#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k7k n SER -10 N 0.00 -1.59 -3.60 4.04 3.41 -1.26 -4.96 113.62 109.66 1k7k n SER -10 Ca 0.00 0.36 -0.16 0.00 -0.26 0.00 0.00 58.87 58.81 1k7k n SER -10 Cb 0.00 -0.42 0.09 0.00 -0.26 0.00 0.00 64.21 63.62 1k7k n SER -10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k7k n GLY -9 N 1.18 0.31 3.73 5.00 0.00 -1.26 -5.00 105.19 109.14 1k7k n GLY -9 Ca 0.05 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 1k7k n GLY -9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k7k s ARG -8 N -4.31 1.81 0.00 1.61 1.81 -1.26 -4.29 118.95 114.31 1k7k s ARG -8 Ca 0.45 1.38 0.00 0.00 -1.72 0.00 0.00 55.73 55.84 1k7k s ARG -8 Cb -0.02 -1.83 0.00 0.00 -0.45 0.00 0.00 34.95 32.65 1k7k s ARG -8 CO 0.30 -2.02 0.00 -0.85 -0.68 0.00 0.00 175.30 172.05 1k7k n GLU -7 N -3.65 0.00 0.08 3.54 -0.00 -1.26 -4.97 120.64 114.38 1k7k n GLU -7 Ca 0.11 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.38 1k7k n GLU -7 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.94 1k7k n GLU -7 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1k7k n ASN -6 N 0.00 0.69 -4.12 -1.84 3.02 -1.26 -4.91 115.26 106.85 1k7k n ASN -6 Ca 0.00 0.24 -0.20 0.00 -0.03 0.00 0.00 54.58 54.59 1k7k n ASN -6 Cb 0.00 0.71 -0.14 0.00 -0.61 0.00 0.00 39.78 39.74 1k7k n ASN -6 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k7k s LEU -5 N -5.10 2.13 0.33 3.41 1.02 -1.26 -4.99 118.68 114.21 1k7k s LEU -5 Ca -0.01 -0.39 -0.29 0.00 0.02 0.00 0.00 54.13 53.46 1k7k s LEU -5 Cb 0.11 -0.58 -0.10 0.00 0.02 0.00 0.00 46.19 45.63 1k7k s LEU -5 CO 0.81 0.05 1.38 -0.31 0.02 0.00 0.00 176.35 178.30 1k7k s TYR -4 N -0.71 2.93 -1.23 0.29 2.02 -1.25 -5.04 117.35 114.37 1k7k s TYR -4 Ca 0.02 1.28 0.14 0.00 -0.37 0.00 0.00 57.07 58.13 1k7k s TYR -4 Cb -0.07 -3.79 0.36 0.00 -0.40 0.00 0.00 41.96 38.06 1k7k s TYR -4 CO 0.01 -2.30 1.29 1.97 -1.57 0.00 0.00 175.55 174.95 1k7k n PHE -3 N 1.01 0.53 -2.89 2.71 -1.74 -1.26 -4.93 117.46 110.90 1k7k n PHE -3 Ca 0.02 -0.45 -0.12 0.00 -0.56 0.00 0.00 57.45 56.33 1k7k n PHE -3 Cb 0.41 -0.02 0.04 0.00 1.52 0.00 0.00 39.48 41.43 1k7k n PHE -3 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 1k7k n HIS 0 N 0.78 -0.96 -3.68 2.97 8.25 -1.26 -5.26 115.22 116.06 1k7k n HIS 0 Ca 0.14 -2.86 -0.12 0.00 -0.26 0.00 0.00 57.72 54.62 1k7k n HIS 0 Cb 0.46 0.50 -0.12 0.00 1.12 0.00 0.00 29.99 31.95 1k7k n HIS 0 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1k7k s GLN 2 N -1.36 0.22 0.16 -0.41 -2.07 -0.40 -4.94 119.66 110.86 1k7k s GLN 2 Ca 0.30 0.75 -0.30 0.00 -1.82 0.00 0.00 55.36 54.29 1k7k s GLN 2 Cb 0.36 0.01 -0.07 0.00 -1.09 0.00 0.00 33.01 32.21 1k7k s GLN 2 CO -0.05 -0.23 1.09 0.21 -1.32 0.00 0.00 175.29 174.99 1k7k s LYS 3 N 2.05 4.59 -0.03 9.60 2.20 -1.26 -1.13 119.74 135.75 1k7k s LYS 3 Ca -0.03 1.69 0.02 0.00 -0.36 0.00 0.00 55.97 57.29 1k7k s LYS 3 Cb -0.11 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 32.92 1k7k s LYS 3 CO -0.10 0.05 -0.08 0.08 -0.36 0.00 0.00 175.35 174.95 1k7k s VAL 4 N -0.07 0.73 -0.05 4.02 1.01 -0.15 -4.34 120.40 121.56 1k7k s VAL 4 Ca 0.50 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 1k7k s VAL 4 Cb -0.29 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1k7k s VAL 4 CO 0.34 0.24 0.51 0.54 0.00 0.00 0.00 175.10 176.73 1k7k s VAL 5 N 0.40 5.04 -0.21 2.92 0.11 -0.46 -0.97 120.40 127.22 1k7k s VAL 5 Ca -0.06 1.05 -0.10 0.00 -2.93 0.00 0.00 61.98 59.94 1k7k s VAL 5 Cb -0.10 -3.84 -0.05 0.00 -1.53 0.00 0.00 36.38 30.86 1k7k s VAL 5 CO 0.01 0.42 0.13 -0.22 -3.33 0.00 0.00 175.10 172.10 1k7k s LEU 6 N -0.06 4.10 -1.47 2.54 2.96 0.16 -0.97 118.68 125.95 1k7k s LEU 6 Ca 0.28 0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 54.20 1k7k s LEU 6 Cb -0.17 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.46 1k7k s LEU 6 CO 0.14 0.13 2.34 0.00 -1.32 0.00 0.00 176.35 177.64 1k7k n ALA 7 N 3.85 5.81 -3.70 5.97 0.00 -0.13 -1.68 120.51 130.63 1k7k n ALA 7 Ca -0.16 -3.80 -0.05 0.00 0.00 0.00 0.00 53.44 49.43 1k7k n ALA 7 Cb 0.52 -3.51 -0.02 0.00 0.00 0.00 0.00 19.45 16.44 1k7k n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1k7k s THR 8 N 3.09 0.00 -0.76 0.00 -1.32 -1.26 -4.81 115.64 110.58 1k7k s THR 8 Ca 0.51 -0.56 0.07 0.00 -1.21 0.00 0.00 61.69 60.50 1k7k s THR 8 Cb 0.15 -1.75 0.11 0.00 -1.51 0.00 0.00 72.50 69.49 1k7k s THR 8 CO -0.08 0.00 0.89 0.61 -2.21 0.00 0.00 174.62 173.83 1k7k n GLY 9 N -0.42 0.65 3.56 6.08 0.00 -1.26 -2.15 105.19 111.64 1k7k n GLY 9 Ca -0.07 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1k7k n GLY 9 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k7k s ASN 10 N -0.74 5.91 0.29 1.61 3.04 -1.26 -4.88 114.94 118.91 1k7k s ASN 10 Ca 0.11 -0.90 0.01 0.00 0.04 0.00 0.00 52.86 52.12 1k7k s ASN 10 Cb 0.06 -2.56 0.70 0.00 -1.54 0.00 0.00 41.25 37.91 1k7k s ASN 10 CO 0.09 -2.02 1.61 0.58 -3.04 0.00 0.00 177.10 174.32 1k7k h VAL 11 N 6.84 0.19 -0.86 -5.21 2.07 -1.98 0.34 116.25 117.64 1k7k h VAL 11 Ca 0.06 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1k7k h VAL 11 Cb 1.03 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1k7k h VAL 11 CO 1.32 0.02 0.57 1.23 0.02 0.00 0.00 177.57 180.73 1k7k h GLY 12 N 0.10 1.21 1.44 2.17 0.00 -1.98 0.20 103.07 106.21 1k7k h GLY 12 Ca 0.56 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 47.33 1k7k h GLY 12 CO -0.77 0.44 -0.25 0.50 0.00 0.00 0.00 176.54 176.46 1k7k h LYS 13 N 1.16 0.64 -0.04 4.80 1.57 -0.77 0.47 116.57 124.39 1k7k h LYS 13 Ca 0.32 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1k7k h LYS 13 Cb -0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1k7k h LYS 13 CO -0.07 0.83 -0.01 0.28 -0.57 0.00 0.00 179.45 179.91 1k7k h VAL 14 N 0.56 1.30 -0.89 0.50 2.07 -0.94 -0.05 116.25 118.81 1k7k h VAL 14 Ca 0.08 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1k7k h VAL 14 Cb 0.72 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 1k7k h VAL 14 CO 0.06 0.25 0.58 0.03 0.02 0.00 0.00 177.57 178.51 1k7k h ARG 15 N -0.28 1.01 -0.29 1.57 3.08 -0.41 0.43 114.38 119.49 1k7k h ARG 15 Ca 0.01 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1k7k h ARG 15 Cb 0.41 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1k7k h ARG 15 CO 0.00 0.67 0.11 1.49 -1.07 0.00 0.00 179.97 181.17 1k7k h GLU 16 N 1.04 0.43 0.09 0.04 4.81 0.26 -1.41 114.58 119.83 1k7k h GLU 16 Ca 0.38 -0.08 -0.25 0.00 -0.13 0.00 0.00 59.36 59.28 1k7k h GLU 16 Cb 0.16 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1k7k h GLU 16 CO -0.13 0.45 -1.15 1.25 -0.73 0.00 0.00 179.01 178.70 1k7k h LEU 17 N 0.31 0.35 -0.39 1.64 5.85 -0.67 -2.88 115.31 119.51 1k7k h LEU 17 Ca 0.09 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1k7k h LEU 17 Cb 0.18 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1k7k h LEU 17 CO -0.01 1.25 0.20 0.00 -0.34 0.00 0.00 178.44 179.54 1k7k h ALA 18 N 0.70 0.50 -0.61 1.25 0.00 -0.04 0.85 119.26 121.91 1k7k h ALA 18 Ca -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1k7k h ALA 18 Cb 