#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u5k n ARG 2 N 0.00 2.82 -3.98 2.12 1.74 -1.26 -4.95 116.66 113.15 1u5k n ARG 2 Ca 0.00 -2.84 -0.10 0.00 -0.77 0.00 0.00 57.85 54.14 1u5k n ARG 2 Cb 0.00 -1.83 -0.04 0.00 -1.02 0.00 0.00 32.46 29.57 1u5k n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1u5k s SER 3 N -2.00 0.11 -0.13 0.55 1.04 -1.26 -5.11 113.70 106.91 1u5k s SER 3 Ca 0.42 -1.05 -0.25 0.00 0.48 0.00 0.00 55.95 55.55 1u5k s SER 3 Cb 0.34 0.65 -0.22 0.00 0.10 0.00 0.00 66.02 66.88 1u5k s SER 3 CO 0.08 -1.26 0.67 0.03 0.98 0.00 0.00 173.24 173.75 1u5k h ARG 4 N 2.17 -0.00 -6.12 4.02 2.47 -1.93 -3.43 114.38 111.56 1u5k h ARG 4 Ca -0.27 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.80 1u5k h ARG 4 Cb 1.25 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.46 1u5k h ARG 4 CO 0.36 0.85 -0.61 0.99 0.56 0.00 0.00 179.97 182.12 1u5k s THR 5 N -2.15 4.42 -0.24 2.04 2.01 -1.26 0.10 115.64 120.55 1u5k s THR 5 Ca -0.16 -0.60 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 1u5k s THR 5 Cb -0.03 -3.03 0.10 0.00 0.01 0.00 0.00 72.50 69.56 1u5k s THR 5 CO 0.59 0.30 0.89 0.00 -0.69 0.00 0.00 174.62 175.71 1u5k s ALA 6 N -1.20 -1.88 -0.22 7.40 0.00 -0.74 -5.01 121.76 120.11 1u5k s ALA 6 Ca 0.23 1.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.92 1u5k s ALA 6 Cb -0.12 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 1u5k s ALA 6 CO 0.14 -0.29 0.17 -0.80 0.00 0.00 0.00 175.76 174.98 1u5k s ASN 7 N -0.03 6.19 0.06 0.00 0.01 -1.26 -1.09 114.94 118.82 1u5k s ASN 7 Ca 0.00 0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.37 1u5k s ASN 7 Cb -0.04 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.48 1u5k s ASN 7 CO -0.01 0.10 -0.07 -0.13 -1.51 0.00 0.00 177.10 175.49 1u5k s ARG 8 N 0.76 0.64 -0.03 -0.60 1.81 -0.27 -5.01 118.95 116.25 1u5k s ARG 8 Ca 0.09 -1.01 -0.01 0.00 -1.72 0.00 0.00 55.73 53.08 1u5k s ARG 8 Cb -0.13 -0.19 0.03 0.00 -0.45 0.00 0.00 34.95 34.22 1u5k s ARG 8 CO 0.02 0.00 0.06 0.45 -0.68 0.00 0.00 175.30 175.16 1u5k s SER 9 N -2.25 0.02 0.00 0.23 0.15 -1.26 -0.56 113.70 110.03 1u5k s SER 9 Ca -0.01 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1u5k s SER 9 Cb -0.03 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1u5k s SER 9 CO -0.03 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1u5k n GLY 10 N 4.19 1.18 3.39 9.45 0.00 -0.48 -4.06 105.19 118.88 1u5k n GLY 10 Ca -0.28 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 1u5k n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u5k s ILE 11 N -2.24 3.37 -0.12 -0.61 1.01 -0.05 0.11 121.20 122.68 1u5k s ILE 11 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 1u5k s ILE 11 Cb 0.00 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 1u5k s ILE 11 CO 0.00 0.49 1.79 -0.69 0.00 0.00 0.00 174.94 176.53 1u5k s VAL 12 N 0.64 3.42 -1.40 2.92 1.01 -0.54 -1.30 120.40 125.15 1u5k s VAL 12 Ca -0.05 0.48 0.16 0.00 0.00 0.00 0.00 61.98 62.58 1u5k s VAL 12 Cb -0.15 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1u5k s VAL 12 CO 0.03 -0.12 0.84 2.30 0.00 0.00 0.00 175.10 178.14 1u5k n ILE 13 N 6.16 0.00 -3.65 2.22 -5.35 0.40 -0.56 119.36 118.58 1u5k n ILE 13 Ca 0.20 -0.31 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 1u5k n ILE 13 Cb 0.44 1.17 -0.08 0.00 -1.74 0.00 0.00 39.64 39.43 1u5k n ILE 13 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1u5k s ARG 14 N -1.98 0.76 -0.15 6.28 3.52 -1.17 -4.73 118.95 121.48 1u5k s ARG 14 Ca 0.13 0.79 -0.08 0.00 -0.13 0.00 0.00 55.73 56.43 1u5k s ARG 14 Cb 0.13 0.37 0.06 0.00 -1.56 0.00 0.00 34.95 33.94 1u5k s ARG 14 CO 0.44 -0.11 0.35 0.50 -0.81 0.00 0.00 175.30 175.67 1u5k s ARG 15 N 0.14 0.32 -0.02 5.12 3.52 -1.26 -1.88 118.95 124.90 1u5k s ARG 15 Ca -0.01 0.70 0.00 0.00 -0.13 0.00 0.00 55.73 56.29 1u5k s ARG 15 Cb -0.04 -0.05 0.03 0.00 -1.56 0.00 0.00 34.95 33.33 1u5k s ARG 15 CO 0.02 -0.16 0.02 0.50 -0.81 0.00 0.00 175.30 174.87 1u5k s ARG 16 N 1.39 0.06 -0.26 5.12 3.52 -0.72 -5.01 118.95 123.04 1u5k s ARG 16 Ca -0.09 0.16 -0.08 0.00 -0.13 0.00 0.00 55.73 55.58 1u5k s ARG 16 Cb -0.09 -0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 32.95 1u5k s ARG 16 CO -0.11 -0.16 0.11 0.08 -0.81 0.00 0.00 175.30 174.41 1u5k s VAL 17 N 1.05 4.62 0.52 7.11 1.01 -1.26 -0.66 120.40 132.79 1u5k s VAL 17 Ca -0.09 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 1u5k s VAL 17 Cb -0.13 -3.18 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 1u5k s VAL 17 CO -0.03 0.31 1.03 0.28 0.00 0.00 0.00 175.10 176.69 1u5k s THR 18 N 1.66 3.98 0.56 3.92 -1.32 -0.34 -4.90 115.64 119.20 1u5k s THR 18 Ca 0.07 1.08 0.31 0.00 -1.21 0.00 0.00 61.69 61.93 1u5k s THR 18 Cb -0.15 -3.49 0.45 0.00 -1.51 0.00 0.00 72.50 67.80 1u5k s THR 18 CO 0.06 -0.41 1.86 -0.65 -2.21 0.00 0.00 174.62 173.27 1u5k h PRO 19 N 1.10 0.00 0.00 7.08 0.11 -1.99 0.24 132.00 138.54 1u5k h PRO 19 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u5k h PRO 19 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u5k h PRO 19 CO 0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 1u5k n ALA 20 N -2.58 2.31 -0.23 -0.75 0.00 -1.26 -4.92 120.51 113.09 1u5k n ALA 20 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1u5k n ALA 20 Cb 0.91 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1u5k n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u5k n GLY 21 N 0.97 0.77 3.73 0.00 0.00 0.85 -4.83 105.19 106.68 1u5k n GLY 21 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1u5k n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u5k s ASP 22 N -2.44 7.30 -0.32 1.61 1.01 -1.26 -3.74 116.67 118.84 1u5k s ASP 22 Ca 0.00 1.57 -0.21 0.00 0.71 0.00 0.00 52.55 54.61 1u5k s ASP 22 Cb 0.00 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 1u5k s ASP 22 CO 0.00 -0.10 0.68 -0.63 0.21 0.00 0.00 175.17 175.33 1u5k s ILE 23 N 0.36 4.88 -0.18 0.77 1.01 -0.72 -1.19 121.20 126.13 1u5k s ILE 23 Ca 0.44 0.87 -0.05 0.00 0.00 0.00 0.00 60.65 61.91 1u5k s ILE 23 Cb -0.21 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1u5k s ILE 23 CO 0.26 -0.22 0.00 -0.63 0.00 0.00 0.00 174.94 174.34 1u5k s ILE 24 N 2.74 4.11 0.06 2.92 1.01 0.17 -0.41 121.20 131.80 1u5k s ILE 24 Ca 0.27 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1u5k s ILE 24 Cb -0.14 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1u5k s ILE 24 CO 0.13 0.46 -0.12 0.68 0.00 0.00 0.00 174.94 176.09 1u5k s VAL 25 N 0.65 0.90 -0.13 2.92 -7.23 -0.07 -1.75 120.40 115.68 1u5k s VAL 25 Ca -0.00 -1.25 -0.03 0.00 -1.81 0.00 0.00 61.98 58.89 1u5k s VAL 25 Cb -0.14 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 1u5k s VAL 25 CO 0.02 -0.30 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.59 1u5k s THR 26 N -1.39 4.02 -0.02 5.32 2.01 -0.79 -0.76 115.64 124.03 1u5k s THR 26 Ca -0.04 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.67 1u5k s THR 26 Cb -0.10 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1u5k s THR 26 CO 0.01 0.53 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.56 1u5k s LEU 27 N -0.07 2.70 -0.17 4.42 1.02 0.34 -0.45 118.68 126.47 1u5k s LEU 27 Ca 0.02 -0.26 -0.15 0.00 0.02 0.00 0.00 54.13 53.77 1u5k s LEU 27 Cb -0.13 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 1u5k s LEU 27 CO 0.02 0.32 0.35 -0.76 0.02 0.00 0.00 176.35 176.30 1u5k s LEU 28 N -0.94 4.22 0.23 1.79 1.43 -0.42 -0.56 118.68 124.43 1u5k s LEU 28 Ca 0.13 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 1u5k s LEU 28 Cb -0.11 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 1u5k s LEU 28 CO 0.02 0.03 -0.03 0.42 0.23 0.00 0.00 176.35 177.02 1u5k s THR 29 N 0.76 1.22 0.61 5.49 -4.23 -0.69 -0.87 115.64 117.92 1u5k s THR 29 Ca 0.18 -2.06 0.30 0.00 -1.18 0.00 0.00 61.69 58.93 1u5k s THR 29 Cb -0.14 -2.32 0.36 0.00 1.34 0.00 0.00 72.50 71.75 1u5k s THR 29 CO 0.06 -0.37 2.08 -0.65 -0.54 0.00 0.00 174.62 175.20 1u5k h PRO 30 N 2.45 0.00 -0.66 3.99 0.11 -1.86 -1.64 132.00 134.39 1u5k h PRO 30 