#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 n ARG 2 N 0.00 2.34 -1.99 0.00 1.74 -1.26 -4.97 116.66 112.53 1s72 n ARG 2 Ca 0.00 0.83 -0.31 0.00 -0.77 0.00 0.00 57.85 57.60 1s72 n ARG 2 Cb 0.00 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 28.93 1s72 n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1s72 s SER 3 N 0.18 6.28 0.30 0.55 1.04 -1.26 -4.94 113.70 115.85 1s72 s SER 3 Ca 0.62 1.40 -0.01 0.00 0.48 0.00 0.00 55.95 58.45 1s72 s SER 3 Cb -0.56 -2.46 0.46 0.00 0.10 0.00 0.00 66.02 63.56 1s72 s SER 3 CO 0.53 -0.82 1.89 0.00 0.98 0.00 0.00 173.24 175.83 1s72 h ALA 4 N -0.13 1.32 -1.00 5.32 0.00 -2.03 -2.42 119.26 120.31 1s72 h ALA 4 Ca -0.45 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.42 1s72 h ALA 4 Cb 1.19 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1s72 h ALA 4 CO 0.62 0.52 0.64 1.88 0.00 0.00 0.00 179.25 182.90 1s72 h TYR 5 N 0.87 1.16 -0.23 0.00 -1.99 -2.01 -0.66 116.97 114.11 1s72 h TYR 5 Ca 0.21 0.03 0.07 0.00 2.00 0.00 0.00 58.73 61.04 1s72 h TYR 5 Cb 0.14 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 38.48 1s72 h TYR 5 CO 0.01 0.51 0.33 0.66 -0.00 0.00 0.00 178.16 179.67 1s72 h SER 6 N 1.05 0.00 0.88 3.88 4.64 -1.81 0.70 113.55 122.89 1s72 h SER 6 Ca 0.48 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.60 1s72 h SER 6 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1s72 h SER 6 CO -0.23 0.00 -0.95 1.88 -0.87 0.00 0.00 176.83 176.66 1s72 h TYR 7 N 0.00 0.06 -0.20 4.77 -1.99 -1.23 -1.58 116.97 116.80 1s72 h TYR 7 Ca 0.11 -0.04 -0.14 0.00 2.00 0.00 0.00 58.73 60.66 1s72 h TYR 7 Cb 0.76 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.49 1s72 h TYR 7 CO 0.00 0.96 -0.41 0.82 -0.00 0.00 0.00 178.16 179.53 1s72 h ILE 8 N 0.01 1.32 -0.08 -2.88 2.04 -0.95 -2.07 117.51 114.91 1s72 h ILE 8 Ca -0.02 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.20 1s72 h ILE 8 Cb 1.66 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 1s72 h ILE 8 CO 0.13 0.51 0.04 -0.09 0.00 0.00 0.00 178.15 178.74 1s72 h ARG 9 N 0.32 0.09 -0.23 2.37 2.43 -1.40 -2.09 114.38 115.86 1s72 h ARG 9 Ca 0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1s72 h ARG 9 Cb 1.02 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1s72 h ARG 9 CO 0.09 0.06 -0.04 0.22 -1.51 0.00 0.00 179.97 178.79 1s72 h ASP 10 N 0.09 0.32 -0.37 -3.80 1.82 -1.28 -2.36 116.42 110.85 1s72 h ASP 10 Ca 0.03 -0.05 -0.11 0.00 -0.39 0.00 0.00 57.03 56.51 1s72 h ASP 10 Cb -0.00 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 39.92 1s72 h ASP 10 CO -0.02 0.41 -0.19 0.00 -1.61 0.00 0.00 179.24 177.84 1s72 h ALA 11 N 1.63 0.52 0.00 -0.78 0.00 -1.01 -2.93 119.26 116.69 1s72 h ALA 11 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1s72 h ALA 11 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1s72 h ALA 11 CO 0.01 0.46 0.00 0.91 0.00 0.00 0.00 179.25 180.63 1s72 n TRP 12 N -4.28 0.00 0.18 0.00 7.02 -0.82 -2.52 117.44 117.02 1s72 n TRP 12 Ca -0.02 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.49 1s72 n TRP 12 Cb 0.42 -0.19 0.35 0.00 -2.42 0.00 0.00 31.31 29.47 1s72 n TRP 12 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1s72 h GLU 13 N 0.00 0.00 -2.27 -0.99 5.08 -1.28 -3.33 114.58 111.79 1s72 h GLU 13 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1s72 h GLU 13 Cb 0.13 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.98 1s72 h GLU 13 CO 0.00 0.40 -0.91 0.09 -1.00 0.00 0.00 179.01 177.60 1s72 n ASN 14 N -3.85 1.06 0.00 1.42 3.02 -1.05 -4.96 115.26 110.90 1s72 n ASN 14 Ca -0.01 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.72 1s72 n ASN 14 Cb 0.46 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1s72 n ASN 14 