1.87 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1k7k h ALA 18 CO 0.18 0.05 0.32 1.03 0.00 0.00 0.00 179.25 180.83 1k7k h SER 19 N 0.49 0.77 -0.63 0.00 0.87 -1.32 -1.30 113.55 112.43 1k7k h SER 19 Ca 0.13 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1k7k h SER 19 Cb 0.10 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1k7k h SER 19 CO -0.02 0.66 0.23 0.25 -0.53 0.00 0.00 176.83 177.42 1k7k h LEU 20 N 0.83 0.89 -0.79 2.23 5.85 -1.11 -3.25 115.31 119.96 1k7k h LEU 20 Ca 0.21 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1k7k h LEU 20 Cb 0.07 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1k7k h LEU 20 CO -0.03 0.84 -0.46 0.18 -0.34 0.00 0.00 178.44 178.63 1k7k n LEU 21 N -4.41 1.69 0.27 2.25 4.77 0.21 -4.21 117.00 117.58 1k7k n LEU 21 Ca 0.04 -0.61 0.11 0.00 -0.03 0.00 0.00 56.01 55.52 1k7k n LEU 21 Cb 0.19 -0.03 0.73 0.00 -2.33 0.00 0.00 43.42 41.98 1k7k n LEU 21 CO 0.40 0.32 1.06 0.28 -1.33 0.00 0.00 177.39 178.12 1k7k h SER 22 N 1.94 0.00 -0.58 -1.43 0.02 -1.27 -1.59 113.55 110.63 1k7k h SER 22 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1k7k h SER 22 Cb 0.67 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1k7k h SER 22 CO 0.00 0.04 0.19 0.44 -1.14 0.00 0.00 176.83 176.35 1k7k h ASP 23 N 0.00 0.87 -0.16 3.07 5.19 -1.78 -1.83 116.42 121.78 1k7k h ASP 23 Ca -0.00 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1k7k h ASP 23 Cb 0.07 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.36 1k7k h ASP 23 CO 0.00 0.82 0.00 0.49 -3.12 0.00 0.00 179.24 177.44 1k7k n PHE 24 N -4.28 0.22 -1.03 4.55 0.99 -0.64 -4.87 117.46 112.41 1k7k n PHE 24 Ca 0.05 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.45 57.38 1k7k n PHE 24 Cb 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.69 1k7k n PHE 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1k7k n GLY 25 N 0.79 0.47 3.70 1.37 0.00 -0.69 -3.81 105.19 107.01 1k7k n GLY 25 Ca 0.06 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 1k7k n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k7k s LEU 26 N -0.21 4.20 -0.52 0.99 1.43 -0.96 -1.28 118.68 122.32 1k7k s LEU 26 Ca 0.00 0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.45 1k7k s LEU 26 Cb 0.00 -2.38 0.13 0.00 0.03 0.00 0.00 46.19 43.97 1k7k s LEU 26 CO 0.00 0.04 0.41 -0.62 0.23 0.00 0.00 176.35 176.41 1k7k s ASP 27 N 0.73 5.84 -0.14 2.29 2.15 -0.28 -3.66 116.67 123.60 1k7k s ASP 27 Ca 0.16 -2.04 -0.26 0.00 0.43 0.00 0.00 52.55 50.85 1k7k s ASP 27 Cb -0.14 -2.05 -0.02 0.00 -0.30 0.00 0.00 42.92 40.42 1k7k s ASP 27 CO 0.05 -0.69 0.85 -0.63 -0.17 0.00 0.00 175.17 174.59 1k7k s ILE 28 N 1.18 4.88 -0.01 4.11 -1.09 -1.26 -0.98 121.20 128.05 1k7k s ILE 28 Ca 0.07 1.69 0.05 0.00 -2.23 0.00 0.00 60.65 60.23 1k7k s ILE 28 Cb -0.25 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.46 1k7k s ILE 28 CO -0.01 0.05 -0.15 0.68 -1.23 0.00 0.00 174.94 174.28 1k7k s VAL 29 N 1.95 1.21 0.38 2.92 -7.23 -0.15 -4.83 120.40 114.66 1k7k s VAL 29 Ca 0.40 -0.70 -0.27 0.00 -1.81 0.00 0.00 61.98 59.60 1k7k s VAL 29 Cb -0.17 -1.01 -0.09 0.00 0.56 0.00 0.00 36.38 35.66 1k7k s VAL 29 CO 0.14 0.30 1.32 0.00 -0.31 0.00 0.00 175.10 176.56 1k7k s ALA 30 N -0.41 3.36 0.42 1.32 0.00 -1.26 -0.66 121.76 124.52 1k7k s ALA 30 Ca 0.06 1.28 0.12 0.00 0.00 0.00 0.00 51.96 53.42 1k7k s ALA 30 Cb -0.06 -3.50 0.89 0.00 0.00 0.00 0.00 23.12 20.45 1k7k s ALA 30 CO -0.00 -0.80 1.94 -0.56 0.00 0.00 0.00 175.76 176.34 1k7k h GLN 31 N 2.91 0.08 -0.65 0.00 3.07 -0.79 -1.96 115.11 117.77 1k7k h GLN 31 Ca -0.50 -0.02 -0.08 0.00 0.09 0.00 0.00 58.65 58.15 1k7k h GLN 31 Cb 1.24 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 28.76 1k7k h GLN 31 CO 0.64 0.27 0.09 1.79 0.09 0.00 0.00 178.83 181.71 1k7k h THR 32 N 0.08 1.26 -0.88 1.86 1.35 -1.75 -1.12 112.91 113.71 1k7k h THR 32 Ca 0.01 -1.05 0.11 0.00 -0.55 0.00 0.00 66.41 64.94 1k7k h THR 32 Cb 0.39 0.67 -0.07 0.00 -1.73 0.00 0.00 68.15 67.41 1k7k h THR 32 CO 0.03 0.39 0.57 0.44 -0.25 0.00 0.00 175.52 176.69 1k7k h ASP 33 N 1.00 0.73 -0.24 5.36 5.19 -1.69 -1.12 116.42 125.65 1k7k h ASP 33 Ca 0.20 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1k7k h ASP 33 Cb 0.45 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1k7k h ASP 33 CO 0.02 0.41 0.00 0.18 -3.12 0.00 0.00 179.24 176.72 1k7k n LEU 34 N -4.54 1.53 -0.28 1.55 4.32 -0.86 -4.94 117.00 113.78 1k7k n LEU 34 Ca 0.16 -0.73 -0.03 0.00 -0.02 0.00 0.00 56.01 55.39 1k7k n LEU 34 Cb 0.37 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 42.00 1k7k n LEU 34 CO 0.30 0.36 -0.03 0.61 -1.22 0.00 0.00 177.39 177.41 1k7k n GLY 35 N 1.01 0.59 3.73 -0.72 0.00 -0.42 -5.00 105.19 104.38 1k7k n GLY 35 Ca 0.12 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 1k7k n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k7k s VAL 36 N -2.13 4.93 0.32 1.61 1.01 -0.48 -5.00 120.40 120.66 1k7k s VAL 36 Ca 0.00 1.58 -0.10 0.00 0.00 0.00 0.00 61.98 63.46 1k7k s VAL 36 Cb 0.00 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1k7k s VAL 36 CO 0.00 0.28 0.67 -1.81 0.00 0.00 0.00 175.10 174.24 1k7k s ASP 37 N 0.56 6.58 0.41 3.32 1.01 -1.26 -4.30 116.67 122.98 1k7k s ASP 37 Ca 0.40 1.03 -0.27 0.00 0.71 0.00 0.00 52.55 54.42 1k7k s ASP 37 Cb -0.19 -2.28 -0.10 0.00 1.01 0.00 0.00 42.92 41.37 1k7k s ASP 37 CO 0.21 -0.24 1.41 -1.20 0.21 0.00 0.00 175.17 175.56 1k7k n SER 38 N -0.77 3.32 -4.80 0.27 7.64 -1.26 -4.98 113.62 113.04 1k7k n SER 38 Ca 0.01 1.17 -0.33 0.00 1.01 0.00 0.00 58.87 60.73 1k7k n SER 38 Cb 0.53 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1k7k n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k7k s ALA 39 N -1.16 2.75 -0.13 -0.43 0.00 -1.26 -5.01 121.76 116.52 1k7k s ALA 39 Ca 0.58 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 1k7k s ALA 39 Cb -0.48 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 1k7k s ALA 39 CO 0.60 -0.73 1.33 -2.00 0.00 0.00 0.00 175.76 174.96 1k7k s GLU 40 N -3.83 4.24 -1.00 0.00 2.56 -1.26 -4.96 118.70 114.44 1k7k s GLU 40 Ca 0.65 1.76 -0.20 0.00 0.00 0.00 0.00 54.97 57.19 1k7k s GLU 40 Cb -0.17 -3.77 0.10 0.00 2.00 0.00 0.00 34.13 32.29 1k7k s GLU 40 CO 0.33 -0.70 1.30 -1.21 -0.56 0.00 0.00 175.26 174.42 1k7k s GLU 41 N 3.41 3.66 0.00 4.30 2.02 -1.26 -4.79 118.70 126.03 1k7k s GLU 41 Ca 0.58 -1.62 0.22 0.00 0.02 0.00 0.00 54.97 54.18 1k7k s GLU 41 Cb -0.24 -5.12 0.02 0.00 0.10 0.00 0.00 34.13 28.89 1k7k s GLU 41 CO 0.18 -1.95 1.08 2.41 0.02 0.00 0.00 175.26 177.00 1k7k n THR 42 N 5.96 0.00 -1.52 3.63 -1.04 -1.26 -4.97 114.28 115.09 1k7k n THR 42 Ca 0.30 -0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.96 1k7k n THR 42 Cb 0.49 0.81 0.07 0.00 -1.82 0.00 0.00 70.33 69.88 1k7k n THR 42 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1k7k s GLY 43 N -2.93 1.93 0.00 3.41 0.00 -1.26 -4.94 107.32 103.52 1k7k s GLY 43 Ca 0.10 0.42 0.18 0.00 0.00 0.00 0.00 44.72 45.42 1k7k s GLY 43 CO 0.78 0.77 1.18 1.04 0.00 0.00 0.00 173.10 176.88 1k7k n LEU 44 N -2.94 2.83 -4.10 0.66 4.77 -1.26 -4.81 117.00 112.15 1k7k n LEU 44 Ca 0.10 -1.35 -0.08 0.00 -0.03 0.00 0.00 56.01 54.65 1k7k n LEU 44 Cb 0.52 -0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1k7k n LEU 44 CO 0.50 0.59 -0.37 0.42 -1.33 0.00 0.00 177.39 177.20 1k7k s THR 45 N -1.31 0.34 0.21 -5.08 -4.23 -1.26 -4.83 115.64 99.47 1k7k s THR 45 Ca 0.26 -1.72 -0.10 0.00 -1.18 0.00 0.00 61.69 58.96 1k7k s THR 45 Cb 0.16 -1.39 0.14 0.00 1.34 0.00 0.00 72.50 72.75 1k7k s THR 45 CO 0.23 -0.89 1.82 -0.26 -0.54 0.00 0.00 174.62 174.98 1k7k h PHE 46 N 3.31 0.73 0.02 3.99 0.04 -1.91 -1.95 116.94 121.17 1k7k h PHE 46 Ca -0.34 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.45 1k7k h PHE 46 Cb 1.16 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1k7k h PHE 46 CO 0.56 0.37 -0.01 0.82 -0.60 0.00 0.00 178.31 179.45 1k7k h ILE 47 N 0.74 1.00 -0.90 -0.55 2.04 -1.91 -0.26 117.51 117.67 1k7k h ILE 47 Ca 0.29 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 66.16 1k7k h ILE 47 Cb 0.13 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1k7k h ILE 47 CO -0.16 0.01 0.58 -0.33 0.00 0.00 0.00 178.15 178.26 1k7k h GLU 48 N -0.05 1.00 -0.54 2.37 5.08 -1.91 -1.26 114.58 119.27 1k7k h GLU 48 Ca -0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1k7k h GLU 48 Cb 0.04 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1k7k h GLU 48 CO 0.00 0.66 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.70 1k7k h ASN 49 N 1.03 0.99 -0.36 1.42 2.35 -0.99 -1.52 115.58 118.49 1k7k h ASN 49 Ca 0.38 -0.33 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1k7k h ASN 49 Cb 0.18 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1k7k h ASN 49 CO -0.14 1.09 0.08 0.00 -1.65 0.00 0.00 177.43 176.81 1k7k h ALA 50 N 0.93 0.47 -0.60 -0.83 0.00 -0.72 -1.35 119.26 117.16 1k7k h ALA 50 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1k7k h ALA 50 Cb 0.62 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1k7k h ALA 50 CO 0.04 0.15 0.29 0.82 0.00 0.00 0.00 179.25 180.55 1k7k h ILE 51 N 0.43 1.21 -0.78 0.00 2.04 -1.13 -0.93 117.51 118.35 1k7k h ILE 51 Ca 0.11 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1k7k h ILE 51 Cb 0.31 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1k7k h ILE 51 CO 0.00 0.24 0.45 -0.07 0.00 0.00 0.00 178.15 178.77 1k7k h LEU 52 N 0.82 0.95 -0.25 1.44 3.38 -0.95 0.14 115.31 120.84 1k7k h LEU 52 Ca 0.21 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1k7k h LEU 52 Cb 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1k7k h LEU 52 CO -0.03 0.75 -0.41 0.11 0.09 0.00 0.00 178.44 178.96 1k7k h LYS 53 N 1.08 0.71 -0.52 1.13 1.57 -1.05 -1.48 116.57 118.01 1k7k h LYS 53 Ca 0.28 -0.43 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1k7k h LYS 53 Cb -0.01 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1k7k h LYS 53 CO -0.05 1.06 0.15 0.00 -0.57 0.00 0.00 179.45 180.04 1k7k h ALA 54 N 0.65 0.68 -0.59 3.86 0.00 -0.86 -2.37 119.26 120.61 1k7k h ALA 54 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1k7k h ALA 54 Cb 1.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1k7k h ALA 54 CO 0.09 0.35 0.38 -0.09 0.00 0.00 0.00 179.25 179.98 1k7k h ARG 55 N 0.71 0.79 -0.46 0.00 2.43 -0.57 -0.64 114.38 116.65 1k7k h ARG 55 Ca 0.17 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1k7k h ARG 55 Cb 0.29 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1k7k h ARG 55 CO -0.00 0.54 0.10 1.25 -1.51 0.00 0.00 179.97 180.34 1k7k h HIS 56 N 0.80 0.78 -0.34 2.20 2.76 -1.14 0.03 115.15 120.24 1k7k h HIS 56 Ca 0.22 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1k7k h HIS 56 Cb -0.07 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 1k7k h HIS 56 CO -0.03 0.73 0.19 0.00 -1.30 0.00 0.00 177.93 177.52 1k7k h ALA 57 N 0.96 0.44 -0.69 5.26 0.00 -1.21 -1.95 119.26 122.07 1k7k h ALA 57 Ca 0.14 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1k7k h ALA 57 Cb 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1k7k h ALA 57 CO 0.00 -0.04 0.45 0.00 0.00 0.00 0.00 179.25 179.66 1k7k h ALA 58 N 1.06 0.88 -0.30 0.00 0.00 -0.94 -2.15 119.26 117.80 1k7k h ALA 58 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1k7k h ALA 58 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1k7k h ALA 58 CO -0.02 0.27 0.10 -0.22 0.00 0.00 0.00 179.25 179.38 1k7k h LYS 59 N 0.91 0.46 0.00 0.00 1.63 -0.74 0.68 116.57 119.52 1k7k h LYS 59 Ca 0.26 -0.10 -0.10 0.00 -0.85 0.00 0.00 60.65 59.87 1k7k h LYS 59 Cb -0.07 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 1k7k h LYS 59 CO -0.07 0.50 -0.46 0.28 -3.45 0.00 0.00 179.45 176.25 1k7k h VAL 60 N 0.33 1.02 0.00 2.00 2.07 -1.26 -3.32 116.25 117.09 1k7k h VAL 60 Ca 0.10 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1k7k h VAL 60 Cb 0.23 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1k7k h VAL 60 CO -0.00 0.45 -1.04 0.35 0.02 0.00 0.00 177.57 177.35 1k7k n THR 61 N -3.53 0.00 -1.86 2.57 -2.24 -0.82 -4.99 114.28 103.41 1k7k n THR 61 Ca -0.00 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 1k7k n THR 61 Cb 0.57 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 1k7k n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k7k n ALA 62 N -1.58 -0.41 -2.62 6.98 0.00 0.23 -5.01 120.51 118.09 1k7k n ALA 62 Ca 0.01 0.29 -0.26 0.00 0.00 0.00 0.00 53.44 53.48 1k7k n ALA 62 Cb 0.28 -2.11 -0.08 0.00 0.00 0.00 0.00 19.45 17.54 1k7k n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k7k s LEU 63 N -5.17 3.15 0.65 0.00 1.43 -1.23 -5.06 118.68 112.45 1k7k s LEU 63 Ca 0.00 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.39 1k7k s LEU 63 Cb 0.00 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1k7k s LEU 63 CO 0.00 0.07 1.25 -2.84 0.23 0.00 0.00 176.35 175.06 1k7k s PRO 64 N -3.09 2.56 0.03 1.29 0.02 -1.25 -4.30 135.00 130.25 1k7k s PRO 64 Ca 0.27 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.25 1k7k s PRO 64 Cb -0.08 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1k7k s PRO 64 CO 0.18 -1.56 -0.07 0.00 -0.33 0.00 0.00 177.00 175.22 1k7k s ALA 65 N -1.57 0.50 0.01 -1.55 0.00 -0.32 -1.35 121.76 117.48 1k7k s ALA 65 Ca 0.80 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.27 1k7k s ALA 65 Cb -0.34 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1k7k s ALA 65 CO 0.39 0.02 -0.25 0.42 0.00 0.00 0.00 175.76 176.34 1k7k s ILE 66 N -0.95 2.19 0.15 0.00 1.01 -0.15 -0.73 121.20 122.73 1k7k s ILE 66 Ca -0.06 -1.20 -0.12 0.00 0.00 0.00 0.00 60.65 59.26 1k7k s ILE 66 Cb -0.07 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1k7k s ILE 66 CO 0.00 0.48 0.35 0.00 0.00 0.00 0.00 174.94 175.77 1k7k s ALA 67 N -0.72 -0.45 0.16 9.38 0.00 -0.65 -0.95 121.76 128.53 1k7k s ALA 67 Ca 0.11 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1k7k s ALA 67 Cb -0.10 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1k7k s ALA 67 CO 0.01 -0.66 0.07 0.16 0.00 0.00 0.00 175.76 175.34 1k7k s ASP 68 N -2.90 0.37 -0.06 0.00 -4.77 -1.26 -0.53 116.67 107.52 1k7k s ASP 68 Ca 0.10 -1.26 -0.08 0.00 -3.30 0.00 0.00 52.55 48.01 