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1u5k h PRO 30 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1u5k h PRO 30 CO 0.65 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.48 1u5k n GLN 31 N -3.60 2.60 0.00 1.05 6.02 -1.26 -2.85 117.38 119.35 1u5k n GLN 31 Ca 0.01 -2.49 0.00 0.00 -0.01 0.00 0.00 57.00 54.52 1u5k n GLN 31 Cb 0.35 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1u5k n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u5k n GLY 32 N 1.60 0.53 3.77 1.08 0.00 -0.62 -4.96 105.19 106.59 1u5k n GLY 32 Ca 0.23 -2.32 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 1u5k n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u5k s LYS 33 N -0.55 4.31 -0.09 1.61 1.02 -1.26 -1.71 119.74 123.07 1u5k s LYS 33 Ca 0.00 1.71 -0.02 0.00 0.02 0.00 0.00 55.97 57.67 1u5k s LYS 33 Cb 0.00 -2.82 0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1u5k s LYS 33 CO 0.00 -0.06 0.05 -1.17 -0.92 0.00 0.00 175.35 173.25 1u5k s LEU 34 N -2.16 0.39 -0.04 3.17 2.96 0.28 -4.95 118.68 118.32 1u5k s LEU 34 Ca 0.53 -0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 54.14 1u5k s LEU 34 Cb -0.28 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.08 1u5k s LEU 34 CO 0.35 -0.26 0.33 -0.54 -1.32 0.00 0.00 176.35 174.92 1u5k s LYS 35 N 2.08 3.82 0.18 1.98 1.02 -1.26 -0.50 119.74 127.05 1u5k s LYS 35 Ca 0.04 0.25 -0.16 0.00 0.02 0.00 0.00 55.97 56.12 1u5k s LYS 35 Cb -0.13 -3.23 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 1u5k s LYS 35 CO -0.05 0.68 0.46 0.00 -0.92 0.00 0.00 175.35 175.53 1u5k s ALA 36 N -0.96 -0.78 -0.05 5.17 0.00 0.06 -3.59 121.76 121.61 1u5k s ALA 36 Ca 0.21 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1u5k s ALA 36 Cb -0.15 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1u5k s ALA 36 CO 0.10 -0.75 -0.09 -1.50 0.00 0.00 0.00 175.76 173.52 1u5k s ILE 37 N -3.88 0.87 -0.36 0.00 2.07 -0.12 -0.90 121.20 118.88 1u5k s ILE 37 Ca 0.10 -0.34 -0.10 0.00 -1.41 0.00 0.00 60.65 58.90 1u5k s ILE 37 Cb 0.00 -0.81 0.03 0.00 0.13 0.00 0.00 42.46 41.80 1u5k s ILE 37 CO -0.04 0.29 0.19 0.00 -1.91 0.00 0.00 174.94 173.47 1u5k s ALA 38 N 0.66 3.24 -0.46 1.50 0.00 0.45 -0.10 121.76 127.06 1u5k s ALA 38 Ca -0.12 -1.70 -0.29 0.00 0.00 0.00 0.00 51.96 49.86 1u5k s ALA 38 Cb -0.14 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.47 1u5k s ALA 38 CO 0.02 -1.34 1.26 1.03 0.00 0.00 0.00 175.76 176.73 1u5k s ARG 39 N 1.54 3.64 5.73 0.00 0.52 -1.26 -1.76 118.95 127.35 1u5k s ARG 39 Ca 0.02 0.70 0.00 0.00 -0.52 0.00 0.00 55.73 55.92 1u5k s ARG 39 Cb -0.19 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.31 1u5k s ARG 39 CO 0.06 -1.50 0.00 0.41 0.02 0.00 0.00 175.30 174.30 1u5k n GLY 40 N 4.98 0.30 2.23 -3.53 0.00 -1.25 -5.00 105.19 102.92 1u5k n GLY 40 Ca 0.14 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1u5k n GLY 40 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u5k n PRO 45 N 11.63 0.00 -1.52 1.61 -0.06 -1.26 -4.23 135.00 141.17 1u5k n PRO 45 Ca 0.00 0.00 -0.33 0.00 -0.06 0.00 0.00 63.50 63.11 1u5k n PRO 45 Cb 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 33.50 33.52 1u5k n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 175.50 174.93 1u5k s LEU 46 N 0.00 3.31 0.56 1.53 1.02 -1.26 -4.94 118.68 118.90 1u5k s LEU 46 Ca 0.00 2.19 0.35 0.00 0.02 0.00 0.00 54.13 56.69 1u5k s LEU 46 Cb 0.00 -4.57 1.46 0.00 0.02 0.00 0.00 46.19 43.09 1u5k s LEU 46 CO 0.00 -2.06 2.02 -1.28 0.02 0.00 0.00 176.35 175.05 1u5k h SER 47 N -0.27 0.00 -3.92 2.29 0.87 -1.93 -3.43 113.55 107.15 1u5k h SER 47 Ca -0.47 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 59.77 1u5k h SER 47 Cb 1.27 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.95 1u5k h SER 47 CO 0.51 0.00 -0.75 -0.55 -0.53 0.00 0.00 176.83 175.51 1u5k s SER 48 N -5.66 0.59 -0.05 6.23 0.15 -0.99 -4.65 113.70 109.33 1u5k s SER 48 Ca 0.01 -0.10 0.09 0.00 0.70 0.00 0.00 55.95 56.64 1u5k s SER 48 Cb 0.09 -0.06 0.35 0.00 -1.71 0.00 0.00 66.02 64.69 1u5k s SER 48 CO 0.53 0.05 1.20 -1.54 1.20 0.00 0.00 173.24 174.68 1u5k n SER 49 N 2.91 2.50 -3.74 5.45 3.41 -1.26 -4.86 113.62 118.04 1u5k n SER 49 Ca -0.13 -2.19 -0.22 0.00 -0.26 0.00 0.00 58.87 56.07 1u5k n SER 49 Cb 0.58 -0.39 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1u5k n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u5k n LEU 50 N 0.45 -2.98 -4.77 1.04 4.77 -1.26 -4.93 117.00 109.32 1u5k n LEU 50 Ca 0.13 -0.86 -0.36 0.00 -0.03 0.00 0.00 56.01 54.89 1u5k n LEU 50 Cb 0.47 -2.58 0.01 0.00 -2.33 0.00 0.00 43.42 38.99 1u5k n LEU 50 CO 0.11 0.41 0.82 0.21 -1.33 0.00 0.00 177.39 177.62 1u5k s ASN 51 N -4.31 5.64 0.32 -1.43 3.04 -1.26 -4.93 114.94 112.01 1u5k s ASN 51 Ca 0.03 2.30 -0.28 0.00 0.04 0.00 0.00 52.86 54.96 1u5k s ASN 51 Cb -0.01 -2.59 -0.13 0.00 -1.54 0.00 0.00 41.25 36.98 1u5k s ASN 51 CO 0.83 -1.28 1.09 -0.11 -3.04 0.00 0.00 177.10 174.59 1u5k n LEU 52 N -1.18 2.40 0.00 3.21 0.00 -1.26 -1.66 117.00 118.50 1u5k n LEU 52 Ca 0.11 1.18 0.00 0.00 0.00 0.00 0.00 56.01 57.30 1u5k n LEU 52 Cb 0.50 -1.35 0.00 0.00 0.00 0.00 0.00 43.42 42.56 1u5k n LEU 52 CO 0.45 -1.13 0.00 0.49 0.00 0.00 0.00 177.39 177.20 1u5k n PHE 53 N 0.19 0.00 -2.61 1.96 0.99 0.27 -4.97 117.46 113.29 1u5k n PHE 53 Ca 0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.15 1u5k n PHE 53 Cb 0.34 -1.19 -0.05 0.00 -1.00 0.00 0.00 39.48 37.58 1u5k n PHE 53 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1u5k s HIS 54 N -1.66 3.53 -0.35 1.38 3.76 -0.66 -4.71 115.29 116.57 1u5k s HIS 54 Ca 0.00 1.72 -0.21 0.00 -0.15 0.00 0.00 55.06 56.42 1u5k s HIS 54 Cb 0.00 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 30.60 1u5k s HIS 54 CO 0.00 -0.27 0.68 -1.58 -0.85 0.00 0.00 174.74 172.72 1u5k s HIS 55 N -1.48 3.15 0.10 1.40 2.46 -0.39 -1.46 115.29 119.06 1u5k s HIS 55 Ca 0.51 0.43 0.08 0.00 0.47 0.00 0.00 55.06 56.55 1u5k s HIS 55 Cb -0.24 -3.20 -0.03 0.00 -0.13 0.00 0.00 32.58 28.98 1u5k s HIS 55 CO 0.30 -0.64 -0.20 0.14 -2.47 0.00 0.00 174.74 171.87 1u5k s VAL 56 N 2.82 1.65 -0.17 0.89 -7.23 0.12 -0.35 120.40 118.11 1u5k s VAL 56 Ca 0.27 -1.53 -0.07 0.00 -1.81 0.00 0.00 61.98 58.83 1u5k s VAL 56 Cb -0.14 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 1u5k s VAL 56 CO 0.15 -0.09 0.05 -0.83 -0.31 0.00 0.00 175.10 174.07 1u5k s GLY 57 N -1.92 1.90 0.13 2.32 0.00 -0.20 -1.38 107.32 108.17 1u5k s GLY 57 Ca 0.06 -0.75 0.07 0.00 0.00 0.00 0.00 44.72 44.10 1u5k s GLY 57 CO 0.04 0.01 -0.17 -1.34 0.00 0.00 0.00 173.10 171.64 1u5k s VAL 58 N 0.27 1.57 -0.19 1.40 -7.23 0.28 -0.47 120.40 116.03 1u5k s VAL 58 Ca 0.03 -1.72 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 1u5k s VAL 58 Cb -0.12 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 1u5k s VAL 58 CO 0.00 -0.29 -0.08 -1.58 -0.31 0.00 0.00 175.10 172.85 1u5k s GLN 59 N -2.47 3.37 0.05 4.82 0.74 -0.54 -1.12 119.66 124.52 1u5k s GLN 59 Ca 0.10 -0.65 0.08 0.00 0.05 0.00 0.00 55.36 54.94 1u5k s GLN 59 Cb -0.07 -2.88 -0.03 0.00 1.10 0.00 0.00 33.01 31.13 1u5k s GLN 59 CO 0.04 -0.07 -0.20 0.14 -0.55 0.00 0.00 175.29 174.65 1u5k s VAL 60 N 1.13 2.66 -0.16 1.34 -7.23 -0.25 -0.71 120.40 117.18 1u5k s VAL 60 Ca 0.01 -1.28 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1u5k s VAL 60 Cb -0.14 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1u5k s VAL 60 CO -0.02 0.30 -0.01 -0.47 -0.31 0.00 0.00 175.10 174.60 1u5k s TYR 61 N -0.94 3.09 -0.08 2.82 5.04 -0.16 -1.80 117.35 125.32 1u5k s TYR 61 Ca 0.14 -0.18 -0.02 0.00 -2.44 0.00 0.00 57.07 54.57 1u5k s TYR 61 Cb -0.10 -1.98 0.04 0.00 0.35 0.00 0.00 41.96 40.27 1u5k s TYR 61 CO 0.05 0.04 0.05 -1.14 -1.34 0.00 0.00 175.55 173.22 1u5k s GLN 62 N 0.28 0.16 0.37 4.97 0.74 0.28 -0.80 119.66 125.67 1u5k s GLN 62 Ca -0.01 0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.62 1u5k s GLN 62 Cb -0.14 -0.95 0.04 0.00 1.10 0.00 0.00 33.01 33.06 1u5k s GLN 62 CO 0.02 -0.40 0.30 0.41 -0.55 0.00 0.00 175.29 175.07 1u5k n GLY 63 N 5.24 2.76 0.00 2.59 0.00 -1.26 -4.17 105.19 110.36 1u5k n GLY 63 Ca -0.05 -2.25 0.10 0.00 0.00 0.00 0.00 46.02 43.81 1u5k n GLY 63 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u5k n PRO 64 N -1.42 0.01 -0.04 1.61 -0.04 -1.26 -2.68 135.00 131.17 1u5k n PRO 64 Ca -0.00 0.17 0.10 0.00 -0.04 0.00 0.00 63.50 63.72 1u5k n PRO 64 Cb 0.42 -1.51 0.11 0.00 -0.04 0.00 0.00 33.50 32.48 1u5k n PRO 64 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1u5k n HIS 65 N -1.52 0.11 -4.31 0.54 8.25 -1.26 -4.93 115.22 112.10 1u5k n HIS 65 Ca 0.05 -0.07 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 1u5k n HIS 65 Cb 0.23 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.20 1u5k n HIS 65 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1u5k s ASN 66 N -1.57 4.18 0.16 0.41 6.03 -1.09 -4.99 114.94 118.06 1u5k s ASN 66 Ca 0.26 -0.35 -0.20 0.00 -1.03 0.00 0.00 52.86 51.54 1u5k s ASN 66 Cb 0.17 -1.68 0.06 0.00 -3.03 0.00 0.00 41.25 36.77 1u5k s ASN 66 CO 0.25 0.08 1.65 -2.24 -2.03 0.00 0.00 177.10 174.81 1u5k h ASP 67 N 7.39 -0.56 -3.80 3.54 2.03 -1.91 -3.44 116.42 119.66 1u5k h ASP 67 Ca -0.34 0.13 -0.68 0.00 -0.73 0.00 0.00 57.03 55.41 1u5k h ASP 67 Cb 1.18 0.30 -0.20 0.00 -0.83 0.00 0.00 39.33 39.79 1u5k h ASP 67 CO 0.59 -0.20 -0.78 -0.76 -1.03 0.00 0.00 179.24 177.06 1u5k s LEU 68 N -10.56 2.78 0.36 0.15 1.43 -1.26 -5.11 118.68 106.47 1u5k s LEU 68 Ca -0.14 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.27 1u5k s LEU 68 Cb 0.13 -1.62 -0.11 0.00 0.03 0.00 0.00 46.19 44.62 1u5k s LEU 68 CO 0.69 0.23 1.49 0.00 0.23 0.00 0.00 176.35 178.99 1u5k n ALA 69 N 1.26 2.33 -2.89 4.21 0.00 -1.24 -4.82 120.51 119.37 1u5k n ALA 69 Ca -0.15 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 1u5k n ALA 69 Cb 0.52 -2.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.45 1u5k n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u5k s SER 70 N -0.06 5.42 -0.14 0.00 0.15 0.02 -0.94 113.70 118.15 1u5k s SER 70 Ca 0.55 -0.03 -0.27 0.00 0.70 0.00 0.00 55.95 56.90 1u5k s SER 70 Cb -0.48 -1.94 -0.01 0.00 -1.71 0.00 0.00 66.02 61.87 1u5k s SER 70 CO 0.62 0.10 0.91 -0.69 1.20 0.00 0.00 173.24 175.37 1u5k s VAL 71 N 0.81 4.84 -0.15 4.45 1.01 0.86 -0.99 120.40 131.23 1u5k s VAL 71 Ca 0.03 1.82 0.11 0.00 0.00 0.00 0.00 61.98 63.94 1u5k s VAL 71 Cb -0.14 -4.21 -0.17 0.00 0.00 0.00 0.00 36.38 31.86 1u5k s VAL 71 CO 0.02 0.02 0.02 0.29 0.00 0.00 0.00 175.10 175.46 1u5k n LYS 72 N 5.08 1.44 -3.94 2.72 4.76 0.11 -4.59 118.16 123.74 1u5k n LYS 72 Ca 0.06 0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.41 1u5k n LYS 72 Cb 0.49 -1.38 -0.11 0.00 -1.84 0.00 0.00 35.03 32.19 1u5k n LYS 72 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1u5k s GLN 73 N -2.36 0.32 -0.17 1.97 -0.21 -1.14 -4.98 119.66 113.10 1u5k s GLN 73 Ca -0.10 -0.48 -0.09 0.00 0.02 0.00 0.00 55.36 54.72 1u5k s GLN 73 Cb 0.05 0.12 0.06 0.00 1.00 0.00 0.00 33.01 34.24 1u5k s GLN 73 CO 0.58 -0.06 0.40 0.00 -2.12 0.00 0.00 175.29 174.08 1u5k s ALA 74 N -1.26 -1.03 0.05 6.09 0.00 -1.26 -1.47 121.76 122.89 1u5k s ALA 74 Ca -0.14 1.48 0.07 0.00 0.00 0.00 0.00 51.96 53.38 1u5k s ALA 74 Cb -0.08 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 1u5k s ALA 74 CO -0.00 -0.35 -0.20 0.14 0.00 0.00 0.00 175.76 175.35 1u5k s VAL 75 N 1.61 1.58 -0.11 0.00 -7.23 0.38 -2.33 120.40 114.29 1u5k s VAL 75 Ca -0.08 -1.20 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 1u5k s VAL 75 Cb -0.09 -1.39 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 1u5k s VAL 75 CO -0.12 0.15 1.17 -0.22 -0.31 0.00 0.00 175.10 175.76 1u5k s LEU 76 N -1.25 4.22 -0.16 1.32 2.96 -1.26 -1.03 118.68 123.48 1u5k s LEU 76 Ca 0.06 1.68 0.13 0.00 -0.22 0.00 0.00 54.13 55.78 1u5k s LEU 76 Cb -0.09 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.82 1u5k s LEU 76 CO 0.02 -0.62 0.20 -0.62 -1.32 0.00 0.00 176.35 174.01 1u5k n GLU 77 N 5.69 0.67 -3.63 1.98 1.02 0.52 -4.90 120.64 122.00 1u5k n GLU 77 Ca 0.12 0.11 -0.02 0.00 -0.02 0.00 0.00 57.16 57.34 1u5k n GLU 77 Cb 0.46 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 1u5k n GLU 77 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1u5k s GLY 78 N -5.54 -0.25 0.05 0.62 0.00 -0.90 -5.00 107.32 96.30 1u5k s GLY 78 Ca -0.13 1.74 -0.05 0.00 0.00 0.00 0.00 44.72 46.29 1u5k s GLY 78 CO 0.79 0.57 0.07 0.00 0.00 0.00 0.00 173.10 174.53 1u5k s ALA 79 N -2.15 0.06 -0.62 3.20 0.00 -1.26 -1.26 121.76 119.72 1u5k s ALA 79 Ca 0.11 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 1u5k s ALA 79 Cb -0.00 0.28 0.16 0.00 0.00 0.00 0.00 23.12 23.56 1u5k s ALA 79 CO -0.03 -0.35 0.43 -0.51 0.00 0.00 0.00 175.76 175.29 1u5k s LEU 80 N -2.38 5.05 0.54 0.00 1.43 -1.26 -4.99 118.68 117.07 1u5k s LEU 80 Ca -0.01 -2.97 0.21 0.00 -1.03 0.00 0.00 54.13 50.33 1u5k s LEU 80 Cb 0.01 -1.81 1.40 0.00 0.03 0.00 0.00 46.19 45.83 1u5k s LEU 80 CO -0.07 -0.32 2.11 1.55 0.23 0.00 0.00 176.35 179.85 1u5k h PRO 81 N 6.81 0.00 0.00 1.29 0.13 -1.99 -2.06 132.00 136.18 1u5k h PRO 81 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1u5k h PRO 81 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1u5k h PRO 81 CO 0.71 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.73 1u5k n THR 82 N -4.34 0.53 0.32 1.56 -2.24 -1.26 -1.34 114.28 107.51 1u5k n THR 82 Ca 0.01 0.13 0.03 0.00 -2.27 0.00 0.00 64.05 61.96 1u5k n THR 82 Cb 0.26 -0.80 0.17 0.00 -2.10 0.00 0.00 70.33 67.86 1u5k n THR 82 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1u5k n LEU 83 N -1.39 0.00 0.11 3.22 4.77 -0.77 -1.87 117.00 121.06 1u5k n LEU 83 Ca 0.07 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1u5k n LEU 83 Cb 0.19 -0.32 0.45 0.00 -2.33 0.00 0.00 43.42 41.41 1u5k n LEU 83 CO 0.17 -0.25 0.87 0.00 -1.33 0.00 0.00 177.39 176.85 1u5k n ALA 84 N -1.32 1.99 -2.56 -1.18 0.00 -0.45 -3.44 120.51 113.55 1u5k n ALA 84 Ca 0.03 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1u5k n ALA 84 Cb 0.06 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 1u5k n ALA 84 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1u5k s GLU 85 N -3.19 4.41 0.27 0.00 2.02 -0.78 -4.90 118.70 116.52 1u5k s GLU 85 Ca 0.08 1.56 -0.00 0.00 0.02 0.00 0.00 54.97 56.63 1u5k s GLU 85 Cb 0.11 -3.52 0.60 0.00 0.10 0.00 0.00 34.13 31.42 1u5k s GLU 85 CO 0.49 -0.34 1.70 -1.35 0.02 0.00 0.00 175.26 175.78 1u5k h PRO 86 N 7.20 0.35 -0.46 0.39 0.11 -1.89 0.98 132.00 138.67 1u5k h PRO 86 Ca -0.35 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 1u5k h PRO 86 Cb 1.17 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1u5k h PRO 86 CO 0.85 0.23 -0.19 1.49 -0.21 0.00 0.00 178.00 180.17 1u5k h GLU 87 N 0.36 0.95 -0.29 1.05 4.81 -1.94 -1.78 114.58 117.74 1u5k h GLU 87 Ca 0.49 -0.40 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1u5k h GLU 87 Cb 0.88 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1u5k h GLU 87 CO -0.51 1.07 -0.38 0.00 -0.73 0.00 0.00 179.01 178.45 1u5k h ARG 88 N 0.79 0.68 -0.66 1.92 3.08 -1.60 -2.81 114.38 115.78 1u5k h ARG 88 Ca 0.11 -0.34 0.02 0.00 0.07 0.00 0.00 59.98 59.83 1u5k h ARG 88 Cb 0.77 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 1u5k h ARG 88 CO 0.06 0.95 0.42 -0.92 -1.07 0.00 0.00 179.97 179.42 1u5k h TYR 89 N 0.56 0.80 -0.51 3.04 3.20 -0.72 -1.39 116.97 121.96 1u5k h TYR 89 Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1u5k h TYR 89 Cb 0.91 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1u5k h TYR 89 CO 0.04 0.48 0.19 0.00 -1.64 0.00 0.00 178.16 177.23 1u5k h ALA 90 N 1.27 0.66 -0.24 1.82 0.00 -1.16 -0.05 119.26 121.56 1u5k h ALA 90 Ca 0.26 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1u5k h ALA 90 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1u5k h ALA 90 CO -0.08 0.29 -0.32 0.74 0.00 0.00 0.00 179.25 179.87 1u5k h PHE 91 N 0.68 0.57 -0.54 0.00 -1.00 -1.30 -1.22 116.94 114.13 1u5k h PHE 91 Ca 0.17 -0.14 -0.08 0.00 2.81 0.00 0.00 57.97 60.73 1u5k h PHE 91 Cb 0.22 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1u5k h PHE 91 CO 0.01 