h VAL 231 N 1.10 1.30 -0.58 1.22 2.07 -1.37 0.33 116.25 120.31 1u0k h VAL 231 Ca 0.36 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 1u0k h VAL 231 Cb 0.04 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1u0k h VAL 231 CO -0.13 0.57 0.18 -0.08 0.02 0.00 0.00 177.57 178.12 1u0k h GLU 232 N 0.56 0.87 -0.61 1.57 4.57 -0.57 -2.84 114.58 118.12 1u0k h GLU 232 Ca 0.01 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1u0k h GLU 232 Cb 1.14 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 1u0k h GLU 232 CO 0.12 0.75 0.00 0.66 -1.18 0.00 0.00 179.01 179.36 1u0k n TYR 233 N -4.29 1.80 -1.71 0.92 4.02 -0.65 -4.93 117.16 112.32 1u0k n TYR 233 Ca 0.04 -0.68 -0.11 0.00 -0.01 0.00 0.00 57.90 57.14 1u0k n TYR 233 Cb 0.21 -0.39 -0.03 0.00 -0.02 0.00 0.00 39.34 39.11 1u0k n TYR 233 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u0k n GLY 234 N 0.85 0.68 0.00 2.72 0.00 -1.07 -4.89 105.19 103.48 1u0k n GLY 234 Ca 0.27 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1u0k n GLY 234 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u0k n LEU 235 N -1.44 0.98 -3.85 0.99 4.77 0.11 -4.93 117.00 113.63 1u0k n LEU 235 Ca -0.12 -0.47 -0.11 0.00 -0.03 0.00 0.00 56.01 55.28 1u0k n LEU 235 Cb 0.47 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1u0k n LEU 235 CO 0.17 0.24 -0.10 0.00 -1.33 0.00 0.00 177.39 176.37 1u0k s ALA 236 N -3.00 -0.36 0.17 -1.18 0.00 -0.86 -4.91 121.76 111.62 1u0k s ALA 236 Ca 0.08 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 1u0k s ALA 236 Cb 0.16 0.26 -0.07 0.00 0.00 0.00 0.00 23.12 23.47 1u0k s ALA 236 CO 0.86 -0.34 0.96 0.00 0.00 0.00 0.00 175.76 177.24 1u0k s ALA 237 N -2.43 3.29 0.36 0.00 0.00 -1.26 -4.21 121.76 117.51 1u0k s ALA 237 Ca -0.06 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.23 1u0k s ALA 237 Cb -0.02 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 1u0k s ALA 237 CO -0.03 0.06 1.30 1.03 0.00 0.00 0.00 175.76 178.12 1u0k s ARG 238 N -0.55 4.22 -0.09 0.00 0.52 -1.26 -3.74 118.95 118.05 1u0k s ARG 238 Ca 0.44 2.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.84 1u0k s ARG 238 Cb -0.25 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1u0k s ARG 238 CO 0.31 -0.29 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1u0k n GLY 239 N 0.74 0.48 3.23 -3.53 0.00 0.18 -5.02 105.19 101.28 1u0k n GLY 239 Ca 0.01 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1u0k n GLY 239 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u0k s GLU 240 N -0.88 1.43 0.06 1.61 2.02 -1.25 -5.03 118.70 116.66 1u0k s GLU 240 Ca 0.00 -0.86 -0.31 0.00 0.02 0.00 0.00 54.97 53.83 1u0k s GLU 240 Cb 0.00 -1.49 -0.06 0.00 0.10 0.00 0.00 34.13 32.69 1u0k s GLU 240 CO 0.00 0.39 1.24 -1.25 0.02 0.00 0.00 175.26 175.66 1u0k s PRO 241 N -0.95 4.40 0.24 0.39 0.04 -1.26 -4.62 135.00 133.24 1u0k s PRO 241 Ca 0.07 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1u0k s PRO 241 Cb -0.08 