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1s72 n PRO 15 N 1.75 0.00 -0.07 3.52 -0.04 -1.25 -1.62 135.00 137.28 1s72 n PRO 15 Ca 0.25 0.32 0.10 0.00 -0.04 0.00 0.00 63.50 64.13 1s72 n PRO 15 Cb 0.47 -1.53 0.13 0.00 -0.04 0.00 0.00 33.50 32.53 1s72 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s72 n GLY 16 N -1.30 1.09 3.55 0.55 0.00 -1.26 -3.57 105.19 104.24 1s72 n GLY 16 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 1s72 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s72 s ASP 17 N -1.56 3.42 0.82 1.61 1.01 -0.64 -4.75 116.67 116.59 1s72 s ASP 17 Ca 0.28 -1.33 0.00 0.00 0.71 0.00 0.00 52.55 52.21 1s72 s ASP 17 Cb 0.18 -0.30 0.00 0.00 1.01 0.00 0.00 42.92 43.81 1s72 s ASP 17 CO 0.27 -0.44 0.00 0.61 0.21 0.00 0.00 175.17 175.82 1s72 n GLY 18 N -0.84 0.92 0.34 0.21 0.00 -1.26 -2.26 105.19 102.30 1s72 n GLY 18 Ca -0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.18 1s72 n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1s72 h GLN 19 N 0.00 1.20 -0.81 1.61 4.20 -1.98 -2.52 115.11 116.80 1s72 h GLN 19 Ca 0.00 -0.12 0.11 0.00 0.06 0.00 0.00 58.65 58.70 1s72 h GLN 19 Cb 0.00 -0.25 -0.08 0.00 0.30 0.00 0.00 27.48 27.45 1s72 h GLN 19 CO 0.00 0.85 0.44 1.25 -0.67 0.00 0.00 178.83 180.70 1s72 h LEU 20 N 1.21 0.59 -0.67 1.46 5.85 -1.90 -0.50 115.31 121.35 1s72 h LEU 20 Ca 0.31 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.19 1s72 h LEU 20 Cb -0.03 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1s72 h LEU 20 CO -0.06 0.31 0.31 0.00 -0.34 0.00 0.00 178.44 178.66 1s72 h ALA 21 N 1.48 0.91 -0.20 1.25 0.00 -1.00 -1.04 119.26 120.66 1s72 h ALA 21 Ca 0.41 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.24 1s72 h ALA 21 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1s72 h ALA 21 CO -0.29 -0.10 -0.45 1.49 0.00 0.00 0.00 179.25 179.90 1s72 h GLU 22 N 0.53 0.51 0.09 0.00 4.81 -1.15 -2.18 114.58 117.20 1s72 h GLU 22 Ca 0.33 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1s72 h GLU 22 Cb 0.37 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1s72 h GLU 22 CO -0.28 0.86 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.74 1s72 h LEU 23 N 0.41 -0.11 -0.18 1.64 3.38 -0.32 -2.06 115.31 118.08 1s72 h LEU 23 Ca 0.03 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1s72 h LEU 23 Cb 0.95 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1s72 h LEU 23 CO 0.08 -0.04 -0.10 1.56 0.09 0.00 0.00 178.44 180.04 1s72 h GLN 24 N -0.17 -0.09 -0.63 1.13 1.08 -1.15 0.71 115.11 115.99 1s72 h GLN 24 Ca -0.01 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.33 1s72 h GLN 24 Cb 0.14 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 1s72 h GLN 24 CO 0.02 -0.06 0.43 2.35 -0.95 0.00 0.00 178.83 180.63 1s72 h TRP 25 N -0.09 0.30 0.00 2.96 7.01 -1.28 -0.23 115.95 124.63 1s72 h TRP 25 Ca 0.10 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1s72 h TRP 25 Cb 0.24 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 1s72 h TRP 25 CO -0.25 0.12 -0.07 1.96 -2.79 0.00 0.00 178.44 177.41 1s72 h GLN 26 N 0.27 0.00 -0.14 2.65 4.20 -0.38 -3.38 115.11 118.33 1s72 h GLN 26 Ca 0.30 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.04 1s72 h GLN 26 Cb 0.82 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 1s72 h GLN 26 CO -0.07 0.76 -0.06 0.00 -0.67 0.00 0.00 178.83 178.79 1s72 h ARG 27 N -1.00 -0.04 -0.61 1.46 3.08 0.77 -2.80 114.38 115.24 1s72 h ARG 27 Ca -0.02 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.21 1s72 h ARG 27 Cb 0.79 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1s72 h ARG 27 CO -0.01 -0.03 0.47 1.96 -1.07 0.00 0.00 179.97 181.29 1s72 h GLN 28 N -0.04 0.00 -0.82 0.04 4.20 -1.25 0.18 115.11 117.42 1s72 h GLN 28 