0.76 0.03 0.00 -1.61 0.00 0.00 178.31 177.50 1u5k h ALA 92 N 1.23 0.73 -0.88 2.45 0.00 -0.73 0.06 119.26 122.12 1u5k h ALA 92 Ca 0.05 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1u5k h ALA 92 Cb 0.77 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1u5k h ALA 92 CO 0.06 0.53 0.58 1.25 0.00 0.00 0.00 179.25 181.67 1u5k h HIS 93 N 0.82 1.10 -0.32 0.00 6.17 -0.89 -0.94 115.15 121.10 1u5k h HIS 93 Ca 0.16 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.25 1u5k h HIS 93 Cb 0.50 -0.37 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 1u5k h HIS 93 CO 0.04 0.69 0.13 1.25 0.71 0.00 0.00 177.93 180.75 1u5k h LEU 94 N 1.18 0.44 -0.35 0.26 5.85 -0.54 -1.58 115.31 120.57 1u5k h LEU 94 Ca 0.33 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1u5k h LEU 94 Cb -0.12 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1u5k h LEU 94 CO -0.08 0.48 0.23 0.24 -0.34 0.00 0.00 178.44 178.97 1u5k h MET 95 N 0.37 0.45 0.03 1.25 2.86 -0.64 0.49 114.93 119.75 1u5k h MET 95 Ca 0.11 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1u5k h MET 95 Cb 0.18 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1u5k h MET 95 CO -0.01 0.30 -0.15 0.00 1.06 0.00 0.00 176.91 178.11 1u5k h ALA 96 N 1.14 -0.20 -0.75 6.32 0.00 -1.00 -0.60 119.26 124.16 1u5k h ALA 96 Ca 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1u5k h ALA 96 Cb -0.04 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1u5k h ALA 96 CO -0.04 -0.65 0.38 0.93 0.00 0.00 0.00 179.25 179.87 1u5k h GLU 97 N -0.27 1.08 -0.09 0.00 4.39 -1.17 -1.31 114.58 117.21 1u5k h GLU 97 Ca 0.04 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.63 1u5k h GLU 97 Cb 0.31 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 1u5k h GLU 97 CO -0.12 0.83 -0.18 0.35 -1.16 0.00 0.00 179.01 178.73 1u5k h PHE 98 N 1.06 -0.46 0.00 4.33 3.57 -0.54 -1.76 116.94 123.14 1u5k h PHE 98 Ca 0.26 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 1u5k h PHE 98 Cb 0.10 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1u5k h PHE 98 CO 0.01 -0.25 -0.44 0.00 -2.23 0.00 0.00 178.31 175.39 1u5k h ALA 99 N 0.75 1.20 -0.18 2.41 0.00 -0.94 0.18 119.26 122.67 1u5k h ALA 99 Ca 0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1u5k h ALA 99 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1u5k h ALA 99 CO -0.23 0.55 -0.03 0.22 0.00 0.00 0.00 179.25 179.75 1u5k h ASP 100 N 0.00 0.33 0.39 0.00 -0.00 -0.70 -2.25 116.42 114.19 1u5k h ASP 100 Ca -0.00 -0.35 -0.15 0.00 -0.00 0.00 0.00 57.03 56.52 1u5k h ASP 100 Cb 0.81 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 40.04 1u5k h ASP 100 CO 0.06 0.61 -0.64 0.00 -0.00 0.00 0.00 179.24 179.27 1u5k h ALA 101 N 0.74 0.80 0.19 -0.78 0.00 -1.22 -3.31 119.26 115.68 1u5k h ALA 101 Ca 0.05 -0.57 -0.31 0.00 0.00 0.00 0.00 54.91 54.08 1u5k h ALA 101 Cb 0.46 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.20 1u5k h ALA 101 CO 0.02 0.75 -1.31 1.25 0.00 0.00 0.00 179.25 179.96 1u5k h LEU 102 N 0.17 0.83 -7.85 0.00 5.85 -0.96 -3.39 115.31 109.97 1u5k h LEU 102 Ca -0.01 -0.88 -0.77 0.00 0.84 0.00 0.00 57.88 57.06 1u5k h LEU 102 Cb 1.16 -0.27 -0.24 0.00 0.37 0.00 0.00 40.66 41.69 1u5k h LEU 102 CO 0.10 1.64 0.33 -0.36 -0.34 0.00 0.00 178.44 179.81 1u5k s PHE 103 N -2.74 3.64 0.00 1.25 0.40 -0.85 -4.86 117.98 114.81 1u5k s PHE 103 Ca -0.10 -1.90 0.00 0.00 -0.60 0.00 0.00 56.93 54.33 1u5k s PHE 103 Cb 0.04 -3.95 0.00 0.00 0.51 0.00 0.00 43.02 39.63 1u5k s PHE 103 CO 0.93 -1.12 0.17 0.00 0.70 0.00 0.00 175.22 175.90 1u5k n GLN 104 N 4.55 0.00 0.00 0.44 0.00 -1.26 -4.82 117.38 116.29 1u5k n GLN 104 Ca 0.18 0.17 0.00 0.00 0.00 0.00 0.00 57.00 57.35 1u5k n GLN 104 Cb 0.47 -0.35 0.00 0.00 0.00 0.00 0.00 30.24 30.36 1u5k n GLN 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1u5k n GLY 106 N -0.64 0.00 0.22 2.61 0.00 -1.26 -4.80 105.19 101.31 1u5k n GLY 106 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1u5k n GLY 106 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1u5k h GLU 107 N 0.11 0.00 -5.74 1.61 -0.00 -1.98 -3.46 114.58 105.11 1u5k h GLU 107 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 59.36 58.74 1u5k h GLU 107 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 28.63 1u5k h GLU 107 CO 0.00 0.00 0.34 0.12 -0.00 0.00 0.00 179.01 179.47 1u5k s PHE 108 N -3.27 3.10 0.53 2.06 5.36 -1.26 -4.94 117.98 119.56 1u5k s PHE 108 Ca 0.06 0.45 0.07 0.00 -0.96 0.00 0.00 56.93 56.56 1u5k s PHE 108 Cb 0.06 -3.41 0.04 0.00 -0.34 0.00 0.00 43.02 39.37 1u5k s PHE 108 CO 0.64 -0.76 0.50 -1.54 -1.46 0.00 0.00 175.22 172.60 1u5k s SER 109 N 1.89 4.81 0.19 6.13 1.04 -1.26 -2.67 113.70 123.83 1u5k s SER 109 Ca 0.30 -1.07 -0.13 0.00 0.48 0.00 0.00 55.95 55.54 1u5k s SER 109 Cb -0.13 0.23 0.12 0.00 0.10 0.00 0.00 66.02 66.34 1u5k s SER 109 CO 0.18 -1.09 1.84 -0.33 0.98 0.00 0.00 173.24 174.81 1u5k h GLU 110 N 0.65 0.72 -0.54 4.02 3.07 -1.84 -0.80 114.58 119.86 1u5k h GLU 110 Ca -0.36 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.35 1u5k h GLU 110 Cb 1.29 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 29.02 1u5k h GLU 110 CO 0.53 0.48 -0.08 0.37 -1.40 0.00 0.00 179.01 178.90 1u5k h GLN 111 N 0.74 1.00 -0.59 2.33 4.15 -1.96 -1.48 115.11 119.30 1u5k h GLN 111 Ca 0.23 -0.36 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 1u5k h GLN 111 Cb -0.02 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 1u5k h GLN 111 CO -0.08 1.04 0.31 0.00 -1.93 0.00 0.00 178.83 178.17 1u5k h ALA 112 N 0.93 0.76 -0.46 3.38 0.00 -1.87 -0.65 119.26 121.35 1u5k h ALA 112 Ca 0.14 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1u5k h ALA 112 Cb 0.65 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1u5k h ALA 112 CO 0.04 0.30 0.16 0.35 0.00 0.00 0.00 179.25 180.11 1u5k h PHE 113 N 0.80 0.29 -0.45 0.00 3.57 -0.71 0.11 116.94 120.54 1u5k h PHE 113 Ca 0.21 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 1u5k h PHE 113 Cb 0.08 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1u5k h PHE 113 CO -0.01 0.10 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.73 1u5k h ASP 114 N 0.34 0.80 -0.56 0.41 3.32 -0.94 -0.06 116.42 119.72 1u5k h ASP 114 Ca 0.22 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1u5k h ASP 114 Cb 0.21 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1u5k h ASP 114 CO -0.22 0.92 0.19 0.25 -1.72 0.00 0.00 179.24 178.65 1u5k h LEU 115 N 0.65 0.81 -0.29 1.55 5.85 -0.89 -1.72 115.31 121.27 1u5k h LEU 115 Ca 0.13 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1u5k h LEU 115 Cb 0.51 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1u5k h LEU 115 CO 0.03 0.79 0.17 0.15 -0.34 0.00 0.00 178.44 179.24 1u5k h PHE 116 N 0.78 0.32 -1.00 1.25 3.57 -0.50 -1.18 116.94 120.18 1u5k h PHE 116 Ca 0.18 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1u5k h PHE 116 Cb 0.26 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 1u5k h PHE 116 CO 0.02 0.19 0.65 0.00 -2.23 0.00 0.00 178.31 176.94 1u5k h ALA 117 N 1.13 1.33 -0.30 2.41 0.00 -0.88 -1.81 119.26 121.13 1u5k h ALA 117 Ca 0.11 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1u5k h ALA 117 Cb -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1u5k h ALA 117 CO -0.05 0.54 -0.22 0.00 0.00 0.00 0.00 179.25 179.51 1u5k h ALA 118 N 1.41 1.06 -0.73 0.00 0.00 -1.05 -1.67 119.26 118.29 1u5k h ALA 118 Ca 0.40 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1u5k h ALA 118 Cb 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1u5k h ALA 118 CO -0.13 0.57 0.36 0.66 0.00 0.00 0.00 179.25 180.71 1u5k h SER 119 N 0.50 0.95 -0.47 0.00 4.64 -0.38 -0.17 113.55 118.62 1u5k h SER 119 Ca 0.08 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 1u5k h SER 119 Cb 0.66 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1u5k h SER 119 CO 0.05 0.81 0.06 -0.07 -0.87 0.00 0.00 176.83 176.80 1u5k h LEU 120 N 1.02 0.76 -0.65 5.97 3.38 -1.16 -0.31 115.31 124.32 1u5k h LEU 120 Ca 0.25 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1u5k