1k7k s ASP 68 Cb 0.02 0.30 0.02 0.00 -1.09 0.00 0.00 42.92 42.17 1k7k s ASP 68 CO -0.05 -0.75 0.21 -0.62 0.70 0.00 0.00 175.17 174.66 1k7k s ASP 69 N -3.10 -0.18 0.06 2.11 2.15 -0.55 -4.61 116.67 112.55 1k7k s ASP 69 Ca 0.29 0.32 -0.02 0.00 0.43 0.00 0.00 52.55 53.56 1k7k s ASP 69 Cb 0.07 0.40 -0.03 0.00 -0.30 0.00 0.00 42.92 43.05 1k7k s ASP 69 CO 0.05 -0.14 0.01 -0.94 -0.17 0.00 0.00 175.17 173.98 1k7k s SER 70 N -0.20 0.42 0.00 -0.34 1.04 -1.26 -1.16 113.70 112.20 1k7k s SER 70 Ca -0.03 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.43 1k7k s SER 70 Cb -0.03 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1k7k s SER 70 CO 0.01 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1k7k n GLY 71 N 0.07 -1.43 3.45 7.32 0.00 -0.62 -4.91 105.19 109.07 1k7k n GLY 71 Ca -0.13 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 1k7k n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k7k s LEU 72 N 0.00 3.14 -0.18 0.99 2.96 -1.26 -0.96 118.68 123.38 1k7k s LEU 72 Ca 0.00 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1k7k s LEU 72 Cb 0.00 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.94 1k7k s LEU 72 CO 0.00 0.12 -0.18 0.00 -1.32 0.00 0.00 176.35 174.96 1k7k s ALA 73 N 0.66 2.38 -0.22 5.97 0.00 -0.23 -0.47 121.76 129.85 1k7k s ALA 73 Ca -0.02 -1.19 -0.08 0.00 0.00 0.00 0.00 51.96 50.67 1k7k s ALA 73 Cb -0.14 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1k7k s ALA 73 CO 0.02 -0.30 0.09 0.08 0.00 0.00 0.00 175.76 175.65 1k7k s VAL 74 N 1.22 4.77 0.12 0.00 1.01 0.11 -1.32 120.40 126.30 1k7k s VAL 74 Ca 0.03 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 1k7k s VAL 74 Cb -0.14 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 1k7k s VAL 74 CO -0.10 0.39 1.73 0.44 0.00 0.00 0.00 175.10 177.56 1k7k h ASP 75 N 7.39 -0.06 0.39 3.32 3.32 -1.72 -1.19 116.42 127.88 1k7k h ASP 75 Ca -0.37 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1k7k h ASP 75 Cb 1.17 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1k7k h ASP 75 CO 0.64 -0.01 0.00 1.62 -1.72 0.00 0.00 179.24 179.78 1k7k h VAL 76 N 0.05 0.00 -0.54 -1.35 3.04 -1.79 -1.34 116.25 114.32 1k7k h VAL 76 Ca 0.07 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1k7k h VAL 76 Cb 0.08 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 1k7k h VAL 76 CO -0.12 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.62 1k7k n LEU 77 N -2.72 5.01 -1.27 3.16 4.77 -0.85 -4.94 117.00 120.17 1k7k n LEU 77 Ca -0.01 -2.76 -0.14 0.00 -0.03 0.00 0.00 56.01 53.07 1k7k n LEU 77 Cb 0.15 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 1k7k n LEU 77 CO 0.19 0.70 -0.15 0.61 -1.33 0.00 0.00 177.39 177.41 1k7k n GLY 78 N 0.58 0.84 0.54 -0.72 0.00 -0.50 -2.48 105.19 103.45 1k7k n GLY 78 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1k7k n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k7k n GLY 79 N -1.17 0.57 3.75 -0.02 0.00 -0.51 -4.97 105.19 102.84 1k7k n GLY 79 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1k7k n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k7k s ALA 80 N -2.28 2.19 0.46 4.61 0.00 -1.04 -1.47 121.76 124.24 1k7k s ALA 80 Ca 0.00 0.53 0.26 0.00 0.00 0.00 0.00 51.96 52.75 1k7k s ALA 80 Cb 0.00 -3.35 1.48 0.00 0.00 0.00 0.00 23.12 21.24 1k7k s ALA 80 CO 0.00 -1.77 2.11 -1.35 0.00 0.00 0.00 175.76 174.75 1k7k h PRO 81 N -0.68 0.00 0.00 0.00 0.11 -1.89 0.34 132.00 129.88 1k7k h PRO 81 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1k7k h PRO 81 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1k7k h PRO 81 CO 0.50 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.80 1k7k n GLY 82 N -0.90 3.38 0.00 -0.55 0.00 0.38 -0.92 105.19 106.58 1k7k n GLY 82 Ca -0.02 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1k7k n GLY 82 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k7k n ILE 83 N 0.00 0.73 0.16 -0.61 -6.64 -1.26 -1.57 119.36 110.17 1k7k n ILE 83 Ca 0.00 0.18 0.08 0.00 -1.77 0.00 0.00 62.75 61.24 1k7k n ILE 83 Cb 0.00 -0.92 0.25 0.00 -1.44 0.00 0.00 39.64 37.53 1k7k n ILE 83 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 1k7k n TYR 84 N -1.38 0.88 -0.11 4.28 4.01 -0.10 -4.62 117.16 120.12 1k7k n TYR 84 Ca 0.06 -0.39 -0.05 0.00 -0.16 0.00 0.00 57.90 57.36 1k7k n TYR 84 Cb 0.15 -0.08 0.02 0.00 -0.31 0.00 0.00 39.34 39.11 1k7k n TYR 84 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1k7k h SER 85 N 3.07 -0.27 0.76 7.72 0.02 -1.35 0.31 113.55 123.81 1k7k h SER 85 Ca 0.00 0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1k7k h SER 85 Cb 0.89 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1k7k h SER 85 CO 0.08 -0.09 -0.44 0.00 -1.14 0.00 0.00 176.83 175.24 1k7k h ALA 86 N 1.36 1.01 -0.08 3.77 0.00 -1.85 -3.21 119.26 120.26 1k7k h ALA 86 Ca 0.18 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1k7k h ALA 86 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1k7k h ALA 86 CO -0.36 0.55 -0.31 0.54 0.00 0.00 0.00 179.25 179.67 1k7k n ARG 87 N -3.63 1.64 -0.28 0.00 1.74 -0.84 -4.79 116.66 110.50 1k7k n ARG 87 Ca -0.01 -3.14 0.04 0.00 -0.77 0.00 0.00 57.85 53.97 1k7k n ARG 87 Cb 0.53 -1.65 0.18 0.00 -1.02 0.00 0.00 32.46 30.50 1k7k n ARG 87 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1k7k h TYR 88 N 0.86 0.74 -0.22 -1.55 3.20 -0.41 -1.72 116.97 117.87 1k7k h TYR 88 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1k7k h TYR 88 Cb 1.15 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.21 1k7k h TYR 88 CO 0.67 0.24 0.00 -1.13 -1.64 0.00 0.00 178.16 176.30 1k7k n SER 89 N -4.84 1.84 0.00 -2.11 3.41 -1.26 -5.04 113.62 105.62 1k7k n SER 89 Ca 0.14 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1k7k n SER 89 Cb 0.33 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1k7k n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k7k n GLY 90 N 1.15 0.55 0.21 5.00 0.00 -0.65 -4.66 105.19 106.80 1k7k n GLY 90 Ca 0.16 -2.21 0.08 0.00 0.00 0.00 0.00 46.02 44.04 1k7k n GLY 90 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k7k h GLU 91 N 2.88 0.00 -0.66 1.61 4.81 -1.97 -2.95 114.58 118.30 1k7k h GLU 91 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1k7k h GLU 91 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1k7k h GLU 91 CO 0.00 0.28 0.00 -0.40 -0.73 0.00 0.00 179.01 178.16 1k7k n ASP 92 N -3.62 4.66 -4.75 1.04 5.68 -1.26 -5.03 116.55 113.27 1k7k n ASP 92 Ca -0.01 -2.42 -0.39 0.00 -0.50 0.00 0.00 54.79 51.47 1k7k n ASP 92 Cb 0.41 -0.57 0.03 0.00 -1.14 0.00 0.00 41.12 39.84 1k7k n ASP 92 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1k7k n ALA 93 N 1.14 1.75 -2.31 2.12 0.00 -1.11 -5.04 120.51 117.06 1k7k n ALA 93 Ca 0.25 0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.73 1k7k n ALA 93 Cb 0.87 -2.36 -0.10 0.00 0.00 0.00 0.00 19.45 17.86 1k7k n ALA 93 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1k7k s THR 94 N -1.24 0.86 0.20 0.00 -4.23 -1.26 -5.03 115.64 104.94 1k7k s THR 94 Ca 0.66 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 1k7k s THR 94 Cb -0.44 -2.35 0.12 0.00 1.34 0.00 0.00 72.50 71.17 1k7k s THR 94 CO 0.54 -0.30 1.75 0.44 -0.54 0.00 0.00 174.62 176.51 1k7k h ASP 95 N 2.51 0.24 -0.35 3.99 3.32 -1.92 0.08 116.42 124.29 1k7k h ASP 95 Ca -0.38 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 1k7k h ASP 95 Cb 1.22 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1k7k h ASP 95 CO 0.63 0.16 0.09 -0.61 -1.72 0.00 0.00 179.24 177.79 1k7k h GLN 96 N 0.41 0.55 -0.63 3.56 5.75 -1.98 -0.40 115.11 122.38 1k7k h GLN 96 Ca 0.28 -0.13 -0.08 0.00 -0.15 0.00 0.00 58.65 58.57 1k7k h GLN 96 Cb 0.30 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1k7k h GLN 96 CO -0.27 0.59 0.07 0.87 -2.65 0.00 0.00 178.83 177.45 1k7k h LYS 97 N 0.41 1.05 -0.28 1.69 1.57 -1.91 -0.37 116.57 118.72 1k7k h LYS 97 Ca 0.11 -0.29 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1k7k h LYS 97 Cb 0.