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1s72 h GLN 28 Cb 0.15 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1s72 h GLN 28 CO -0.17 0.00 0.49 1.96 -0.67 0.00 0.00 178.83 180.44 1s72 h GLN 29 N 0.00 1.12 0.08 1.46 4.20 -1.66 0.17 115.11 120.48 1s72 h GLN 29 Ca 0.29 -0.11 -0.28 0.00 0.06 0.00 0.00 58.65 58.61 1s72 h GLN 29 Cb 1.23 -0.23 0.02 0.00 0.30 0.00 0.00 27.48 28.80 1s72 h GLN 29 CO -0.00 0.80 -1.16 0.93 -0.67 0.00 0.00 178.83 178.72 1s72 h GLU 30 N 1.13 0.56 -0.27 1.46 5.08 -0.83 -3.29 114.58 118.43 1s72 h GLU 30 Ca 0.29 -0.71 0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1s72 h GLU 30 Cb -0.03 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1s72 h GLU 30 CO -0.05 1.30 0.15 -1.49 -1.00 0.00 0.00 179.01 177.92 1s72 h TRP 31 N 0.26 0.28 0.00 4.33 6.55 -0.71 -0.85 115.95 125.82 1s72 h TRP 31 Ca -0.15 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.69 1s72 h TRP 31 Cb 1.83 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 30.04 1s72 h TRP 31 CO 0.10 0.17 0.11 0.00 -1.05 0.00 0.00 178.44 177.76 1s72 h ARG 32 N 0.31 0.00 -0.02 0.49 3.08 -0.76 0.26 114.38 117.75 1s72 h ARG 32 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1s72 h ARG 32 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1s72 h ARG 32 CO -0.05 0.00 -0.27 0.09 -1.07 0.00 0.00 179.97 178.67 1s72 n ASN 33 N -2.61 2.32 -4.81 7.04 3.02 -0.36 -4.96 115.26 114.91 1s72 n ASN 33 Ca -0.02 -1.66 -0.23 0.00 -0.03 0.00 0.00 54.58 52.63 1s72 n ASN 33 Cb 0.16 0.26 0.08 0.00 -0.61 0.00 0.00 39.78 39.67 1s72 n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s72 s GLU 34 N -2.28 2.05 0.00 3.52 2.02 0.92 -5.11 118.70 119.82 1s72 s GLU 34 Ca 0.23 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.40 1s72 s GLU 34 Cb 0.19 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1s72 s GLU 34 CO 0.46 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.97 1s72 n GLY 35 N -2.70 -0.76 0.19 -1.39 0.00 -1.26 -4.99 105.19 94.27 1s72 n GLY 35 Ca 0.11 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 1s72 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 h ALA 36 N -1.82 0.43 -3.43 4.61 0.00 -1.91 -3.42 119.26 113.71 1s72 h ALA 36 Ca 0.00 -0.24 -0.59 0.00 0.00 0.00 0.00 54.91 54.08 1s72 h ALA 36 Cb 0.00 -0.12 -0.38 0.00 0.00 0.00 0.00 17.79 17.30 1s72 h ALA 36 CO 0.00 0.20 -0.80 0.08 0.00 0.00 0.00 179.25 178.73 1s72 s VAL 37 N -4.97 1.36 -0.21 0.00 1.01 -1.26 -1.80 120.40 114.53 1s72 s VAL 37 Ca -0.13 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 1s72 s VAL 37 Cb 0.09 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.95 1s72 s VAL 37 CO 0.77 0.07 -0.13 -1.61 0.00 0.00 0.00 175.10 174.20 1s72 s GLU 38 N 1.51 2.96 0.14 2.72 0.41 -0.35 -4.96 118.70 121.13 1s72 s GLU 38 Ca -0.02 -0.87 -0.30 0.00 -0.41 0.00 0.00 54.97 53.37 1s72 s GLU 38 Cb -0.16 -2.77 -0.08 0.00 -1.78 0.00 0.00 34.13 29.34 1s72 s GLU 38 CO -0.08 -0.28 1.27 0.50 -0.49 0.00 0.00 175.26 176.18 1s72 s ARG 39 N 1.32 4.41 -0.01 1.61 3.52 -1.26 -0.90 118.95 127.64 1s72 s ARG 39 Ca 0.03 1.93 0.08 0.00 -0.13 0.00 0.00 55.73 57.64 1s72 s ARG 39 Cb -0.15 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 1s72 s ARG 39 CO -0.09 -0.25 -0.26 0.96 -0.81 0.00 0.00 175.30 174.86 1s72 s ILE 40 N 0.54 2.04 0.29 4.11 -4.36 -0.63 -4.94 121.20 118.25 1s72 s ILE 40 Ca 0.58 -1.16 -0.01 0.00 -0.26 0.00 0.00 60.65 59.80 1s72 s ILE 40 Cb -0.34 -1.71 0.17 0.00 1.25 0.00 0.00 42.46 41.84 1s72 s ILE 40 CO 0.34 0.53 1.85 -0.33 0.24 0.00 0.00 174.94 177.56 1s72 h GLU 41 N 5.35 0.84 -4.82 0.37 5.08 -1.95 -3.39 114.58 116.06 1s72 h GLU 41 Ca -0.43 -0.16 -0.36 0.00 -1.00 0.00 0.00 59.36 57.41 1s72 h GLU 41 Cb 1.13 -0.13 -0.25 0.00 0.50 0.00 0.00 28.75 29.99 1s72 h GLU 