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1u0k s PRO 241 CO 0.01 -0.31 0.17 -0.59 0.04 0.00 0.00 177.00 176.32 1u0k s PHE 242 N 1.20 1.34 -0.00 0.56 -0.12 -0.98 -5.03 117.98 114.95 1u0k s PHE 242 Ca 0.60 -1.46 0.08 0.00 -0.05 0.00 0.00 56.93 56.10 1u0k s PHE 242 Cb -0.31 -0.62 -0.02 0.00 -0.63 0.00 0.00 43.02 41.45 1u0k s PHE 242 CO 0.29 -0.70 -0.24 0.14 -0.05 0.00 0.00 175.22 174.66 1u0k s VAL 243 N -3.94 1.94 0.11 -2.49 -7.23 -1.26 -1.33 120.40 106.19 1u0k s VAL 243 Ca 0.39 -1.11 0.02 0.00 -1.81 0.00 0.00 61.98 59.47 1u0k s VAL 243 Cb 0.06 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1u0k s VAL 243 CO 0.17 0.48 0.19 -0.76 -0.31 0.00 0.00 175.10 174.87 1u0k s LEU 244 N -0.74 4.14 -0.04 1.32 1.43 -0.07 -4.91 118.68 119.81 1u0k s LEU 244 Ca 0.10 0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1u0k s LEU 244 Cb -0.09 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 1u0k s LEU 244 CO -0.00 0.12 -0.22 -1.00 0.23 0.00 0.00 176.35 175.48 1u0k s HIS 245 N -1.59 2.47 -0.06 0.29 3.76 -0.15 -1.33 115.29 118.68 1u0k s HIS 245 Ca 0.33 -0.42 -0.26 0.00 -0.15 0.00 0.00 55.06 54.56 1u0k s HIS 245 Cb -0.12 -1.57 0.06 0.00 1.11 0.00 0.00 32.58 32.06 1u0k s HIS 245 CO 0.26 -0.02 0.58 -1.14 -0.85 0.00 0.00 174.74 173.57 1u0k s GLN 246 N -0.53 0.92 0.00 1.40 0.74 -1.05 -1.96 119.66 119.18 1u0k s GLN 246 Ca 0.07 0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.69 1u0k s GLN 246 Cb -0.11 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.43 1u0k s GLN 246 CO 0.00 -0.27 0.00 0.41 -0.55 0.00 0.00 175.29 174.89 1u0k n GLY 247 N 1.20 0.51 0.19 2.59 0.00 -0.91 -1.06 105.19 107.72 1u0k n GLY 247 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.87 1u0k n GLY 247 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1u0k h ARG 248 N 3.53 0.00 0.00 1.61 0.11 -1.88 -1.26 114.38 116.50 1u0k h ARG 248 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1u0k h ARG 248 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1u0k h ARG 248 CO 0.00 0.37 0.00 1.19 0.10 0.00 0.00 179.97 181.63 1u0k n PHE 249 N -3.80 0.17 -0.42 4.08 3.01 -1.26 -1.86 117.46 117.37 1u0k n PHE 249 Ca -0.01 0.06 0.10 0.00 1.01 0.00 0.00 57.45 58.61 1u0k n PHE 249 Cb 0.44 -0.59 0.30 0.00 -0.01 0.00 0.00 39.48 39.62 1u0k n PHE 249 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1u0k n LEU 250 N -1.65 3.96 -2.40 4.37 4.77 -0.65 -4.96 117.00 120.45 1u0k n LEU 250 Ca 0.05 -2.14 -0.18 0.00 -0.03 0.00 0.00 56.01 53.70 1u0k n LEU 250 Cb 0.26 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1u0k n LEU 250 CO 0.20 0.89 -0.23 -0.62 -1.33 0.00 0.00 177.39 176.30 1u0k n GLU 251 N 1.24 -1.85 -3.15 3.23 4.71 -0.78 -4.91 120.64 119.13 1u0k n GLU 251 Ca 0.22 0.88 -0.22 0.00 -0.01 0.00 0.00 57.16 58.03 1u0k n GLU 251 Cb 0.66 -5.52 -0.04 0.00 -1.01 0.00 0.00 31.44 25.52 1u0k n GLU 251 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1u0k n ARG 252 N -2.93 1.68 -1.79 3.49 1.74 -0.57 -5.01 116.66 