h LEU 120 Cb 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1u5k h LEU 120 CO -0.03 0.84 0.42 0.03 0.09 0.00 0.00 178.44 179.79 1u5k h ARG 121 N 0.65 0.86 -0.13 1.13 3.08 -1.01 -0.59 114.38 118.36 1u5k h ARG 121 Ca 0.14 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1u5k h ARG 121 Cb 0.42 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1u5k h ARG 121 CO 0.01 0.58 0.02 0.78 -1.07 0.00 0.00 179.97 180.30 1u5k h GLY 122 N 0.88 0.23 0.37 0.04 0.00 -0.85 -0.26 103.07 103.48 1u5k h GLY 122 Ca 0.24 -0.15 0.14 0.00 0.00 0.00 0.00 47.33 47.55 1u5k h GLY 122 CO -0.05 0.14 0.61 -2.08 0.00 0.00 0.00 176.54 175.16 1u5k h VAL 123 N -0.00 0.85 -0.42 4.60 2.07 -0.98 -0.44 116.25 121.92 1u5k h VAL 123 Ca 0.04 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 1u5k h VAL 123 Cb 0.29 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1u5k h VAL 123 CO 0.00 0.17 -0.21 0.00 0.02 0.00 0.00 177.57 177.55 1u5k h ALA 124 N 1.56 0.83 0.00 1.67 0.00 -0.62 -3.40 119.26 119.30 1u5k h ALA 124 Ca 0.51 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1u5k h ALA 124 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1u5k h ALA 124 CO -0.30 0.64 -1.39 0.72 0.00 0.00 0.00 179.25 178.92 1u5k n HIS 125 N -4.11 0.00 -3.10 0.00 -0.00 -0.15 -4.77 115.22 103.09 1u5k n HIS 125 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 1u5k n HIS 125 Cb 0.44 -0.24 -0.05 0.00 -0.00 0.00 0.00 29.99 30.14 1u5k n HIS 125 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1u5k s GLN 126 N -2.36 3.86 0.61 -0.41 -1.52 -0.21 -4.98 119.66 114.65 1u5k s GLN 126 Ca -0.03 0.48 0.38 0.00 -1.95 0.00 0.00 55.36 54.25 1u5k s GLN 126 Cb 0.03 -2.47 1.95 0.00 -0.22 0.00 0.00 33.01 32.31 1u5k s GLN 126 CO 0.29 0.12 2.21 -1.00 -0.25 0.00 0.00 175.29 176.66 1u5k h PRO 127 N 1.89 0.00 -2.54 2.91 0.13 -1.95 -3.36 132.00 129.09 1u5k h PRO 127 Ca -0.47 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.06 1u5k h PRO 127 Cb 1.18 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.90 1u5k h PRO 127 CO 0.65 0.02 -0.75 -3.47 -0.23 0.00 0.00 178.00 174.22 1u5k n ASP 128 N -3.19 1.97 -0.16 1.44 -0.08 -1.26 -4.96 116.55 110.31 1u5k n ASP 128 Ca -0.02 -3.00 0.06 0.00 -1.51 0.00 0.00 54.79 50.33 1u5k n ASP 128 Cb 0.17 -0.67 0.36 0.00 2.34 0.00 0.00 41.12 43.32 1u5k n ASP 128 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1u5k h PRO 129 N 4.94 0.71 -0.36 -0.67 0.13 -1.86 -2.09 132.00 132.79 1u5k h PRO 129 Ca 0.18 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 65.31 1u5k h PRO 129 Cb 0.79 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 1u5k h PRO 129 CO 0.63 0.47 0.10 1.49 -0.23 0.00 0.00 178.00 180.46 1u5k h GLU 130 N 0.73 0.24 -0.52 0.86 4.81 -1.95 -1.15 114.58 117.59 1u5k h GLU 130 Ca 0.29 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1u5k h GLU 130 Cb 0.22 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1u5k h GLU 130 CO -0.09 0.16 0.34 2.35 -0.73 0.00 0.00 179.01 181.04 1u5k h TRP 131 N 0.24 0.65 -0.72 0.92 2.91 -1.83 -1.10 115.95 117.02 1u5k h TRP 131 Ca 0.17 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.27 1u5k h TRP 131 Cb 0.16 -0.22 -0.06 0.00 -0.51 0.00 0.00 29.16 28.53 1u5k h TRP 131 CO -0.16 0.41 0.40 0.28 -1.03 0.00 0.00 178.44 178.34 1u5k h VAL 132 N 0.70 0.95 -0.49 2.65 2.07 -1.04 -1.68 116.25 119.41 1u5k h VAL 132 Ca 0.19 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 1u5k h VAL 132 Cb -0.07 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1u5k h VAL 132 CO -0.05 0.13 -0.13 0.00 0.02 0.00 0.00 177.57 177.54 1u5k h ALA 133 N 1.38 0.68 -0.11 1.67 0.00 -0.64 0.28 119.26 122.52 1u5k h ALA 133 Ca 0.33 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u5k h ALA 133 Cb 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1u5k h ALA 133 CO -0.20 0.60 0.06 -0.07 0.00 0.00 0.00 179.25 179.63 1u5k h LEU 134 N 0.81 0.13 -0.30 0.00 3.38 -0.93 -1.00 115.31 117.41 1u5k h LEU 134 Ca 0.12 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1u5k h LEU 134 Cb 0.70 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1u5k h LEU 134 CO 0.05 0.18 0.09 0.58 0.09 0.00 0.00 178.44 179.43 1u5k h VAL 135 N 0.08 1.21 -0.24 1.22 2.07 -1.15 -2.91 116.25 116.52 1u5k h VAL 135 Ca 0.04 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.76 1u5k h VAL 135 Cb 0.08 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1u5k h VAL 135 CO -0.01 0.22 -0.38 0.24 0.02 0.00 0.00 177.57 177.67 1u5k h MET 136 N 0.33 0.55 -0.46 1.57 2.86 -0.91 -1.28 114.93 117.59 1u5k h MET 136 Ca 0.10 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1u5k h MET 136 Cb 0.26 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1u5k h MET 136 CO -0.00 0.84 0.28 0.77 1.06 0.00 0.00 176.91 179.86 1u5k h SER 137 N 0.46 0.54 -0.46 1.22 0.02 -1.08 -0.51 113.55 113.74 1u5k h SER 137 Ca 0.04 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1u5k h SER 137 Cb 0.86 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1u5k h SER 137 CO 0.07 0.43 0.02 1.88 -1.14 0.00 0.00 176.83 178.09 1u5k h TYR 138 N 0.61 0.87 -0.48 3.45 -1.99 -1.39 -2.23 116.97 115.81 1u5k h TYR 138 Ca 0.16 -0.14 0.02 0.00 2.00 0.00 0.00 58.73 60.77 1u5k h TYR 138 Cb -0.02 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.45 1u5k h TYR 138 CO -0.03 0.83 0.29 0.87 -0.00 0.00 0.00 178.16 180.12 1u5k h LYS 139 N 0.66 0.57 -0.86 4.88 1.79 -1.05 -2.53 116.57 120.03 1u5k h LYS 139 Ca 0.13 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 1u5k h LYS 139 Cb 0.47 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.96 1u5k h LYS 139 CO 0.02 0.37 0.42 -0.07 -1.08 0.00 0.00 179.45 179.12 1u5k h LEU 140 N 0.58 1.12 -0.76 2.94 3.38 -0.98 -2.30 115.31 119.29 1u5k h LEU 140 Ca 0.19 -0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.20 1u5k h LEU 140 Cb -0.00 -0.29 -0.13 0.00 0.09 0.00 0.00 40.66 40.33 1u5k h LEU 140 CO -0.08 0.93 -0.01 -0.07 0.09 0.00 0.00 178.44 179.30 1u5k h LEU 141 N 1.22 -0.38 -0.96 1.67 3.38 -0.97 -0.77 115.31 118.50 1u5k h LEU 141 Ca 0.30 0.20 0.19 0.00 0.09 0.00 0.00 57.88 58.65 1u5k h LEU 141 Cb 0.11 0.36 -0.11 0.00 0.09 0.00 0.00 40.66 41.11 1u5k h LEU 141 CO -0.04 -0.19 0.55 1.23 0.09 0.00 0.00 178.44 180.08 1u5k h GLY 142 N 0.09 1.69 1.67 0.83 0.00 -1.22 -2.08 103.07 104.05 1u5k h GLY 142 Ca 0.41 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1u5k h GLY 142 CO -0.68 -0.09 -0.24 1.04 0.00 0.00 0.00 176.54 176.57 1u5k n LEU 143 N -4.83 0.77 -4.96 3.11 4.77 -0.39 -4.86 117.00 110.61 1u5k n LEU 143 Ca 0.22 0.44 -0.26 0.00 -0.03 0.00 0.00 56.01 56.38 1u5k n LEU 143 Cb 0.56 -0.27 0.12 0.00 -2.33 0.00 0.00 43.42 41.51 1u5k n LEU 143 CO 0.20 -0.13 0.67 0.00 -1.33 0.00 0.00 177.39 176.80 1u5k s ALA 144 N -3.12 3.10 0.19 -1.18 0.00 -0.65 -4.97 121.76 115.14 1u5k s ALA 144 Ca 0.09 -1.34 -0.13 0.00 0.00 0.00 0.00 51.96 50.57 1u5k s ALA 144 Cb 0.13 -2.41 0.21 0.00 0.00 0.00 0.00 23.12 21.06 1u5k s ALA 144 CO 0.64 -1.71 1.67 0.78 0.00 0.00 0.00 175.76 177.14 1u5k h GLY 145 N -0.89 0.52 -1.57 0.00 0.00 -1.89 -3.43 103.07 95.81 1u5k h GLY 145 Ca -0.41 0.09 -0.49 0.00 0.00 0.00 0.00 47.33 46.52 1u5k h GLY 145 CO 0.45 -0.17 -0.65 -0.62 0.00 0.00 0.00 176.54 175.56 1u5k n VAL 146 N -5.27 0.00 -3.15 4.60 0.31 -1.26 -5.04 118.33 108.52 1u5k n VAL 146 Ca 0.06 -0.26 0.06 0.00 -0.01 0.00 0.00 64.34 64.20 1u5k n VAL 146 Cb 0.29 -0.70 -0.01 0.00 -0.91 0.00 0.00 33.84 32.52 1u5k n VAL 146 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1u5k s ILE 147 N -2.35 -0.04 -0.11 2.52 -5.25 -1.26 -4.38 121.20 110.33 1u5k s ILE 147 Ca 0.59 0.00 -0.30 0.00 -0.99 0.00 0.00 60.65 59.95 1u5k s ILE 147 Cb -0.18 -0.35 -0.08 0.00 2.95 0.00 0.00 42.46 44.80 1u5k s ILE 147 CO 0.66 0.00 2.07 -2.65 -1.79 0.00 0.00 174.94 173.23 1u5k n PRO 148 N 5.17 2.29 -2.25 0.37 -0.02 -1.26 -4.89 135.00 134.41 1u5k n PRO 148 Ca 0.04 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 1u5k n PRO 148 Cb 0.58 -3.