41 CO 0.46 0.73 -0.77 1.03 -1.00 0.00 0.00 179.01 179.47 1s72 s ARG 42 N -5.28 0.68 0.25 2.33 1.81 -1.26 -4.96 118.95 112.52 1s72 s ARG 42 Ca -0.10 -0.59 -0.30 0.00 -1.72 0.00 0.00 55.73 53.02 1s72 s ARG 42 Cb 0.16 -0.61 -0.10 0.00 -0.45 0.00 0.00 34.95 33.95 1s72 s ARG 42 CO 0.80 0.15 1.43 -2.14 -0.68 0.00 0.00 175.30 174.85 1s72 s PRO 43 N -0.97 4.28 0.40 3.54 0.02 -1.26 -4.93 135.00 136.08 1s72 s PRO 43 Ca -0.02 2.28 0.14 0.00 0.02 0.00 0.00 61.00 63.43 1s72 s PRO 43 Cb -0.07 -3.11 0.83 0.00 0.02 0.00 0.00 34.50 32.17 1s72 s PRO 43 CO 0.01 -0.40 1.88 1.15 -0.33 0.00 0.00 177.00 179.30 1s72 h THR 44 N 3.54 1.18 -2.65 0.99 2.02 -2.00 -3.30 112.91 112.69 1s72 h THR 44 Ca -0.46 -1.09 -0.61 0.00 0.77 0.00 0.00 66.41 65.02 1s72 h THR 44 Cb 1.22 1.59 -0.42 0.00 -1.74 0.00 0.00 68.15 68.80 1s72 h THR 44 CO 0.77 0.31 -0.61 0.54 0.37 0.00 0.00 175.52 176.90 1s72 n ARG 45 N -4.11 2.06 -0.31 6.66 1.74 -1.26 -4.97 116.66 116.48 1s72 n ARG 45 Ca -0.02 -4.50 0.15 0.00 -0.77 0.00 0.00 57.85 52.71 1s72 n ARG 45 Cb 0.36 -2.23 0.33 0.00 -1.02 0.00 0.00 32.46 29.90 1s72 n ARG 45 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1s72 h LEU 46 N 4.83 0.20 -0.18 0.55 6.46 -1.98 -0.63 115.31 124.55 1s72 h LEU 46 Ca 0.17 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 58.11 1s72 h LEU 46 Cb 0.72 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 1s72 h LEU 46 CO 0.75 -0.10 0.08 -2.24 -0.62 0.00 0.00 178.44 176.31 1s72 h ASP 47 N 0.29 0.25 -0.57 1.25 2.03 -1.93 -0.97 116.42 116.77 1s72 h ASP 47 Ca 0.59 -0.14 -0.01 0.00 -0.73 0.00 0.00 57.03 56.73 1s72 h ASP 47 Cb 1.20 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 39.61 1s72 h ASP 47 CO -0.61 0.32 0.32 0.50 -1.03 0.00 0.00 179.24 178.75 1s72 h LYS 48 N 0.16 0.78 0.00 4.15 1.63 -1.59 -0.92 116.57 120.79 1s72 h LYS 48 Ca 0.06 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1s72 h LYS 48 Cb 0.15 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1s72 h LYS 48 CO -0.01 0.59 -0.00 0.00 -3.45 0.00 0.00 179.45 176.58 1s72 h ALA 49 N 1.15 -0.00 -0.53 5.00 0.00 -0.97 -1.71 119.26 122.20 1s72 h ALA 49 Ca 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1s72 h ALA 49 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1s72 h ALA 49 CO -0.03 -0.47 0.16 0.00 0.00 0.00 0.00 179.25 178.91 1s72 h ARG 50 N -0.07 0.79 -0.08 0.00 3.08 -1.09 0.18 114.38 117.20 1s72 h ARG 50 Ca -0.00 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1s72 h ARG 50 Cb 0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1s72 h ARG 50 CO 0.00 0.69 -0.07 1.03 -1.07 0.00 0.00 179.97 180.55 1s72 h SER 51 N 0.77 0.10 0.05 7.04 0.87 -0.86 -2.30 113.55 119.22 1s72 h SER 51 Ca 0.18 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1s72 h SER 51 Cb 0.23 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1s72 h SER 51 CO -0.01 0.20 -0.14 0.00 -0.53 0.00 0.00 176.83 176.35 1s72 n GLN 52 N -4.39 1.51 0.00 2.24 6.02 -0.64 -4.93 117.38 117.19 1s72 n GLN 52 Ca -0.02 -1.04 0.00 0.00 -0.01 0.00 0.00 57.00 55.93 1s72 n GLN 52 Cb 0.19 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1s72 n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s72 n GLY 53 N 1.29 1.30 3.71 1.08 0.00 -0.83 -4.79 105.19 106.95 1s72 n GLY 53 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1s72 n GLY 53 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1s72 n TYR 54 N 0.00 2.26 -3.79 1.61 9.36 0.54 -4.94 117.16 122.21 1s72 n TYR 54 Ca 0.00 0.51 -0.13 0.00 3.32 0.00 0.00 57.90 61.60 1s72 n TYR 54 Cb 0.00 -2.40 -0.14 0.00 -0.63 0.00 0.00 39.34 36.17 1s72 n TYR 54 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1s72 s LYS 55 N -2.08 0.11 -1.15 2.98 1.02 -1.26 -4.35 119.74 115.01 1s72 