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1k7k h LYS 97 CO -0.00 0.99 0.14 -0.91 -0.57 0.00 0.00 179.45 179.09 1k7k h ASN 98 N 0.98 0.20 0.20 0.86 2.35 -0.80 -0.72 115.58 118.65 1k7k h ASN 98 Ca 0.19 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.82 1k7k h ASN 98 Cb 0.47 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1k7k h ASN 98 CO 0.02 0.15 -0.50 0.17 -1.65 0.00 0.00 177.43 175.62 1k7k h LEU 99 N 0.29 0.37 -0.88 1.61 8.10 -0.89 -1.71 115.31 122.20 1k7k h LEU 99 Ca 0.12 -0.18 -0.10 0.00 0.11 0.00 0.00 57.88 57.83 1k7k h LEU 99 Cb 0.04 -0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.14 1k7k h LEU 99 CO -0.08 0.81 -0.20 1.56 -4.11 0.00 0.00 178.44 176.42 1k7k h GLN 100 N 0.27 0.61 -0.42 0.17 1.08 -0.95 -1.19 115.11 114.68 1k7k h GLN 100 Ca 0.01 -0.22 -0.12 0.00 -1.45 0.00 0.00 58.65 56.87 1k7k h GLN 100 Cb 0.97 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1k7k h GLN 100 CO 0.08 0.77 -0.21 -0.22 -0.95 0.00 0.00 178.83 178.30 1k7k h LYS 101 N 0.54 0.83 -0.45 1.46 3.64 -0.76 -1.50 116.57 120.33 1k7k h LYS 101 Ca 0.08 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 1k7k h LYS 101 Cb 0.64 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1k7k h LYS 101 CO 0.05 0.96 0.04 1.25 -2.27 0.00 0.00 179.45 179.48 1k7k h LEU 102 N 0.73 0.74 -0.61 5.20 5.85 -1.01 0.63 115.31 126.84 1k7k h LEU 102 Ca 0.10 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1k7k h LEU 102 Cb 0.74 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1k7k h LEU 102 CO 0.06 0.84 0.38 -0.07 -0.34 0.00 0.00 178.44 179.30 1k7k h LEU 103 N 0.62 0.63 -0.53 2.25 3.38 -0.99 -2.60 115.31 118.07 1k7k h LEU 103 Ca 0.13 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1k7k h LEU 103 Cb 0.43 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1k7k h LEU 103 CO 0.01 0.44 0.29 -0.08 0.09 0.00 0.00 178.44 179.19 1k7k h GLU 104 N 0.75 0.74 -1.11 1.13 4.57 -0.90 -1.38 114.58 118.38 1k7k h GLU 104 Ca 0.24 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1k7k h GLU 104 Cb -0.00 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1k7k h GLU 104 CO -0.09 0.57 0.00 2.41 -1.18 0.00 0.00 179.01 180.72 1k7k n THR 105 N -4.63 0.05 0.00 0.32 -1.04 0.18 -4.70 114.28 104.46 1k7k n THR 105 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1k7k n THR 105 Cb 0.09 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1k7k n THR 105 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1k7k n LYS 107 N 0.73 0.00 -0.32 -2.82 2.85 -0.52 -4.85 118.16 113.23 1k7k n LYS 107 Ca 0.00 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.35 1k7k n LYS 107 Cb 0.04 0.00 0.26 0.00 -0.65 0.00 0.00 35.03 34.68 1k7k n LYS 107 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1k7k n ASP 108 N 0.00 3.65 -4.69 -5.58 8.00 -1.26 -4.95 116.55 111.72 1k7k n ASP 108 Ca 0.00 -2.04 -0.42 0.00 0.71 0.00 0.00 54.79 53.03 1k7k n ASP 108 Cb 0.00 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 1k7k n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k7k s VAL 109 N -1.08 4.64 0.70 2.53 1.01 -1.26 -5.00 120.40 121.94 1k7k s VAL 109 Ca 0.40 1.92 -0.16 0.00 0.00 0.00 0.00 61.98 64.14 1k7k s VAL 109 Cb 0.21 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.38 1k7k s VAL 109 CO 0.26 0.00 1.26 -2.84 0.00 0.00 0.00 175.10 173.79 1k7k s PRO 110 N 2.07 2.22 0.49 2.72 0.02 -1.26 -4.87 135.00 136.39 1k7k s PRO 110 Ca 0.50 1.96 0.26 0.00 0.02 0.00 0.00 61.00 63.74 1k7k s PRO 110 Cb -0.20 -1.82 1.32 0.00 0.02 0.00 0.00 34.50 33.82 1k7k s PRO 110 CO 0.19 -1.82 1.87 -0.44 -0.33 0.00 0.00 177.00 176.46 1k7k h ASP 111 N 0.03 0.17 -0.48 2.53 3.32 -1.99 -0.36 116.42 119.64 1k7k h ASP 111 Ca -0.49 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1k7k h ASP 111 Cb 1.32 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1k7k h ASP 111 CO 0.51 0.06 0.00 -0.90 -1.72 0.00 0.00 179.24 177.19 1k7k n ASP 112 N -4.38 2.85 -0.19 6.45 5.75 -1.26 -3.97 116.55 121.79 1k7k n ASP 112 Ca 0.19 -1.96 0.09 0.00 -0.01 0.00 0.00 54.79 53.10 1k7k n ASP 112 Cb 0.87 -0.32 0.14 0.00 -1.03 0.00 0.00 41.12 40.79 1k7k n ASP 112 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k7k n GLN 113 N 1.06 1.23 -1.03 0.11 6.02 -0.15 -4.76 117.38 119.86 1k7k n GLN 113 Ca 0.18 -2.58 -0.06 0.00 -0.01 0.00 0.00 57.00 54.53 1k7k n GLN 113 Cb 0.47 -1.43 0.31 0.00 1.02 0.00 0.00 30.24 30.60 1k7k n GLN 113 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1k7k n ARG 114 N -1.28 3.75 -1.73 -1.09 1.74 -1.24 -4.53 116.66 112.29 1k7k n ARG 114 Ca 0.15 -3.05 -0.40 0.00 -0.77 0.00 0.00 57.85 53.77 1k7k n ARG 114 Cb 0.66 -2.22 0.02 0.00 -1.02 0.00 0.00 32.46 29.89 1k7k n ARG 114 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1k7k n GLN 115 N -0.13 2.05 -3.68 5.56 3.00 -1.26 -1.07 117.38 121.84 1k7k n GLN 115 Ca 0.41 0.73 -0.10 0.00 -0.01 0.00 0.00 57.00 58.03 1k7k n GLN 115 Cb 1.39 -2.48 -0.04 0.00 0.00 0.00 0.00 30.24 29.11 1k7k n GLN 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1k7k s ALA 116 N -1.20 -0.94 -0.01 -1.58 0.00 -0.60 -2.02 121.76 115.42 1k7k s ALA 116 Ca 0.61 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1k7k s ALA 116 Cb -0.48 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 1k7k s ALA 116 CO 0.58 -0.73 -0.05 1.03 0.00 0.00 0.00 175.76 176.58 1k7k s ARG 117 N -3.84 0.42 0.28 0.00 0.52 -0.43 -0.70 118.95 115.20 1k7k s ARG 117 Ca 0.07 -0.17 -0.25 0.00 -0.52 0.00 0.00 55.73 54.86 1k7k s ARG 117 Cb 0.00 -0.41 -0.09 0.00 0.52 0.00 0.00 34.95 34.97 1k7k s ARG 117 CO -0.07 0.10 0.88 -0.06 0.02 0.00 0.00 175.30 176.16 1k7k s PHE 118 N -0.07 3.72 -0.02 -0.53 0.08 -0.62 -1.07 117.98 119.47 1k7k s PHE 118 Ca 0.01 1.68 0.05 0.00 0.12 0.00 0.00 56.93 58.79 1k7k s PHE 118 Cb -0.03 -2.84 -0.01 0.00 -0.57 0.00 0.00 43.02 39.58 1k7k s PHE 118 CO -0.00 0.28 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.22 1k7k s HIS 119 N -1.53 1.53 -0.12 0.36 3.76 -0.13 -1.02 115.29 118.14 1k7k s HIS 119 Ca 0.47 -0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 55.06 1k7k s HIS 119 Cb -0.19 -0.99 0.03 0.00 1.11 0.00 0.00 32.58 32.54 1k7k s HIS 119 CO 0.24 -0.04 -0.06 0.00 -0.85 0.00 