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.03 1u5k n PRO 148 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1u5k s GLN 149 N 5.26 3.61 0.00 -0.52 -2.07 -1.26 -4.76 119.66 119.91 1u5k s GLN 149 Ca 0.96 1.19 0.04 0.00 -1.82 0.00 0.00 55.36 55.73 1u5k s GLN 149 Cb -0.47 -4.04 -0.04 0.00 -1.09 0.00 0.00 33.01 27.37 1u5k s GLN 149 CO 0.42 -1.52 0.22 0.25 -1.32 0.00 0.00 175.29 173.34 1u5k n THR 150 N 6.92 0.00 0.43 3.63 -2.24 -1.26 -4.53 114.28 117.23 1u5k n THR 150 Ca 0.18 -0.41 0.13 0.00 -2.27 0.00 0.00 64.05 61.67 1u5k n THR 150 Cb 0.47 1.01 0.48 0.00 -2.10 0.00 0.00 70.33 70.19 1u5k n THR 150 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u5k h ALA 151 N 0.60 1.00 -2.83 6.98 0.00 -1.93 -3.41 119.26 119.67 1u5k h ALA 151 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1u5k h ALA 151 Cb 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.67 1u5k h ALA 151 CO 0.00 0.00 -0.43 1.03 0.00 0.00 0.00 179.25 179.85 1u5k s ARG 152 N -3.30 0.46 0.24 0.00 0.52 -1.26 -1.04 118.95 114.56 1u5k s ARG 152 Ca 0.05 -0.12 -0.31 0.00 -0.52 0.00 0.00 55.73 54.83 1u5k s ARG 152 Cb 0.10 0.20 -0.14 0.00 0.52 0.00 0.00 34.95 35.63 1u5k s ARG 152 CO 0.46 -0.10 1.34 0.00 0.02 0.00 0.00 175.30 177.02 1u5k h ALA 154 N 3.88 1.00 0.00 0.00 0.00 -1.69 -1.13 119.26 121.32 1u5k h ALA 154 Ca -0.45 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1u5k h ALA 154 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1u5k h ALA 154 CO 0.73 0.00 -0.95 -2.13 0.00 0.00 0.00 179.25 176.90 1u5k n ARG 155 N -2.67 0.51 -0.00 0.00 0.63 -1.26 -4.79 116.66 109.07 1u5k n ARG 155 Ca 0.03 0.35 0.08 0.00 -0.92 0.00 0.00 57.85 57.39 1u5k n ARG 155 Cb 0.35 -1.55 -0.10 0.00 0.45 0.00 0.00 32.46 31.61 1u5k n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1u5k n GLY 157 N 1.42 0.77 3.77 0.00 0.00 -0.43 -4.95 105.19 105.77 1u5k n GLY 157 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1u5k n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5k s ALA 158 N -2.97 3.65 0.51 4.61 0.00 -1.26 -4.18 121.76 122.12 1u5k s ALA 158 Ca 0.00 1.58 -0.22 0.00 0.00 0.00 0.00 51.96 53.32 1u5k s ALA 158 Cb 0.00 -3.63 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 1u5k s ALA 158 CO 0.00 -1.04 1.31 -2.14 0.00 0.00 0.00 175.76 173.90 1u5k s PRO 159 N -1.44 3.37 -1.18 0.00 0.02 -1.26 0.19 135.00 134.70 1u5k s PRO 159 Ca 0.57 2.13 -0.02 0.00 0.02 0.00 0.00 61.00 63.70 1u5k s PRO 159 Cb -0.47 -2.35 -0.02 0.00 0.02 0.00 0.00 34.50 31.69 1u5k s PRO 159 CO 0.57 -0.97 0.92 -0.25 -0.33 0.00 0.00 177.00 176.93 1u5k n ASP 160 N -0.78 -3.07 -4.75 2.53 8.00 -0.21 -4.83 116.55 113.45 1u5k n ASP 160 Ca 0.09 -0.70 -0.37 0.00 0.71 0.00 0.00 54.79 54.53 1u5k n ASP 160 Cb 0.45 -4.87 0.03 0.00 -0.02 0.00 0.00 41.12 36.71 1u5k n ASP 160 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1u5k s PRO 161 N -5.28 3.08 0.00 -0.24 0.04 -1.26 -4.97 135.00 126.36 1u5k s PRO 161 Ca 0.13 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1u5k s PRO 161 Cb -0.02 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1u5k s PRO 161 CO 0.75 -1.15 0.45 0.39 0.04 0.00 0.00 177.00 177.49 1u5k n GLU 162 N -1.35 -0.81 -4.35 4.56 1.02 -1.14 -4.87 120.64 113.71 1u5k n GLU 162 Ca 0.12 -0.45 -0.26 0.00 -0.02 0.00 0.00 57.16 56.55 1u5k n GLU 162 Cb 0.48 -0.95 -0.10 0.00 -0.02 0.00 0.00 31.44 30.85 1u5k n GLU 162 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1u5k s HIS 163 N -0.01 2.49 0.68 -0.32 3.76 -0.59 -1.39 115.29 119.91 1u5k s HIS 163 Ca 0.00 -0.28 -0.17 0.00 -0.15 0.00 0.00 55.06 54.46 1u5k s HIS 163 Cb 0.00 -1.20 0.01 0.00 1.11 0.00 0.00 32.58 32.50 1u5k s HIS 163 CO 0.00 0.54 1.25 -2.30 -0.85 0.00 0.00 174.74 173.37 1u5k n PRO 164 N -0.02 0.90 -3.83 8.40 -0.02 -1.26 -0.98 135.00 138.18 1u5k n PRO 164 Ca -0.10 0.37 -0.29 0.00 -2.02 0.00 0.00 63.50 61.46 1u5k n PRO 164 Cb 0.56 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.44 1u5k n PRO 164 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1u5k s ASP 165 N -1.52 4.21 0.59 2.55 3.68 -1.24 -4.04 116.67 120.90 1u5k s ASP 165 Ca 0.80 -3.45 0.29 0.00 2.13 0.00 0.00 52.55 52.32 1u5k s ASP 165 Cb -0.36 -1.44 1.57 0.00 -1.45 0.00 0.00 42.92 41.24 1u5k s ASP 165 CO 0.43 -0.15 2.01 -0.65 0.13 0.00 0.00 175.17 176.94 1u5k h PRO 166 N 5.81 0.00 0.00 4.34 0.11 -1.95 0.27 132.00 140.58 1u5k h PRO 166 Ca 0.09 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.95 1u5k h PRO 166 Cb 0.82 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.88 1u5k h PRO 166 CO 0.65 0.00 -1.64 1.28 -0.21 0.00 0.00 178.00 178.07 1u5k n LEU 167 N -3.76 0.84 0.00 2.35 4.77 -1.26 -4.61 117.00 115.33 1u5k n LEU 167 Ca 0.04 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1u5k n LEU 167 Cb 0.48 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1u5k n LEU 167 CO 0.27 0.32 0.07 0.61 -1.33 0.00 0.00 177.39 177.34 1u5k n GLY 168 N 1.51 0.25 2.67 -0.72 0.00 -1.03 -4.96 105.19 102.92 1u5k n GLY 168 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 1u5k n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u5k n GLY 169 N 0.24 0.56 0.00 -0.02 0.00 0.91 -3.67 105.19 103.20 1u5k n GLY 169 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1u5k n GLY 169 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u5k n GLN 170 N -0.71 1.75 -4.29 1.61 6.02 -1.26 -4.64 117.38 115.86 1u5k n GLN 170 Ca -0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.77 1u5k n GLN 170 Cb 0.42 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.54 1u5k n GLN 170 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u5k s LEU 171 N 0.00 2.05 0.15 1.08 1.43 -1.26 -3.59 118.68 118.54 1u5k s LEU 171 Ca 0.00 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1u5k s LEU 171 Cb 0.00 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.78 1u5k s LEU 171 CO 0.00 0.06 0.08 -0.76 0.23 0.00 0.00 176.35 175.97 1u5k s LEU 172 N -0.41 3.66 0.74 1.79 1.43 -0.16 -1.76 118.68 123.97 1u5k s LEU 172 Ca 0.02 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 1u5k s LEU 172 Cb -0.04 -2.30 0.05 0.00 0.03 0.00 0.00 46.19 43.93 1u5k s LEU 172 CO -0.00 0.10 1.10 0.00 0.23 0.00 0.00 176.35 177.77 1u5k h SER 174 N -0.77 0.00 1.38 0.00 4.64 -1.96 -1.54 113.55 115.30 1u5k h SER 174 Ca -0.45 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.77 1u5k h SER 174 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1u5k h SER 174 CO 0.64 0.11 -0.65 0.11 -0.87 0.00 0.00 176.83 176.18 1u5k h LYS 175 N 0.00 0.00 0.00 4.77 1.57 -2.01 -3.30 116.57 117.60 1u5k h LYS 175 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u5k h LYS 175 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1u5k h LYS 175 CO 0.01 0.35 -1.37 0.00 -0.57 0.00 0.00 179.45 177.87 1u5k s ALA 177 N -3.39 3.20 -0.89 0.00 0.00 -0.61 -4.95 121.76 115.13 1u5k s ALA 177 Ca -0.02 0.42 0.18 0.00 0.00 0.00 0.00 51.96 52.53 1u5k s ALA 177 Cb 0.12 -3.10 -0.19 0.00 0.00 0.00 0.00 23.12 19.95 1u5k s ALA 177 CO 0.84 0.19 0.78 0.00 0.00 0.00 0.00 175.76 177.57 1u5k n ALA 178 N 0.24 4.35 -2.56 0.00 0.00 -1.26 -4.97 120.51 116.32 1u5k n ALA 178 Ca 0.03 -0.52 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 1u5k n ALA 178 Cb 0.51 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 1u5k n ALA 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u5k s LEU 179 N -2.84 2.98 0.84 0.00 1.43 -1.26 -5.12 118.68 114.70 1u5k s LEU 179 Ca 0.07 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 1u5k s LEU 179 Cb 0.14 -1.42 0.10 0.00 0.03 0.00 0.00 46.19 45.03 1u5k s LEU 179 CO 0.74 -0.11 1.10 -2.16 0.23 0.00 0.00 176.35 176.15 1u5k s PRO 180 N -3.67 1.69 0.67 1.29 0.05 -1.26 -4.74 135.00 129.04 1u5k s PRO 180 Ca 0.33 0.69 -0.14 0.00 0.05 0.00 0.00 61.00 61.92 1u5k s PRO 180 Cb -0.03 -1.87 0.01 0.00 0.05 0.00 0.00 34.50 32.66 1u5k s PRO 180 CO 0.19 -1.91 1.11 -1.25 0.05 0.00 0.00 177.00 175.19 1u5k s PRO 181 N -5.07 2.71 0.48 0.56 0.04 -1.26 -4.34 135.00 128.11 1u5k s PRO 181 Ca 0.62 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.80 1u5k s PRO 181 Cb -0.16 