s LYS 55 Ca 0.58 0.27 -0.22 0.00 0.02 0.00 0.00 55.97 56.63 1s72 s LYS 55 Cb -0.53 -0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 36.71 1s72 s LYS 55 CO 0.60 -0.10 1.79 0.00 -0.92 0.00 0.00 175.35 176.72 1s72 s ALA 56 N 0.66 2.42 0.13 5.17 0.00 -1.26 -4.77 121.76 124.11 1s72 s ALA 56 Ca -0.05 -2.31 -0.12 0.00 0.00 0.00 0.00 51.96 49.48 1s72 s ALA 56 Cb -0.07 -4.62 0.01 0.00 0.00 0.00 0.00 23.12 18.44 1s72 s ALA 56 CO -0.03 -4.26 0.33 0.21 0.00 0.00 0.00 175.76 172.01 1s72 s LYS 57 N 5.58 1.07 0.24 0.00 2.20 -1.26 -5.12 119.74 122.45 1s72 s LYS 57 Ca 0.60 -0.92 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 1s72 s LYS 57 Cb -0.00 0.42 -0.10 0.00 -1.51 0.00 0.00 37.83 36.64 1s72 s LYS 57 CO 0.05 -0.40 1.38 -0.65 -0.36 0.00 0.00 175.35 175.37 1s72 s GLN 58 N -3.87 4.32 0.00 4.03 -0.21 -1.26 -2.69 119.66 119.98 1s72 s GLN 58 Ca 0.08 2.20 0.00 0.00 0.02 0.00 0.00 55.36 57.66 1s72 s GLN 58 Cb 0.03 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.90 1s72 s GLN 58 CO -0.08 -0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 1s72 n GLY 59 N 2.14 0.78 3.68 3.09 0.00 -1.26 -4.47 105.19 109.16 1s72 n GLY 59 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1s72 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s72 s VAL 60 N -2.60 5.28 0.06 1.61 1.01 -1.10 -0.29 120.40 124.38 1s72 s VAL 60 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.19 1s72 s VAL 60 Cb 0.00 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1s72 s VAL 60 CO 0.00 0.40 -0.17 -0.63 0.00 0.00 0.00 175.10 174.70 1s72 s ILE 61 N 0.70 1.38 -0.00 2.22 1.09 0.19 -4.87 121.20 121.90 1s72 s ILE 61 Ca 0.07 -1.20 0.05 0.00 -1.10 0.00 0.00 60.65 58.46 1s72 s ILE 61 Cb -0.12 -1.24 -0.01 0.00 -1.06 0.00 0.00 42.46 40.02 1s72 s ILE 61 CO 0.01 0.01 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.02 1s72 s VAL 62 N -0.96 1.18 -0.11 2.92 1.01 -1.26 0.02 120.40 123.19 1s72 s VAL 62 Ca 0.04 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 1s72 s VAL 62 Cb -0.09 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1s72 s VAL 62 CO 0.02 0.29 0.30 0.00 0.00 0.00 0.00 175.10 175.70 1s72 s ALA 63 N -0.43 -0.73 -0.20 5.51 0.00 -0.51 -1.60 121.76 123.79 1s72 s ALA 63 Ca 0.05 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 1s72 s ALA 63 Cb -0.06 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 1s72 s ALA 63 CO -0.00 -0.16 0.19 0.50 0.00 0.00 0.00 175.76 176.29 1s72 s ARG 64 N 0.40 4.18 -0.05 0.00 3.52 -0.08 0.05 118.95 126.97 1s72 s ARG 64 Ca -0.02 -0.13 0.06 0.00 -0.13 0.00 0.00 55.73 55.51 1s72 s ARG 64 Cb -0.04 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.88 1s72 s ARG 64 CO -0.02 0.21 -0.23 0.08 -0.81 0.00 0.00 175.30 174.53 1s72 s VAL 65 N 0.61 2.24 -0.06 7.11 1.01 0.22 -1.21 120.40 130.32 1s72 s VAL 65 Ca 0.11 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1s72 s VAL 65 Cb -0.12 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1s72 s VAL 65 CO 0.01 0.57 -0.01 -0.94 0.00 0.00 0.00 175.10 174.73 1s72 s SER 66 N -0.32 5.07 0.00 3.32 1.04 -0.74 -1.83 113.70 120.24 1s72 s SER 66 Ca 0.01 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1s72 s SER 66 Cb -0.13 -1.37 -0.00 0.00 0.10 0.00 0.00 66.02 64.62 1s72 s SER 66 CO 0.02 0.35 -0.01 -0.69 0.98 0.00 0.00 173.24 173.90 1s72 s VAL 67 N -0.92 0.06 0.53 5.02 1.01 -0.07 -4.90 120.40 121.13 1s72 s VAL 67 Ca 0.15 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 1s72 s VAL 67 Cb -0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 1s72 s VAL 67 CO 0.04 -0.06 1.33 0.00 0.00 0.00 0.00 175.10 176.41 1s72 s ARG 68 N -0.22 3.23 0.60 2.72 3.03 -1.26 0.28 118.95 127.32 1s72 s ARG 68 Ca -0.02 2.16 -0.07 0.00 2.03 0.00 0.00 55.73 