0.00 174.74 174.03 1k7k s VAL 121 N 1.73 3.32 -0.13 0.00 1.01 -0.31 -0.95 120.40 125.08 1k7k s VAL 121 Ca 0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1k7k s VAL 121 Cb -0.13 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1k7k s VAL 121 CO -0.08 0.34 -0.01 -0.76 0.00 0.00 0.00 175.10 174.59 1k7k s LEU 122 N 1.45 3.45 0.10 3.92 1.43 -0.02 -1.48 118.68 127.53 1k7k s LEU 122 Ca 0.04 -0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1k7k s LEU 122 Cb -0.15 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1k7k s LEU 122 CO -0.03 0.24 -0.19 0.68 0.23 0.00 0.00 176.35 177.29 1k7k s VAL 123 N -0.08 1.57 -0.19 -1.59 -7.23 0.31 -0.67 120.40 112.52 1k7k s VAL 123 Ca 0.03 -1.54 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1k7k s VAL 123 Cb -0.13 -1.48 0.05 0.00 0.56 0.00 0.00 36.38 35.39 1k7k s VAL 123 CO 0.02 -0.14 -0.00 -0.47 -0.31 0.00 0.00 175.10 174.20 1k7k s TYR 124 N -1.33 1.40 -0.15 2.82 6.14 -0.19 -1.64 117.35 124.39 1k7k s TYR 124 Ca 0.06 -1.02 -0.06 0.00 0.64 0.00 0.00 57.07 56.69 1k7k s TYR 124 Cb -0.09 -1.17 -0.04 0.00 0.42 0.00 0.00 41.96 41.07 1k7k s TYR 124 CO 0.04 -0.62 0.07 -0.51 0.64 0.00 0.00 175.55 175.17 1k7k s LEU 125 N 1.73 3.90 0.25 6.97 1.43 0.09 -1.60 118.68 131.45 1k7k s LEU 125 Ca -0.01 0.18 0.11 0.00 -1.03 0.00 0.00 54.13 53.38 1k7k s LEU 125 Cb -0.17 -1.96 0.26 0.00 0.03 0.00 0.00 46.19 44.35 1k7k s LEU 125 CO -0.07 0.27 1.54 0.03 0.23 0.00 0.00 176.35 178.35 1k7k h ARG 126 N 5.99 0.00 -2.61 1.70 3.08 -1.92 -0.83 114.38 119.78 1k7k h ARG 126 Ca -0.44 0.00 0.13 0.00 0.07 0.00 0.00 59.98 59.74 1k7k h ARG 126 Cb 1.19 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.18 1k7k h ARG 126 CO 0.65 0.67 0.41 -3.38 -1.07 0.00 0.00 179.97 177.24 1k7k s HIS 127 N -3.37 -0.09 0.54 3.04 -3.43 -1.26 -3.82 115.29 106.91 1k7k s HIS 127 Ca -0.00 -0.31 0.22 0.00 -0.80 0.00 0.00 55.06 54.16 1k7k s HIS 127 Cb 0.12 0.69 1.49 0.00 -1.43 0.00 0.00 32.58 33.44 1k7k s HIS 127 CO 0.76 -1.03 2.18 0.00 -2.00 0.00 0.00 174.74 174.65 1k7k h ALA 128 N 2.00 1.76 -0.58 -1.38 0.00 -1.85 -2.17 119.26 117.05 1k7k h ALA 128 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1k7k h ALA 128 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1k7k h ALA 128 CO 0.28 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.94 1k7k n GLU 129 N -4.21 2.65 -1.67 0.00 1.02 -1.26 -4.88 120.64 112.28 1k7k n GLU 129 Ca -0.03 -2.45 -0.42 0.00 -0.02 0.00 0.00 57.16 54.24 1k7k n GLU 129 Cb 0.10 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 1k7k n GLU 129 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1k7k s ASP 130 N -1.11 6.39 0.00 1.62 -1.08 -0.82 -4.86 116.67 116.81 1k7k s ASP 130 Ca 0.42 2.62 0.30 0.00 -0.52 0.00 0.00 52.55 55.37 1k7k s ASP 130 Cb 0.22 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.60 1k7k s ASP 130 CO 0.30 -1.11 2.02 -0.81 0.52 0.00 0.00 175.17 176.09 1k7k n PRO 131 N 7.61 0.38 -3.17 4.34 -0.04 -1.26 -4.27 135.00 138.58 1k7k n PRO 131 Ca 0.20 -0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 1k7k n PRO 131 Cb 0.41 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 1k7k n PRO 131 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1k7k n THR 132 N -1.30 0.22 -1.52 0.52 5.66 -1.26 -5.11 114.28 111.50 1k7k n THR 132 Ca 0.13 -4.60 -0.35 0.00 -3.05 0.00 0.00 64.05 56.18 1k7k n THR 132 Cb 0.26 -0.94 0.09 0.00 -1.55 0.00 0.00 70.33 68.19 1k7k n THR 132 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1k7k s PRO 133 N -2.24 2.22 0.21 1.09 0.04 -1.26 -4.96 135.00 130.11 1k7k s PRO 133 Ca 0.40 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 63.07 1k7k s PRO 133 Cb 0.28 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.92 1k7k s PRO 133 CO -0.09 -1.81 1.21 -1.17 0.04 0.00 0.00 177.00 175.18 1k7k s LEU 134 N -4.87 4.46 -0.06 -3.56 2.96 -0.63 -4.89 118.68 112.08 1k7k s LEU 134 Ca 0.79 2.31 0.05 0.00 -0.22 0.00 0.00 54.13 57.06 1k7k s LEU 134 Cb -0.34 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.73 1k7k s LEU 134 CO 0.44 -0.38 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.17 1k7k s VAL 135 N -0.28 1.86 -0.21 1.68 1.01 -1.26 -1.02 120.40 122.17 1k7k s VAL 135 Ca 0.52 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1k7k s VAL 135 Cb -0.34 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.52 1k7k s VAL 135 CO 0.39 0.52 0.01 0.00 0.00 0.00 0.00 175.10 176.02 1k7k s HIS 137 N 1.72 3.29 0.01 0.00 2.46 -1.26 -0.84 115.29 120.68 1k7k s HIS 137 Ca -0.02 -1.78 -0.06 0.00 0.47 0.00 0.00 55.06 53.67 1k7k s HIS 137 Cb -0.18 -2.28 -0.05 0.00 -0.13 0.00 0.00 32.58 29.95 1k7k s HIS 137 CO -0.08 -0.80 0.27 0.20 -2.47 0.00 0.00 174.74 171.87 1k7k s GLY 138 N 1.37 2.25 0.11 1.59 0.00 -0.12 -4.83 107.32 107.68 1k7k s GLY 138 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1k7k s GLY 138 CO -0.00 -0.40 -0.01 -1.35 0.00 0.00 0.00 173.10 171.34 1k7k s SER 139 N -1.74 0.74 -0.21 1.64 1.04 -1.26 -0.77 113.70 113.14 1k7k s SER 139 Ca 0.28 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.58 1k7k s SER 139 Cb -0.13 0.18 0.11 0.00 0.10 0.00 0.00 66.02 66.28 1k7k s SER 139 CO 0.17 -0.60 0.29 0.86 0.98 0.00 0.00 173.24 174.94 1k7k s TRP 140 N -3.83 -0.52 0.42 5.02 -0.00 -0.19 -4.55 118.94 115.30 1k7k s TRP 140 Ca 0.16 0.55 -0.19 0.00 -0.00 0.00 0.00 56.10 56.62 1k7k s TRP 140 Cb 0.07 -0.17 -0.10 0.00 -0.00 0.00 0.00 33.47 33.27 1k7k s TRP 140 CO -0.03 -0.63 0.92 -1.25 -0.00 0.00 0.00 176.95 175.96 1k7k s PRO 141 N 2.43 4.16 0.00 5.86 0.04 -1.26 -1.59 135.00 144.63 1k7k s PRO 141 Ca 0.09 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1k7k s PRO 141 Cb -0.15 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1k7k s PRO 141 CO -0.13 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1k7k n GLY 142 N -0.72 2.29 2.91 0.56 0.00 0.12 -4.81 105.19 105.54 1k7k n GLY 142 Ca 0.06 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 1k7k n GLY 142 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k7k s VAL 143 N -2.85 0.39 0.02 1.61 1.01 -0.14 -1.56 120.40 118.89 1k7k s VAL 143 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1k7k s VAL 143 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1k7k s VAL 143 CO 0.00 0.15 1.01 -0.63 0.00 0.00 0.00 175.10 175.64 1k7k s ILE 144 N 0.42 4.71 1.09 2.22 -1.09 -0.23 -0.34 121.20 127.97 1k7k s ILE 144 Ca -0.05 1.96 -0.18 0.00 -2.23 0.00 0.00 60.65 60.16 1k7k s ILE 144 Cb -0.08 -4.26 0.25 0.00 -1.58 0.00 0.00 42.46 36.79 1k7k s ILE 144 CO -0.00 0.16 1.25 0.42 -1.23 0.00 0.00 174.94 175.54 1k7k s THR 145 N 0.94 1.80 -0.76 2.92 -4.23 -0.02 -4.91 115.64 111.38 1k7k s THR 145 Ca 0.53 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 61.23 1k7k s THR 145 Cb -0.23 -2.79 -0.23 0.00 1.34 0.00 0.00 72.50 70.60 1k7k s THR 145 CO 0.28 0.00 0.76 0.54 -0.54 0.00 0.00 174.62 175.67 1k7k n ARG 146 N -4.26 0.52 -3.88 3.99 1.74 -1.26 -4.96 116.66 108.55 1k7k n ARG 146 Ca 0.16 -0.03 -0.11 0.00 -0.77 0.00 0.00 57.85 57.09 1k7k n ARG 146 Cb 0.59 