113.28 1u0k n ARG 252 Ca -0.21 -3.88 -0.42 0.00 -0.77 0.00 0.00 57.85 52.57 1u0k n ARG 252 Cb 0.66 -1.82 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 1u0k n ARG 252 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1u0k s PRO 253 N -2.50 4.14 0.04 5.56 0.04 -1.22 -4.24 135.00 136.82 1u0k s PRO 253 Ca 0.42 2.56 0.01 0.00 0.04 0.00 0.00 61.00 64.02 1u0k s PRO 253 Cb 0.28 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 1u0k s PRO 253 CO -0.09 -0.66 -0.05 -1.12 0.04 0.00 0.00 177.00 175.11 1u0k s SER 254 N 0.78 0.61 -0.12 6.66 0.01 -0.22 -4.64 113.70 116.78 1u0k s SER 254 Ca 0.68 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 57.29 1u0k s SER 254 Cb -0.48 0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1u0k s SER 254 CO 0.41 -0.35 -0.22 -0.13 0.41 0.00 0.00 173.24 173.36 1u0k s ARG 255 N -2.29 3.07 -0.22 12.44 0.52 -1.26 -2.55 118.95 128.67 1u0k s ARG 255 Ca -0.06 -0.85 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 1u0k s ARG 255 Cb -0.05 -2.40 0.01 0.00 0.52 0.00 0.00 34.95 33.04 1u0k s ARG 255 CO -0.03 0.10 -0.08 -0.51 0.02 0.00 0.00 175.30 174.79 1u0k s LEU 256 N 0.56 2.83 0.02 2.53 1.02 -0.44 -4.80 118.68 120.39 1u0k s LEU 256 Ca -0.13 -0.62 -0.28 0.00 0.02 0.00 0.00 54.13 53.12 1u0k s LEU 256 Cb -0.17 -1.65 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 1u0k s LEU 256 CO 0.04 -0.05 0.90 -1.81 0.02 0.00 0.00 176.35 175.45 1u0k s ASP 257 N 1.38 7.32 0.06 2.29 1.01 -0.45 -0.89 116.67 127.40 1u0k s ASP 257 Ca 0.04 1.59 0.01 0.00 0.71 0.00 0.00 52.55 54.89 1u0k s ASP 257 Cb -0.15 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1u0k s ASP 257 CO -0.06 -0.16 -0.06 0.68 0.21 0.00 0.00 175.17 175.79 1u0k s VAL 258 N 0.60 0.47 -0.24 -1.27 -7.23 -0.44 -0.74 120.40 111.55 1u0k s VAL 258 Ca 0.47 -1.60 -0.26 0.00 -1.81 0.00 0.00 61.98 58.78 1u0k s VAL 258 Cb -0.21 -1.25 0.08 0.00 0.56 0.00 0.00 36.38 35.57 1u0k s VAL 258 CO 0.26 -0.76 0.77 0.00 -0.31 0.00 0.00 175.10 175.07 1u0k s GLN 259 N -3.09 0.81 -0.16 4.82 -2.07 -0.76 -2.33 119.66 116.88 1u0k s GLN 259 Ca 0.03 0.80 -0.01 0.00 -1.82 0.00 0.00 55.36 54.35 1u0k s GLN 259 Cb 0.01 0.39 -0.01 0.00 -1.09 0.00 0.00 33.01 32.31 1u0k s GLN 259 CO -0.05 -0.13 -0.10 0.08 -1.32 0.00 0.00 175.29 173.77 1u0k s VAL 260 N 0.08 3.19 0.90 3.63 1.01 -1.26 -0.79 120.40 127.16 1u0k s VAL 260 Ca -0.01 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1u0k s VAL 260 Cb -0.04 -2.38 0.20 0.00 0.00 0.00 0.00 36.38 34.16 1u0k s VAL 260 CO 0.01 0.50 1.23 0.00 0.00 0.00 0.00 175.10 176.84 1u0k n ALA 261 N 3.88 -1.03 0.17 5.51 0.00 0.11 -0.64 120.51 128.50 1u0k n ALA 261 Ca -0.18 -1.79 0.02 0.00 0.00 0.00 0.00 53.44 51.48 1u0k n ALA 261 Cb 0.52 0.03 0.29 0.00 0.00 0.00 0.00 19.45 20.30 1u0k n ALA 261 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u0k h THR 262 N -1.43 1.26 0.00 0.00 2.02 -1.96 -2.92 112.91 109.87 1u0k h THR 262 Ca -0.40 -1.62 -0.04 0.00 0.77 0.00 0.00 66.41 65.12 