59.83 1s72 s ARG 68 Cb -0.02 -2.28 0.00 0.00 -1.03 0.00 0.00 34.95 31.63 1s72 s ARG 68 CO -0.00 -1.10 0.93 0.15 -1.13 0.00 0.00 175.30 174.15 1s72 s LYS 69 N -2.88 3.02 0.00 3.89 1.02 -0.54 -4.72 119.74 119.53 1s72 s LYS 69 Ca 0.70 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.83 1s72 s LYS 69 Cb -0.39 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 1s72 s LYS 69 CO 0.46 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 1s72 n GLY 70 N -2.62 -2.60 1.90 -3.33 0.00 -1.26 -4.94 105.19 92.33 1s72 n GLY 70 Ca 0.05 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 1s72 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s72 n SER 71 N 0.00 -0.69 -4.76 1.61 3.41 -1.26 -4.93 113.62 107.00 1s72 n SER 71 Ca 0.00 -1.06 -0.41 0.00 -0.26 0.00 0.00 58.87 57.14 1s72 n SER 71 Cb 0.00 -0.52 -0.01 0.00 -0.26 0.00 0.00 64.21 63.42 1s72 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s72 s ALA 72 N -3.54 3.69 -1.04 7.33 0.00 -0.84 -4.89 121.76 122.47 1s72 s ALA 72 Ca 0.38 1.55 -0.17 0.00 0.00 0.00 0.00 51.96 53.71 1s72 s ALA 72 Cb -0.02 -3.63 0.14 0.00 0.00 0.00 0.00 23.12 19.61 1s72 s ALA 72 CO 0.28 -0.98 1.28 1.03 0.00 0.00 0.00 175.76 177.37 1s72 s ARG 73 N -0.93 3.78 -0.03 0.00 3.00 -1.26 -4.94 118.95 118.56 1s72 s ARG 73 Ca 0.60 -2.00 0.02 0.00 0.00 0.00 0.00 55.73 54.35 1s72 s ARG 73 Cb -0.47 -5.02 -0.03 0.00 0.00 0.00 0.00 34.95 29.43 1s72 s ARG 73 CO 0.52 -1.82 -0.08 0.21 0.00 0.00 0.00 175.30 174.13 1s72 s LYS 74 N 2.54 2.63 0.13 3.54 2.20 -1.26 -5.12 119.74 124.40 1s72 s LYS 74 Ca 0.38 -0.64 -0.21 0.00 -0.36 0.00 0.00 55.97 55.13 1s72 s LYS 74 Cb -0.03 -2.53 -0.07 0.00 -1.51 0.00 0.00 37.83 33.68 1s72 s LYS 74 CO -0.06 0.63 0.66 1.03 -0.36 0.00 0.00 175.35 177.26 1s72 s ARG 75 N -1.08 4.33 0.51 4.03 0.52 -1.26 -4.95 118.95 121.04 1s72 s ARG 75 Ca 0.14 0.89 -0.20 0.00 -0.52 0.00 0.00 55.73 56.04 1s72 s ARG 75 Cb -0.11 -3.18 -0.07 0.00 0.52 0.00 0.00 34.95 32.10 1s72 s ARG 75 CO 0.04 0.58 1.08 0.50 0.02 0.00 0.00 175.30 177.52 1s72 s ARG 76 N -1.28 3.61 0.40 3.54 3.52 -1.26 -4.97 118.95 122.51 1s72 s ARG 76 Ca 0.34 1.49 -0.25 0.00 -0.13 0.00 0.00 55.73 57.17 1s72 s ARG 76 Cb -0.20 -2.07 -0.11 0.00 -1.56 0.00 0.00 34.95 31.01 1s72 s ARG 76 CO 0.22 -0.62 1.10 -2.39 -0.81 0.00 0.00 175.30 172.80 1s72 n HIS 77 N -1.08 1.53 -0.67 5.12 1.44 -1.26 -4.93 115.22 115.36 1s72 n HIS 77 Ca 0.10 0.56 0.07 0.00 -2.01 0.00 0.00 57.72 56.44 1s72 n HIS 77 Cb 0.52 -2.29 0.15 0.00 0.12 0.00 0.00 29.99 28.49 1s72 n HIS 77 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1s72 n LYS 78 N 0.22 2.42 -3.56 -1.40 5.02 -1.26 -5.02 118.16 114.59 1s72 n LYS 78 Ca 0.08 -2.35 -0.11 0.00 -2.02 0.00 0.00 58.31 53.91 1s72 n LYS 78 Cb 0.38 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1s72 n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s72 n ALA 79 N -0.61 -0.61 -1.72 7.82 0.00 -1.26 -5.14 120.51 119.00 1s72 n ALA 79 Ca 0.14 -1.31 -0.42 0.00 0.00 0.00 0.00 53.44 51.85 1s72 n ALA 79 Cb 0.60 1.05 -0.01 0.00 0.00 0.00 0.00 19.45 21.09 1s72 n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 80 N -0.48 0.86 3.34 0.00 0.00 -1.26 -5.01 105.19 102.64 1s72 n GLY 80 Ca -0.02 0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 1s72 n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s72 s ARG 81 N -1.50 0.52 0.54 1.61 6.06 -1.26 -5.14 118.95 119.78 1s72 s ARG 81 Ca 0.58 0.63 -0.17 0.00 -2.50 0.00 0.00 55.73 54.27 1s72 s ARG 81 Cb -0.55 0.25 -0.06 0.00 0.06 0.00 0.00 34.95 34.65 1s72 s ARG 81 CO 0.59 -0.06 1.03 -0.98 -2.50 0.00 0.00 175.30 173.37 1s72 s ARG 82 N 0.27 3.62 0.33 5.12 1.70 -1.26 -4.85 118.95 123.88 1s72 s ARG 82 Ca -0.00 1.18 0.09 0.00 -0.47 0.00 0.00 55.73 56.53 1s72 s ARG 