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.50 1k7k n ARG 146 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1k7k s GLU 147 N -2.96 0.50 0.36 5.56 8.01 -1.26 -5.04 118.70 123.87 1k7k s GLU 147 Ca 0.05 -0.45 -0.26 0.00 0.01 0.00 0.00 54.97 54.31 1k7k s GLU 147 Cb 0.15 0.20 -0.09 0.00 -4.31 0.00 0.00 34.13 30.08 1k7k s GLU 147 CO 0.82 -0.12 1.15 -2.14 0.01 0.00 0.00 175.26 174.98 1k7k s PRO 148 N -1.55 4.24 -0.03 0.39 0.02 -1.26 -4.74 135.00 132.07 1k7k s PRO 148 Ca -0.14 1.83 -0.01 0.00 0.02 0.00 0.00 61.00 62.71 1k7k s PRO 148 Cb -0.07 -2.82 0.03 0.00 0.02 0.00 0.00 34.50 31.66 1k7k s PRO 148 CO 0.01 -0.15 0.04 0.00 -0.33 0.00 0.00 177.00 176.57 1k7k s ALA 149 N -1.35 0.10 0.00 -1.55 0.00 0.15 -5.02 121.76 114.08 1k7k s ALA 149 Ca 0.53 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1k7k s ALA 149 Cb -0.31 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1k7k s ALA 149 CO 0.39 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.37 1k7k n GLY 150 N 4.42 0.86 0.04 0.00 0.00 -1.26 -4.32 105.19 104.92 1k7k n GLY 150 Ca -0.23 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.09 1k7k n GLY 150 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k7k n THR 151 N 0.95 0.58 -2.12 2.61 -2.24 -1.23 -4.70 114.28 108.13 1k7k n THR 151 Ca 0.00 -0.61 -0.28 0.00 -2.27 0.00 0.00 64.05 60.90 1k7k n THR 151 Cb 0.00 0.66 0.14 0.00 -2.10 0.00 0.00 70.33 69.03 1k7k n THR 151 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1k7k s GLY 152 N -0.71 1.75 0.00 3.38 0.00 -0.48 -4.91 107.32 106.35 1k7k s GLY 152 Ca 0.02 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1k7k s GLY 152 CO 0.00 -0.60 0.00 0.61 0.00 0.00 0.00 173.10 173.11 1k7k n GLY 153 N -3.39 1.50 3.77 0.20 0.00 -1.26 -4.43 105.19 101.57 1k7k n GLY 153 Ca 0.14 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1k7k n GLY 153 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1k7k s PHE 154 N 0.00 0.24 0.00 1.61 -0.71 -1.26 -5.05 117.98 112.81 1k7k s PHE 154 Ca 0.00 -0.86 0.00 0.00 -1.04 0.00 0.00 56.93 55.03 1k7k s PHE 154 Cb 0.00 0.72 0.00 0.00 -1.21 0.00 0.00 43.02 42.53 1k7k s PHE 154 CO 0.00 -1.52 0.00 0.41 -1.34 0.00 0.00 175.22 172.77 1k7k n GLY 155 N -0.54 3.23 0.39 1.99 0.00 -1.26 -1.88 105.19 107.13 1k7k n GLY 155 Ca -0.07 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.87 1k7k n GLY 155 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k7k n TYR 156 N 13.71 0.20 -0.35 1.61 4.01 -1.26 -4.42 117.16 130.67 1k7k n TYR 156 Ca 0.00 -0.10 0.09 0.00 -0.16 0.00 0.00 57.90 57.73 1k7k n TYR 156 Cb 0.00 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.30 1k7k n TYR 156 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1k7k h ASP 157 N 1.45 0.80 0.29 7.72 3.32 -1.73 -0.89 116.42 127.38 1k7k h ASP 157 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1k7k h ASP 157 Cb 0.32 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1k7k h ASP 157 CO 0.00 0.36 0.00 -2.65 -1.72 0.00 0.00 179.24 175.23 1k7k n PRO 158 N -4.72 0.05 -0.03 3.56 -0.02 -1.26 -2.13 135.00 130.44 1k7k n PRO 158 Ca 0.20 0.42 0.01 0.00 -2.02 0.00 0.00 63.50 62.11 1k7k n PRO 158 Cb 0.45 -1.62 0.02 0.00 -0.02 0.00 0.00 33.50 32.33 1k7k n PRO 158 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1k7k n ILE 159 N -1.72 0.97 -3.41 4.25 -5.35 -0.36 -0.68 119.36 113.06 1k7k n ILE 159 Ca 0.01 -0.99 -0.44 0.00 -0.27 0.00 0.00 62.75 61.06 1k7k n ILE 159 Cb 0.10 0.51 -0.05 0.00 -1.74 0.00 0.00 39.64 38.47 1k7k n ILE 159 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1k7k s PHE 160 N -0.98 3.56 0.19 4.28 5.36 -0.91 -0.84 117.98 128.65 1k7k s PHE 160 Ca 0.03 -1.93 -0.30 0.00 -0.96 0.00 0.00 56.93 53.77 1k7k s PHE 160 Cb 0.02 -3.68 -0.08 0.00 -0.34 0.00 0.00 43.02 38.94 1k7k s PHE 160 CO 0.02 -0.98 1.02 0.12 -1.46 0.00 0.00 175.22 173.95 1k7k s PHE 161 N 0.60 3.75 -0.47 10.12 2.19 0.54 -1.43 117.98 133.28 1k7k s PHE 161 Ca 0.13 1.75 -0.02 0.00 0.33 0.00 0.00 56.93 59.11 1k7k s PHE 161 Cb -0.18 -3.14 0.12 0.00 -1.31 0.00 0.00 43.02 38.51 1k7k s PHE 161 CO -0.04 -0.12 0.26 0.08 1.83 0.00 0.00 175.22 177.23 1k7k s VAL 162 N -0.56 3.32 0.31 3.12 1.01 -0.20 -0.96 120.40 126.44 1k7k s VAL 162 Ca 0.46 -2.35 0.06 0.00 0.00 0.00 0.00 61.98 60.15 1k7k s VAL 162 Cb -0.27 -3.26 0.30 0.00 0.00 0.00 0.00 36.38 33.15 1k7k s VAL 162 CO 0.34 -0.74 1.78 -0.65 0.00 0.00 0.00 175.10 175.82 1k7k h PRO 163 N 7.71 0.73 0.00 2.72 0.11 -1.87 0.95 132.00 142.34 1k7k h PRO 163 Ca -0.09 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 1k7k h PRO 163 Cb 1.02 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1k7k h PRO 163 CO 0.69 0.48 -0.01 0.66 -0.21 0.00 0.00 178.00 179.61 1k7k h SER 164 N 0.75 0.00 -0.00 -2.05 4.64 -1.94 -2.26 113.55 112.68 1k7k h SER 164 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1k7k h SER 164 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1k7k h SER 164 CO -0.38 0.01 -0.51 -0.62 -0.87 0.00 0.00 176.83 174.46 1k7k n GLU 165 N -3.24 2.62 -2.38 4.77 -0.58 0.19 -5.00 120.64 117.03 1k7k n GLU 165 Ca -0.02 -0.18 -0.20 0.00 -0.42 0.00 0.00 57.16 56.34 1k7k n GLU 165 Cb 0.13 -1.11 -0.01 0.00 -0.57 0.00 0.00 31.44 29.87 1k7k n GLU 165 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k7k n GLY 166 N 1.23 -0.42 3.81 0.62 0.00 -0.40 -4.96 105.19 105.06 1k7k n GLY 166 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1k7k n GLY 166 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k7k s LYS 167 N -5.01 1.93 0.68 1.61 -2.85 -1.23 -5.00 119.74 109.87 1k7k s LYS 167 Ca 0.00 -1.19 -0.05 0.00 -1.00 0.00 0.00 55.97 53.73 1k7k s LYS 167 Cb 0.00 0.60 0.06 0.00 -2.06 0.00 0.00 37.83 36.43 1k7k s LYS 167 CO 0.00 -0.88 0.98 0.95 0.10 0.00 0.00 175.35 176.50 1k7k s THR 168 N -3.35 2.33 0.40 3.79 -4.23 -1.26 -1.04 115.64 112.29 1k7k s THR 168 Ca 0.14 -0.34 0.09 0.00 -1.18 0.00 0.00 61.69 60.39 1k7k s THR 168 Cb -0.05 -2.98 0.21 0.00 1.34 0.00 0.00 72.50 71.02 1k7k s THR 168 CO 0.09 0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.16 1k7k h ALA 169 N -0.50 1.62 0.00 3.99 0.00 -1.20 0.30 119.26 123.47 1k7k h ALA 169 Ca -0.44 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1k7k h ALA 169 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1k7k h ALA 169 CO 0.58 0.29 0.00 0.00 0.00 0.00 0.00 179.25 180.12 1k7k h ALA 170 N 1.70 1.00 0.00 0.00 0.00 -1.72 -2.94 119.26 117.31 1k7k h ALA 170 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1k7k h ALA 170 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1k7k h ALA 170 CO -0.00 0.00 -0.43 0.93 0.00 0.00 0.00 179.25 179.75 1k7k h GLU 171 N 0.00 0.00 -7.15 0.00 5.08 -1.13 -1.26 114.58 110.12 1k7k h GLU 171 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 1k7k h GLU 171 Cb 0.69 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.97 1k7k h GLU 171 CO 0.00 0.00 0.37 -0.51 -1.00 0.00 0.00 179.01 177.87 1k7k s LEU 172 N -4.80 3.68 0.88 1.33 1.43 -1.08 -4.96 118.68 115.16 1k7k s LEU 172 Ca 0.06 1.