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1u5k s PRO 181 CO 0.55 -1.32 1.34 0.71 0.04 0.00 0.00 177.00 178.32 1u5k s TYR 182 N -2.39 2.54 0.59 0.56 4.12 -0.48 -4.96 117.35 117.33 1u5k s TYR 182 Ca 0.67 1.38 -0.18 0.00 0.02 0.00 0.00 57.07 58.95 1u5k s TYR 182 Cb -0.20 -3.74 -0.05 0.00 -1.52 0.00 0.00 41.96 36.44 1u5k s TYR 182 CO 0.43 -2.52 0.90 -2.30 0.02 0.00 0.00 175.55 172.08 1u5k n PRO 183 N -0.47 0.85 -0.33 -1.71 -0.02 -1.26 -4.69 135.00 127.37 1u5k n PRO 183 Ca 0.07 0.33 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1u5k n PRO 183 Cb 0.44 -2.10 0.35 0.00 -0.02 0.00 0.00 33.50 32.17 1u5k n PRO 183 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1u5k h PRO 184 N 0.47 0.71 -0.27 0.52 0.11 -1.99 -1.61 132.00 129.94 1u5k h PRO 184 Ca -0.48 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.41 1u5k h PRO 184 Cb 1.37 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u5k h PRO 184 CO 0.50 0.47 -0.53 0.00 -0.21 0.00 0.00 178.00 178.23 1u5k h ALA 185 N 1.62 0.55 -0.44 -0.75 0.00 -1.99 0.06 119.26 118.32 1u5k h ALA 185 Ca 0.54 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1u5k h ALA 185 Cb 0.87 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1u5k h ALA 185 CO -0.31 0.68 0.20 0.28 0.00 0.00 0.00 179.25 180.11 1u5k h VAL 186 N 0.61 1.18 -0.50 0.00 2.07 -1.83 -2.24 116.25 115.54 1u5k h VAL 186 Ca 0.02 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1u5k h VAL 186 Cb 1.12 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1u5k h VAL 186 CO 0.11 0.20 0.26 -0.07 0.02 0.00 0.00 177.57 178.10 1u5k h LEU 187 N 0.56 0.63 -1.18 2.57 3.38 -1.15 -0.59 115.31 119.53 1u5k h LEU 187 Ca 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1u5k h LEU 187 Cb 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1u5k h LEU 187 CO -0.02 0.56 0.40 -0.78 0.09 0.00 0.00 178.44 178.69 1u5k h ASP 188 N 0.66 0.85 0.02 -0.43 1.82 -0.82 -1.37 116.42 117.15 1u5k h ASP 188 Ca 0.17 -0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1u5k h ASP 188 Cb 0.08 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.87 1u5k h ASP 188 CO -0.03 0.67 -0.01 0.15 -1.61 0.00 0.00 179.24 178.42 1u5k h PHE 189 N 0.97 -0.03 -0.86 0.28 3.57 -0.97 -2.32 116.94 117.60 1u5k h PHE 189 Ca 0.25 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.90 1u5k h PHE 189 Cb -0.00 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1u5k h PHE 189 CO 0.01 0.61 0.56 -0.07 -2.23 0.00 0.00 178.31 177.18 1u5k h LEU 190 N -0.69 0.56 -0.26 0.59 3.38 -0.89 0.43 115.31 118.43 1u5k h LEU 190 Ca -0.00 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1u5k h LEU 190 Cb 0.64 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1u5k h LEU 190 CO 0.00 0.28 -0.83 0.03 0.09 0.00 0.00 178.44 178.01 1u5k h ARG 191 N 0.59 0.00 0.00 1.13 3.08 -1.21 -3.39 114.38 114.58 1u5k h ARG 191 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 1u5k h ARG 191 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1u5k h ARG 191 CO -0.18 0.83 -0.02 0.72 -1.07 0.00 0.00 179.97 180.24 1u5k n HIS 192 N -3.48 0.00 -0.24 3.04 8.25 -0.73 -4.78 115.22 117.28 1u5k n HIS 192 Ca -0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1u5k n HIS 192 Cb 0.82 0.00 0.17 0.00 1.12 0.00 0.00 29.99 32.09 1u5k n HIS 192 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u5k h ALA 193 N 0.00 0.98 -0.46 -1.41 0.00 -0.37 -0.16 119.26 117.83 1u5k h ALA 193 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1u5k h ALA 193 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1u5k h ALA 193 CO 0.00 -0.22 0.16 0.28 0.00 0.00 0.00 179.25 179.48 1u5k h VAL 194 N 0.42 1.18 0.00 0.00 2.07 -1.82 -3.31 116.25 114.79 1u5k h VAL 194 Ca 0.39 -0.59 -0.35 0.00 0.82 0.00 0.00 66.70 66.97 1u5k h VAL 194 Cb 0.57 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1u5k h VAL 194 CO -0.39 0.23 -2.32 0.54 0.02 0.00 0.00 177.57 175.64 1u5k n ARG 195 N -4.34 0.80 -1.54 1.57 1.74 -0.85 -4.76 116.66 109.27 1u5k n ARG 195 Ca 0.03 0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.73 1u5k n ARG 195 Cb 0.17 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1u5k n ARG 195 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1u5k n ARG 196 N -2.91 1.04 -1.66 5.56 0.63 -0.13 -4.95 116.66 114.24 1u5k n ARG 196 Ca -0.36 0.37 -0.35 0.00 -0.92 0.00 0.00 57.85 56.60 1u5k n ARG 196 Cb 1.05 -1.74 0.07 0.00 0.45 0.00 0.00 32.46 32.29 1u5k n ARG 196 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1u5k s THR 197 N -1.22 2.53 0.21 5.15 -4.23 -1.26 -4.85 115.64 111.98 1u5k s THR 197 Ca 0.61 0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 61.32 1u5k s THR 197 Cb -0.66 -2.92 0.14 0.00 1.34 0.00 0.00 72.50 70.41 1u5k s THR 197 CO 0.58 -0.12 1.78 -0.37 -0.54 0.00 0.00 174.62 175.96 1u5k h VAL 198 N 0.13 1.25 -0.69 2.29 -1.51 -1.93 -1.06 116.25 114.74 1u5k h VAL 198 Ca -0.48 -0.74 0.04 0.00 -1.23 0.00 0.00 66.70 64.29 1u5k h VAL 198 Cb 1.29 0.32 -0.05 0.00 -2.13 0.00 0.00 31.29 30.73 1u5k h VAL 198 CO 0.52 0.31 0.41 -0.09 -1.23 0.00 0.00 177.57 177.49 1u5k h ARG 199 N 1.08 0.77 -0.76 5.19 2.43 -1.99 0.11 114.38 121.21 1u5k h ARG 199 Ca 0.26 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1u5k h ARG 199 Cb 0.16 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1u5k h ARG 199 CO -0.03 0.51 0.30 0.00 -1.51 0.00 0.00 179.97 179.25 1u5k h ALA 200 N 1.31 1.10 -0.07 2.80 0.00 -1.69 -2.29 119.26 120.42 1u5k h ALA 200 Ca 0.29 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1u5k h ALA 200 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1u5k h ALA 200 CO -0.13 0.64 -0.40 0.77 0.00 0.00 0.00 179.25 180.13 1u5k h SER 201 N 1.10 0.16 0.14 0.00 0.02 -0.74 -2.52 113.55 111.72 1u5k h SER 201 Ca 0.25 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1u5k h SER 201 Cb 0.21 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1u5k h SER 201 CO -0.02 0.55 -0.21 -0.26 -1.14 0.00 0.00 176.83 175.75 1u5k h PHE 202 N 0.13 0.16 -0.00 3.45 0.05 -0.24 -2.21 116.94 118.28 1u5k h PHE 202 Ca 0.01 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.78 1u5k h PHE 202 Cb 0.77 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 38.68 1u5k h PHE 202 CO 0.01 0.36 -0.07 0.39 -0.18 0.00 0.00 178.31 178.82 1u5k n GLU 203 N -4.22 0.24 -3.04 1.51 1.02 -0.96 -4.09 120.64 111.10 1u5k n GLU 203 Ca -0.01 -0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.85 1u5k n GLU 203 Cb 0.31 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 1u5k n GLU 203 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1u5k n GLN 204 N -1.35 2.42 -1.81 3.49 7.27 -0.83 -5.10 117.38 121.47 1u5k n GLN 204 Ca 0.10 -4.33 -0.41 0.00 0.07 0.00 0.00 57.00 52.43 1u5k n GLN 204 Cb 0.30 -2.05 -0.00 0.00 2.41 0.00 0.00 30.24 30.90 1u5k n GLN 204 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1u5k s PRO 205 N -3.06 4.11 0.12 3.69 0.04 -1.25 -4.97 135.00 133.68 1u5k s PRO 205 Ca 0.45 2.56 -0.27 0.00 0.04 0.00 0.00 61.00 63.79 1u5k s PRO 205 Cb 0.30 -2.97 -0.07 0.00 0.04 0.00 0.00 34.50 31.80 1u5k s PRO 205 CO -0.12 -0.52 0.84 0.08 0.04 0.00 0.00 177.00 177.31 1u5k s VAL 206 N -1.12 4.49 0.74 -0.36 1.01 -1.26 -5.02 120.40 118.88 1u5k s VAL 206 Ca 0.53 1.81 -0.15 0.00 0.00 0.00 0.00 61.98 64.16 1u5k s VAL 206 Cb -0.46 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 31.75 1u5k s VAL 206 CO 0.63 0.42 1.11 -2.65 0.00 0.00 0.00 175.10 174.61 1u5k n PRO 207 N 2.27 0.50 0.21 2.72 -0.02 -1.26 -4.85 135.00 134.57 1u5k n PRO 207 Ca -0.02 0.24 0.08 0.00 -2.02 0.00 0.00 63.50 61.77 1u5k n PRO 207 Cb 0.49 -2.36 0.44 0.00 -0.02 0.00 0.00 33.50 32.05 1u5k n PRO 207 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1u5k h SER 208 N -0.35 0.00 -0.08 2.55 4.64 -2.01 -1.33 113.55 116.97 1u5k h SER 208 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1u5k h SER 208 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1u5k h SER 208 CO 0.48 0.29 0.06 0.00 -0.87 0.00 0.00 176.83 176.78 1u5k h ALA 209 N 1.71 1.96 -0.01 5.18 0.00 -2.05 -2.76 119.26 123.29 1u5k h ALA 209 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u5k h ALA 209 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1u5k h ALA 209 CO 0.04 0.04 -0.36 -0.25 0.00 0.00 0.00 179.25 178.72 1u5k n ASP 210 N -4.53 1.03 0.02 0.00 8.00 -0.51 -4.40 116.55 116.16 1u5k n ASP 210 Ca -0.02 -0.84 -0.07 0.00 0.71 0.00 0.00 54.79 54.57 1u5k n ASP 210 Cb 0.09 0.23 0.10 0.00 -0.02 0.00 0.00 41.12 41.52 1u5k n ASP 210 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1u5k h ARG 211 N 1.05 0.50 -0.58 -1.24 3.08 -1.44 -3.17 114.38 112.57 1u5k h ARG 211 Ca 0.00 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 59.80 1u5k h ARG 211 Cb 0.53 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1u5k h ARG 211 CO 0.00 0.88 0.38 -1.35 -1.07 0.00 0.00 179.97 178.81 1u5k h PRO 212 N 0.39 0.67 -0.37 0.04 0.11 -1.77 0.03 132.00 131.11 1u5k h PRO 212 Ca 0.02 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1u5k h PRO 212 Cb 1.00 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1u5k h PRO 212 CO 0.09 0.44 0.13 0.00 -0.21 0.00 0.00 178.00 178.45 1u5k h ALA 213 N 1.66 1.55 -0.14 -0.75 0.00 -1.85 -0.90 119.26 118.83 1u5k h ALA 213 Ca 0.23 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1u5k h ALA 213 Cb 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1u5k h ALA 213 CO -0.06 0.35 -0.23 -0.07 0.00 0.00 0.00 179.25 179.25 1u5k h LEU 214 N 0.52 0.44 -1.10 0.00 3.38 -1.08 -2.37 115.31 115.10 1u5k h LEU 214 Ca 0.13 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1u5k h LEU 214 Cb 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1u5k h LEU 214 CO -0.01 0.89 0.49 -0.50 0.09 0.00 0.00 178.44 179.40 1u5k h TRP 215 N 0.00 1.08 -0.31 1.13 4.06 -1.01 -1.95 115.95 118.94 1u5k h TRP 215 Ca 0.01 -0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 1u5k h TRP 215 Cb 0.80 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.60 1u5k h TRP 215 CO 0.10 0.72 -0.09 0.00 -3.56 0.00 0.00 178.44 175.60 1u5k h ARG 216 N 1.13 0.62 -0.05 0.49 2.47 -1.12 -0.60 114.38 117.31 1u5k h ARG 216 Ca 0.29 -0.25 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1u5k h ARG 216 Cb -0.05 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 1u5k h ARG 216 CO -0.06 0.81 0.03 0.00 0.56 0.00 0.00 179.97 181.32 1u5k h ALA 217 N 0.79 0.06 -0.20 0.04 0.00 -1.27 -1.06 119.26 117.62 1u5k h ALA 217 Ca 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1u5k h ALA 217 Cb 0.60 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1u5k h ALA 217 CO 0.03 -0.42 -0.08 1.25 0.00 0.00 0.00 179.25 180.03 1u5k h LEU 218 N 0.03 -0.26 -0.55 0.00 5.85 -1.25 -0.42 115.31 118.71 1u5k h LEU 218 Ca 0.02 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1u5k h LEU 218 Cb 0.03 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1u5k h LEU 218 CO -0.00 -0.10 0.32 -0.08 -0.34 0.00 0.00 178.44 178.23 1u5k h GLU 219 N -0.04 0.76 -0.29 1.25 4.81 -0.93 -0.46 114.58 119.69 1u5k h GLU 219 Ca 0.10 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1u5k h GLU 219 Cb 0.20 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1u5k h GLU 219 CO -0.23 0.57 0.14 -0.22 -0.73 0.00 0.00 179.01 178.54 1u5k h LYS 220 N 0.75 0.41 -0.63 1.92 1.63 -0.93 -1.40 116.57 118.31 1u5k h LYS 220 Ca 0.20 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1u5k h LYS 220 Cb 0.02 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 1u5k h LYS 220 CO -0.03 0.39 0.41 0.35 -3.45 0.00 0.00 179.45 177.12 1u5k h PHE 221 N 0.33 0.81 -0.33 1.91 3.57 -0.87 -2.06 116.94 120.29 1u5k h PHE 221 Ca 0.10 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 1u5k h PHE 221 Cb 0.11 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1u5k h PHE 221 CO -0.02 0.52 -0.17 0.28 -2.23 0.00 0.00 178.31 176.68 1u5k h VAL 222 N 0.86 1.29 -0.36 1.41 2.07 -0.97 -0.89 116.25 119.66 1u5k h VAL 222 Ca 0.23 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.52 1u5k h VAL 222 Cb -0.08 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1u5k h VAL 222 CO -0.05 0.42 0.03 0.74 0.02 0.00 0.00 177.57 178.73 1u5k h THR 223 N 0.48 0.76 -0.39 2.57 2.02 -1.08 0.28 112.91 117.56 1u5k h THR 223 Ca 0.07 -0.05 -0.11 0.00 0.77 0.00 0.00 66.41 67.10 1u5k h THR 223 Cb 0.71 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1u5k h THR 223 CO 0.05 0.02 -0.20 0.58 0.37 0.00 0.00 175.52 176.34 1u5k h VAL 224 N 0.13 1.27 0.00 3.16 2.07 -1.29 -3.30 116.25 118.29 1u5k h VAL 224 Ca 0.18 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1u5k h VAL 224 Cb 0.23 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1u5k h VAL 224 CO -0.27 0.43 -1.68 0.00 0.02 0.00 0.00 177.57 176.07 1u5k n GLN 225 N -4.12 0.52 -5.25 1.57 1.13 -0.35 -4.98 117.38 105.89 1u5k n GLN 225 Ca 0.00 -0.13 -0.31 0.00 -1.94 0.00 0.00 57.00 54.62 1u5k n GLN 225 Cb 0.42 -1.55 -0.16 0.00 0.11 0.00 0.00 30.24 29.06 1u5k n GLN 225 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1u5k s VAL 226 N -3.40 2.19 0.50 5.09 1.01 0.96 -5.02 120.40 121.73 1u5k s VAL 226 Ca -0.04 -1.06 -0.17 0.00 0.00 0.00 0.00 61.98 60.71 1u5k s VAL 226 Cb 0.14 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 1u5k s VAL 226 CO 0.89 0.58 0.98 -0.83 0.00 0.00 0.00 175.10 176.72 1u5k s GLY 227 N -0.60 2.13 0.00 4.51 0.00 -1.26 -4.75 107.32 107.35 1u5k s GLY 227 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1u5k s GLY 227 CO -0.01 0.51 0.00 0.61 0.00 0.00 0.00 173.10 174.22 1u5k n GLY 228 N -1.37 -1.27 0.00 0.20 0.00 -1.26 -4.87 105.19 96.62 1u5k n GLY 228 Ca 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1u5k n GLY 228 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u5k n VAL 229 N -0.27 0.00 -3.34 1.61 0.24 -1.26 -5.05 118.33 110.27 1u5k n VAL 229 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 1u5k n VAL 229 Cb 0.00 -0.01 -0.07 0.00 -1.47 0.00 0.00 33.84 32.29 1u5k n VAL 229 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1u5k s HIS 230 N 0.00 -0.84 0.44 6.34 4.02 -1.26 -4.83 115.29 119.16 1u5k s HIS 230 Ca 0.00 0.40 0.24 0.00 1.02 0.00 0.00 55.06 56.72 1u5k s HIS 230 Cb 0.00 -0.16 1.24 0.00 -1.02 0.00 0.00 32.58 32.64 1u5k s HIS 230 CO 0.00 -0.88 1.78 0.77 1.02 0.00 0.00 174.74 177.43 1u5k h SER 231 N 8.19 0.31 -0.17 1.40 0.02 -1.97 -3.14 113.55 118.19 1u5k h SER 231 Ca -0.13 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1u5k h SER 231 Cb 1.12 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1u5k h SER 231 CO 0.28 0.05 0.06 -0.25 -1.14 0.00 0.00 176.83 175.84 1u5k h TRP 232 N 0.27 0.26 -0.90 3.45 2.91 -1.88 -2.88 115.95 117.19 1u5k h TRP 232 Ca 0.58 -0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.74 1u5k h TRP 232 Cb 1.72 -0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 30.22 1u5k h TRP 232 CO -0.00 0.33 0.58 0.00 -1.03 0.00 0.00 178.44 178.32 1u5k h ARG 233 N 0.11 0.60 0.00 2.65 2.47 -1.92 -0.48 114.38 117.81 1u5k h ARG 233 Ca 0.06 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1u5k h ARG 233 Cb 0.19 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1u5k h ARG 233 CO -0.00 0.40 -0.08 1.96 0.56 0.00 0.00 179.97 182.80 1u5k h GLN 234 N 0.62 0.00 -0.02 0.04 1.08 -1.58 -2.69 115.11 112.56 1u5k h GLN 234 Ca 0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.66 1u5k h GLN 234 Cb 0.84 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1u5k h GLN 234 CO -0.21 0.08 -0.33 1.28 -0.95 0.00 0.00 178.83 178.70 1u5k n LEU 235 N -3.89 1.91 -4.75 1.46 4.77 -0.20 -4.94 117.00 111.37 1u5k n LEU 235 Ca -0.02 -0.66 -0.41 0.00 -0.03 0.00 0.00 56.01 54.88 1u5k n LEU 235 Cb 0.18 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1u5k n LEU 235 CO 0.31 0.35 0.96 -0.69 -1.33 0.00 0.00 177.39 176.98 1u5k s VAL 236 N -2.39 3.10 -1.56 4.08 1.01 -1.02 -4.94 120.40 118.69 1u5k s VAL 236 Ca 0.22 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1u5k s VAL 236 Cb 0.19 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1u5k s VAL 236 CO 0.51 0.18 0.39 -2.65 0.00 0.00 0.00 175.10 173.53