82 Cb -0.03 -2.08 0.98 0.00 -0.57 0.00 0.00 34.95 33.25 1s72 s ARG 82 CO 0.00 -0.56 1.55 -1.13 -1.08 0.00 0.00 175.30 174.09 1s72 n SER 83 N -1.60 0.06 -0.13 -2.89 3.41 -1.26 -0.29 113.62 110.92 1s72 n SER 83 Ca 0.08 1.67 0.15 0.00 -0.26 0.00 0.00 58.87 60.51 1s72 n SER 83 Cb 0.53 -0.68 0.53 0.00 -0.26 0.00 0.00 64.21 64.32 1s72 n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1s72 h LYS 84 N 0.00 0.35 -0.63 4.33 3.11 -2.04 -1.67 116.57 120.02 1s72 h LYS 84 Ca 0.69 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.51 1s72 h LYS 84 Cb 1.61 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.77 1s72 h LYS 84 CO -0.87 0.23 0.00 0.54 -2.81 0.00 0.00 179.45 176.54 1s72 n ARG 85 N -4.46 3.56 0.00 1.90 5.12 0.60 -4.44 116.66 118.94 1s72 n ARG 85 Ca 0.13 -2.83 0.13 0.00 -1.93 0.00 0.00 57.85 53.35 1s72 n ARG 85 Cb 0.51 -1.83 0.32 0.00 -1.16 0.00 0.00 32.46 30.30 1s72 n ARG 85 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1s72 n GLN 86 N 1.09 1.04 -1.10 5.56 6.02 -0.63 -4.88 117.38 124.47 1s72 n GLN 86 Ca 0.25 -0.67 -0.31 0.00 -0.01 0.00 0.00 57.00 56.25 1s72 n GLN 86 Cb 0.84 -1.49 0.12 0.00 1.02 0.00 0.00 30.24 30.73 1s72 n GLN 86 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1s72 s GLY 87 N -2.43 1.78 0.25 1.08 0.00 -1.26 -4.79 107.32 101.94 1s72 s GLY 87 Ca 0.25 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.43 1s72 s GLY 87 CO 0.50 0.84 0.00 -0.62 0.00 0.00 0.00 173.10 173.83 1s72 n VAL 88 N -3.64 0.00 -0.13 1.40 0.31 -1.26 -4.87 118.33 110.14 1s72 n VAL 88 Ca 0.11 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.39 1s72 n VAL 88 Cb 0.52 -0.45 0.04 0.00 -0.91 0.00 0.00 33.84 33.04 1s72 n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1s72 h THR 89 N 0.00 0.83 -0.01 2.52 2.02 -1.93 -3.15 112.91 113.20 1s72 h THR 89 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1s72 h THR 89 Cb 0.00 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1s72 h THR 89 CO 0.00 0.05 -0.22 0.54 0.37 0.00 0.00 175.52 176.26 1s72 n ARG 90 N -5.04 1.00 -2.28 6.66 1.74 -1.26 -4.86 116.66 112.62 1s72 n ARG 90 Ca 0.03 -0.61 -0.41 0.00 -0.77 0.00 0.00 57.85 56.09 1s72 n ARG 90 Cb 0.18 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 1s72 n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1s72 s ILE 91 N -2.41 3.36 0.06 0.55 1.01 -1.19 -4.97 121.20 117.61 1s72 s ILE 91 Ca 0.26 1.12 0.06 0.00 0.00 0.00 0.00 60.65 62.10 1s72 s ILE 91 Cb 0.19 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1s72 s ILE 91 CO 0.49 0.17 -0.17 0.42 0.00 0.00 0.00 174.94 175.85 1s72 s THR 92 N 0.06 1.37 0.64 2.92 -4.23 -1.26 -1.99 115.64 113.15 1s72 s THR 92 Ca 0.55 -1.23 -0.16 0.00 -1.18 0.00 0.00 61.69 59.68 1s72 s THR 92 Cb -0.35 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 1s72 s THR 92 CO 0.38 -0.01 1.12 -0.13 -0.54 0.00 0.00 174.62 175.43 1s72 s ARG 93 N -1.44 2.85 0.00 3.99 1.81 -1.26 -4.83 118.95 120.07 1s72 s ARG 93 Ca 0.03 1.45 0.27 0.00 -1.72 0.00 0.00 55.73 55.76 1s72 s ARG 93 Cb -0.09 -1.95 0.90 0.00 -0.45 0.00 0.00 34.95 33.36 1s72 s ARG 93 CO 0.02 -1.22 1.67 0.54 -0.68 0.00 0.00 175.30 175.63 1s72 n ARG 94 N -2.25 0.42 -3.90 3.54 1.74 -1.26 -4.74 116.66 110.21 1s72 n ARG 94 Ca 0.11 -0.19 -0.35 0.00 -0.77 0.00 0.00 57.85 56.64 1s72 n ARG 94 Cb 0.52 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.35 1s72 n ARG 94 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1s72 s LYS 95 N -2.71 3.85 0.69 5.56 2.20 -1.26 -5.00 119.74 123.08 1s72 s LYS 95 Ca 0.20 -0.39 -0.13 0.00 -0.36 0.00 0.00 55.97 55.30 1s72 s LYS 95 Cb 0.19 -3.29 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 1s72 s LYS 95 CO 0.56 0.07 1.08 0.16 -0.36 0.00 0.00 175.35 176.86 1s72 s ASP 96 