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.80 1k7k s LEU 172 Cb 0.11 -4.53 0.12 0.00 0.03 0.00 0.00 46.19 41.92 1k7k s LEU 172 CO 0.69 -0.80 1.17 0.42 0.23 0.00 0.00 176.35 178.06 1k7k s THR 173 N -2.34 1.99 0.21 5.49 -4.23 -1.26 -4.76 115.64 110.73 1k7k s THR 173 Ca 0.63 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.04 1k7k s THR 173 Cb -0.13 -2.87 0.15 0.00 1.34 0.00 0.00 72.50 70.99 1k7k s THR 173 CO 0.28 0.00 1.86 0.08 -0.54 0.00 0.00 174.62 176.30 1k7k h ARG 174 N -1.36 0.99 -0.49 3.99 -0.00 -1.97 0.13 114.38 115.68 1k7k h ARG 174 Ca -0.48 -0.08 -0.11 0.00 -0.00 0.00 0.00 59.98 59.31 1k7k h ARG 174 Cb 1.32 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.97 31.06 1k7k h ARG 174 CO 0.61 0.69 -0.13 0.93 -0.00 0.00 0.00 179.97 182.07 1k7k h GLU 175 N 1.01 0.96 0.04 0.08 3.07 -1.98 0.26 114.58 118.03 1k7k h GLU 175 Ca 0.27 -0.37 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1k7k h GLU 175 Cb -0.07 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1k7k h GLU 175 CO -0.05 1.04 -0.02 0.93 -1.40 0.00 0.00 179.01 179.50 1k7k h GLU 176 N 0.82 -0.06 -0.33 2.33 5.08 -1.85 -1.84 114.58 118.72 1k7k h GLU 176 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1k7k h GLU 176 Cb 0.69 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1k7k h GLU 176 CO 0.05 0.15 0.13 -0.22 -1.00 0.00 0.00 179.01 178.12 1k7k h LYS 177 N -0.26 0.50 -0.03 2.33 3.64 -0.58 -2.65 116.57 119.52 1k7k h LYS 177 Ca -0.01 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1k7k h LYS 177 Cb 0.23 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1k7k h LYS 177 CO 0.01 0.50 0.02 0.77 -2.27 0.00 0.00 179.45 178.48 1k7k h SER 178 N 0.39 0.00 0.95 4.20 0.02 -0.43 -0.13 113.55 118.55 1k7k h SER 178 Ca 0.11 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1k7k h SER 178 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1k7k h SER 178 CO -0.01 0.00 -0.41 0.00 -1.14 0.00 0.00 176.83 175.27 1k7k h ALA 179 N 1.98 0.93 0.00 3.77 0.00 -0.95 -3.37 119.26 121.61 1k7k h ALA 179 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1k7k h ALA 179 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1k7k h ALA 179 CO -0.00 0.51 0.00 0.44 0.00 0.00 0.00 179.25 180.20 1k7k n ILE 180 N -3.48 0.00 -1.57 0.00 -5.35 -0.95 -4.92 119.36 103.10 1k7k n ILE 180 Ca 0.00 -0.31 -0.29 0.00 -0.27 0.00 0.00 62.75 61.89 1k7k n ILE 180 Cb 0.56 1.29 0.13 0.00 -1.74 0.00 0.00 39.64 39.88 1k7k n ILE 180 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1k7k s SER 181 N -0.15 3.60 0.27 7.28 1.04 -0.10 -4.80 113.70 120.83 1k7k s SER 181 Ca 0.00 0.95 -0.01 0.00 0.48 0.00 0.00 55.95 57.37 1k7k s SER 181 Cb 0.00 -1.51 0.48 0.00 0.10 0.00 0.00 66.02 65.09 1k7k s SER 181 CO 0.00 -2.49 1.85 1.12 0.98 0.00 0.00 173.24 174.70 1k7k h HIS 182 N -1.46 1.14 -0.31 5.02 2.07 -1.85 -0.81 115.15 118.94 1k7k h HIS 182 Ca -0.50 0.03 -0.18 0.00 -2.85 0.00 0.00 60.37 56.87 1k7k h HIS 182 Cb 1.33 -0.36 -0.00 0.00 2.57 0.00 0.00 27.41 30.95 1k7k h HIS 182 CO 0.29 0.50 -0.50 -0.09 -3.07 0.00 0.00 177.93 175.06 1k7k h ARG 183 N 1.04 0.88 -0.57 5.12 2.43 -1.91 -1.27 114.38 120.10 1k7k h ARG 183 Ca 0.46 -0.53 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1k7k h ARG 183 Cb 0.36 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1k7k h ARG 183 CO -0.23 1.17 0.31 0.78 -1.51 0.00 0.00 179.97 180.48 1k7k h GLY 184 N 0.74 0.82 1.23 2.80 0.00 -1.63 -0.41 103.07 106.61 1k7k h GLY 184 Ca 0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1k7k h GLY 184 CO 0.11 0.13 -0.00 1.46 0.00 0.00 0.00 176.54 178.25 1k7k h GLN 185 N 0.58 0.93 -0.49 4.80 4.20 -0.98 -1.34 115.11 122.81 1k7k h GLN 185 Ca 0.25 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1k7k h GLN 185 Cb 0.15 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1k7k h GLN 185 CO -0.17 0.92 -0.10 0.00 -0.67 0.00 0.00 178.83 178.82 1k7k h ALA 186 N 1.13 0.67 -0.78 3.87 0.00 -0.70 -2.07 119.26 121.38 1k7k h ALA 186 Ca 0.16 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1k7k h ALA 186 Cb 0.51 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1k7k h ALA 186 CO 0.03 0.56 0.36 -0.07 0.00 0.00 0.00 179.25 180.12 1k7k h LEU 187 N 0.78 1.03 -0.86 0.00 3.38 -0.91 -1.00 115.31 117.74 1k7k h LEU 187 Ca 0.13 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1k7k h LEU 187 Cb 0.65 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1k7k h LEU 187 CO 0.04 0.89 0.56 0.11 0.09 0.00 0.00 178.44 180.14 1k7k h LYS 188 N 1.10 1.10 -0.31 1.13 1.57 -1.03 0.26 116.57 120.39 1k7k h LYS 188 Ca 0.26 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1k7k h LYS 188 Cb 0.14 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1k7k h LYS 188 CO -0.03 0.73 0.18 -0.07 -0.57 0.00 0.00 179.45 179.69 1k7k h LEU 189 N 1.14 0.38 0.98 2.94 3.38 -1.07 0.16 115.31 123.21 1k7k h LEU 189 Ca 0.32 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1k7k h LEU 189 Cb -0.10 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.56 1k7k h LEU 189 CO -0.08 0.34 -0.49 0.25 0.09 0.00 0.00 178.44 178.55 1k7k h LEU 190 N 0.40 -1.18 -0.62 1.67 5.85 -0.25 -0.97 115.31 120.21 1k7k h LEU 190 Ca 0.11 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1k7k h LEU 190 Cb 0.03 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1k7k h LEU 190 CO -0.02 -0.82 0.36 0.25 -0.34 0.00 0.00 178.44 177.88 1k7k h LEU 191 N -1.34 0.57 -0.65 2.25 5.85 -0.50 0.76 115.31 122.25 1k7k h LEU 191 Ca -0.13 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 1k7k h LEU 191 Cb 1.03 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1k7k h LEU 191 CO 0.21 0.39 0.02 0.44 -0.34 0.00 0.00 178.44 179.15 1k7k h ASP 192 N 0.70 1.04 0.19 1.25 3.45 -0.75 -3.13 116.42 119.18 1k7k h ASP 192 Ca 0.26 -0.29 -0.12 0.00 0.43 0.00 0.00 57.03 57.31 1k7k h ASP 192 Cb 0.08 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 1k7k h ASP 192 CO -0.13 1.08 -0.46 0.00 -1.57 0.00 0.00 179.24 178.16 1k7k h ALA 193 N 1.03 0.97 0.00 3.45 0.00 -0.00 -1.91 119.26 122.79 1k7k h ALA 193 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1k7k h ALA 193 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1k7k h ALA 193 CO 0.03 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.20 1k7k n LEU 194 N -3.99 2.44 0.00 0.00 4.77 0.25 -2.34 117.00 118.14 1k7k n LEU 194 Ca -0.02 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 1k7k n LEU 194 Cb 0.53 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1k7k n LEU 194 CO 0.43 0.46 0.00 0.54 -1.33 0.00 0.00 177.39 177.49 1k7k n ARG 195 N 1.72 0.18 -4.59 3.23 1.74 -0.73 -5.01 116.66 113.19 1k7k n ARG 195 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1k7k n ARG 195 Cb 0.23 -0.02 -0.08 0.00 -1.02 0.00 0.00 32.46 31.57 1k7k n ARG 195 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1k7k s ASN 196 N -0.36 3.23 0.00 0.55 0.01 -0.99 -5.09 114.94 112.30 1k7k s ASN 196 Ca 0.00 -1.64 0.00 0.00 -0.71 0.00 0.00 52.86 50.51 1k7k s ASN 196 Cb 0.00 0.44 0.00 0.00 0.41 0.00 0.00 41.25 42.10 1k7k s ASN 196 CO 0.00 -0.87 0.00 0.61 -1.51 0.00 0.00 177.10 175.33