1u0k h THR 262 Cb 1.19 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1u0k h THR 262 CO 0.32 0.45 -0.20 0.44 0.37 0.00 0.00 175.52 176.90 1u0k h ASP 263 N 0.00 0.00 0.00 4.18 3.45 -2.04 -3.46 116.42 118.55 1u0k h ASP 263 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1u0k h ASP 263 Cb 0.86 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.63 1u0k h ASP 263 CO 0.06 0.20 0.00 0.61 -1.57 0.00 0.00 179.24 178.54 1u0k n GLY 264 N -0.44 2.16 3.71 2.75 0.00 -1.10 -4.96 105.19 107.31 1u0k n GLY 264 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1u0k n GLY 264 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u0k n SER 265 N 0.00 3.54 -4.49 1.61 7.64 -1.26 -4.31 113.62 116.35 1u0k n SER 265 Ca 0.00 1.12 -0.34 0.00 1.01 0.00 0.00 58.87 60.66 1u0k n SER 265 Cb 0.00 -1.53 -0.12 0.00 -1.01 0.00 0.00 64.21 61.55 1u0k n SER 265 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1u0k s VAL 266 N 0.38 3.71 -0.08 0.44 0.11 -0.39 -0.72 120.40 123.85 1u0k s VAL 266 Ca 0.70 -0.44 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 1u0k s VAL 266 Cb -0.56 -2.59 -0.02 0.00 -1.53 0.00 0.00 36.38 31.68 1u0k s VAL 266 CO 0.43 0.52 -0.12 -0.13 -3.33 0.00 0.00 175.10 172.48 1u0k s ARG 267 N 0.10 2.89 -0.07 1.54 0.52 0.03 -0.96 118.95 123.00 1u0k s ARG 267 Ca -0.02 -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 1u0k s ARG 267 Cb -0.14 -2.53 -0.00 0.00 0.52 0.00 0.00 34.95 32.80 1u0k s ARG 267 CO 0.03 0.49 -0.22 0.08 0.02 0.00 0.00 175.30 175.70 1u0k s VAL 268 N -0.36 1.82 0.16 3.52 1.01 -1.26 -1.82 120.40 123.47 1u0k s VAL 268 Ca 0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1u0k s VAL 268 Cb -0.12 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1u0k s VAL 268 CO 0.02 0.51 0.17 -0.83 0.00 0.00 0.00 175.10 174.97 1u0k s GLY 269 N 0.11 0.91 -0.13 4.51 0.00 0.08 -4.41 107.32 108.39 1u0k s GLY 269 Ca -0.09 -1.31 -0.34 0.00 0.00 0.00 0.00 44.72 42.98 1u0k s GLY 269 CO 0.05 -1.17 1.32 -0.32 0.00 0.00 0.00 173.10 172.98 1u0k s GLY 270 N -3.05 -0.36 0.44 0.20 0.00 -0.38 -1.34 107.32 102.84 1u0k s GLY 270 Ca 0.25 1.22 -0.22 0.00 0.00 0.00 0.00 44.72 45.98 1u0k s GLY 270 CO 0.04 0.34 1.02 0.30 0.00 0.00 0.00 173.10 174.80 1u0k s HIS 271 N -2.27 3.17 -0.03 1.90 3.76 -1.26 -1.38 115.29 119.19 1u0k s HIS 271 Ca 0.13 1.61 0.01 0.00 -0.15 0.00 0.00 55.06 56.66 1u0k s HIS 271 Cb 0.03 -3.03 0.01 0.00 1.11 0.00 0.00 32.58 30.70 1u0k s HIS 271 CO -0.04 -0.56 -0.05 0.08 -0.85 0.00 0.00 174.74 173.31 1u0k s VAL 272 N -1.92 0.52 0.02 -0.90 1.01 0.23 -0.39 120.40 118.98 1u0k s VAL 272 Ca 0.63 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.50 1u0k s VAL 272 Cb -0.16 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1u0k s VAL 272 CO 0.21 0.20 -0.17 -1.10 0.00 0.00 0.00 175.10 174.23 1u0k s GLN 273 N 0.53 2.16 -0.24 2.72 -1.52 -0.34 -1.26 119.66 121.71 1u0k s GLN 273 Ca -0.07 -0.93 -0.10 0.00 -1.95 0.00 0.00 55.36 52.32 1u0k s GLN 273 Cb -0.10 -2.23 -0.04 0.00 -0.22 0.00 0.00 33.01 30.42 1u0k s GLN 273 CO 0.00 0.56 0.13 -0.51 -0.25 0.00 0.00 175.29 175.22 1u0k s LEU 274 N -1.31 3.93 -0.19 2.90 1.02 -1.26 -1.01 118.68 122.75 1u0k s LEU 274 Ca 0.14 0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.35 1u0k s LEU 274 Cb -0.11 -2.05 -0.14 0.00 0.02 0.00 0.00 46.19 43.91 1u0k s LEU 274 CO 0.05 0.05 -0.14 0.18 0.02 0.00 0.00 176.35 176.50 1u0k n LEU 275 N 4.41 2.58 -3.63 1.79 4.32 0.17 -5.00 117.00 121.64 1u0k n LEU 275 Ca -0.15 -0.09 -0.15 0.00 -0.02 0.00 0.00 56.01 55.59 1u0k n LEU 275 Cb 0.52 -0.55 -0.07 0.00 -1.62 0.00 0.00 43.42 41.70 1u0k n LEU 275 CO 0.34 0.77 0.28 0.00 -1.22 0.00 0.00 177.39 177.56 1u0k s ALA 276 N -2.39 -1.40 -0.18 -1.18 0.00 -1.09 -4.98 121.76 110.53 1u0k s ALA 276 Ca -0.24 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 1u0k s ALA 276 Cb 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1u0k s ALA 276 CO 0.48 -0.31 -0.14 0.50 0.00 0.00 0.00 175.76 176.29 1u0k s ARG 277 N -0.81 3.19 -0.11 0.00 3.52 -1.26 -1.44 118.95 122.04 1u0k s ARG 277 Ca -0.09 -0.74 0.01 0.00 -0.13 0.00 0.00 55.73 54.78 1u0k s ARG 277 Cb -0.03 -2.71 -0.02 0.00 -1.56 0.00 0.00 34.95 30.64 1u0k s ARG 277 CO 0.06 -0.10 -0.14 0.00 -0.81 0.00 0.00 175.30 174.31 1u0k s ALA 278 N 1.12 2.61 -0.20 6.12 0.00 0.28 -5.01 121.76 126.68 1u0k s ALA 278 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1u0k s ALA 278 Cb -0.14 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1u0k s ALA 278 CO -0.05 0.31 0.27 -1.21 0.00 0.00 0.00 175.76 175.08 1u0k s GLU 279 N 0.16 4.18 0.19 0.00 0.41 -1.26 -1.64 118.70 120.75 1u0k s GLU 279 Ca -0.07 0.00 -0.30 0.00 -0.41 0.00 0.00 54.97 54.19 1u0k s GLU 279 Cb -0.15 -3.48 -0.08 0.00 -1.78 0.00 0.00 34.13 28.64 1u0k s GLU 279 CO 0.05 0.12 1.06 -0.51 -0.49 0.00 0.00 175.26 175.50 1u0k s LEU 280 N 0.84 4.52 0.00 1.80 1.43 -0.38 -4.94 118.68 121.95 1u0k s LEU 280 Ca 0.14 2.07 0.12 0.00 -1.03 0.00 0.00 54.13 55.43 1u0k s LEU 280 Cb -0.13 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1u0k s LEU 280 CO 0.04 -0.14 0.66 0.18 0.23 0.00 0.00 176.35 177.32 1u0k n LEU 281 N 2.12 1.19 -5.00 1.79 4.77 -1.26 -4.71 117.00 115.89 1u0k n LEU 281 Ca 0.01 -0.71 -0.23 0.00 -0.03 0.00 0.00 56.01 55.05 1u0k n LEU 281 Cb 0.46 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.65 1u0k n LEU 281 CO 0.53 0.24 0.51 0.42 -1.33 0.00 0.00 177.39 177.76 1u0k s THR 282 N -1.64 2.13 0.40 -5.08 -4.23 -1.26 -5.07 115.64 100.89 1u0k s THR 282 Ca 0.09 -0.69 -0.23 0.00 -1.18 0.00 0.00 61.69 59.68 1u0k s THR 282 Cb 0.09 -2.44 -0.10 0.00 1.34 0.00 0.00 72.50 71.40 1u0k s THR 282 CO 0.34 0.00 1.00 -0.94 -0.54 0.00 0.00 174.62 174.48 1u0k s SER 283 N -4.73 6.86 0.00 3.99 1.04 -1.26 -5.09 113.70 114.50 1u0k s SER 283 Ca 0.65 1.90 0.28 0.00 0.48 0.00 0.00 55.95 59.27 1u0k s SER 283 Cb -0.05 -2.57 1.67 0.00 0.10 0.00 0.00 66.02 65.17 1u0k s SER 283 CO 0.43 -0.42 2.02 0.00 0.98 0.00 0.00 173.24 176.25