N 0.93 5.09 0.32 1.43 -4.77 -1.26 -4.85 116.67 113.55 1s72 s ASP 96 Ca 0.04 1.82 0.06 0.00 -3.30 0.00 0.00 52.55 51.17 1s72 s ASP 96 Cb -0.14 -2.52 0.73 0.00 -1.09 0.00 0.00 42.92 39.90 1s72 s ASP 96 CO 0.03 -1.64 1.82 0.40 0.70 0.00 0.00 175.17 176.48 1s72 h ILE 97 N -0.47 0.80 -0.99 2.11 2.04 -1.97 0.22 117.51 119.25 1s72 h ILE 97 Ca -0.45 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.17 1s72 h ILE 97 Cb 1.23 -0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1s72 h ILE 97 CO 0.54 0.14 0.65 -0.61 0.00 0.00 0.00 178.15 178.88 1s72 h GLN 98 N 0.79 1.25 -0.25 2.37 4.15 -1.99 0.32 115.11 121.75 1s72 h GLN 98 Ca 0.52 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.73 1s72 h GLN 98 Cb 0.76 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1s72 h GLN 98 CO -0.29 0.83 -0.40 -0.09 -1.93 0.00 0.00 178.83 176.95 1s72 h ARG 99 N 1.28 0.58 -0.76 1.69 2.43 -1.34 -1.21 114.38 117.06 1s72 h ARG 99 Ca 0.39 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1s72 h ARG 99 Cb -0.05 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1s72 h ARG 99 CO -0.11 0.88 0.40 0.28 -1.51 0.00 0.00 179.97 179.90 1s72 h VAL 100 N 0.48 1.23 -0.54 0.20 2.07 -0.63 -2.07 116.25 117.00 1s72 h VAL 100 Ca 0.04 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1s72 h VAL 100 Cb 0.90 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1s72 h VAL 100 CO 0.08 0.27 0.34 0.00 0.02 0.00 0.00 177.57 178.28 1s72 h ALA 101 N 1.20 0.68 -0.85 1.67 0.00 -0.53 -1.43 119.26 120.01 1s72 h ALA 101 Ca 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1s72 h ALA 101 Cb 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1s72 h ALA 101 CO -0.04 0.14 0.42 0.93 0.00 0.00 0.00 179.25 180.71 1s72 h GLU 102 N 0.73 1.22 -0.26 0.00 5.08 -0.78 -2.05 114.58 118.51 1s72 h GLU 102 Ca 0.20 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1s72 h GLU 102 Cb -0.05 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1s72 h GLU 102 CO -0.04 0.93 -0.07 0.93 -1.00 0.00 0.00 179.01 179.75 1s72 h GLU 103 N 1.21 0.50 -0.38 2.33 5.08 -1.04 -1.47 114.58 120.81 1s72 h GLU 103 Ca 0.29 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1s72 h GLU 103 Cb 0.10 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1s72 h GLU 103 CO -0.04 0.73 0.24 0.00 -1.00 0.00 0.00 179.01 178.94 1s72 h ARG 104 N 0.25 0.51 0.01 2.33 3.08 -1.08 -0.82 114.38 118.66 1s72 h ARG 104 Ca 0.06 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1s72 h ARG 104 Cb 0.55 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1s72 h ARG 104 CO 0.03 0.35 -0.00 0.00 -1.07 0.00 0.00 179.97 179.27 1s72 h ALA 105 N 1.75 -0.01 -0.98 0.04 0.00 -1.20 -2.79 119.26 116.07 1s72 h ALA 105 Ca 0.14 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1s72 h ALA 105 Cb -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1s72 h ALA 105 CO -0.03 -0.24 0.63 1.03 0.00 0.00 0.00 179.25 180.65 1s72 h SER 106 N -0.55 0.99 -0.20 0.00 0.87 -0.79 -0.67 113.55 113.20 1s72 h SER 106 Ca -0.00 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 1s72 h SER 106 Cb 0.54 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1s72 h SER 106 CO 0.00 0.62 -0.10 0.03 -0.53 0.00 0.00 176.83 176.86 1s72 h ARG 107 N 1.12 0.57 -0.36 2.24 3.08 -1.18 -1.93 114.38 117.91 1s72 h ARG 107 Ca 0.43 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 1s72 h ARG 107 Cb 0.22 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1s72 h ARG 107 CO -0.18 0.66 0.08 1.15 -1.07 0.00 0.00 179.97 180.61 1s72 h THR 108 N 0.53 1.17 -2.44 2.04 2.02 -0.85 -3.22 112.91 112.16 1s72 h THR 108 Ca 0.10 -0.62 -0.63 0.00 0.77 0.00 0.00 66.41 66.03 1s72 h THR 108 Cb 0.49 0.82 -0.40 0.00 -1.74 0.00 0.00 68.15 67.32 1s72 h THR 108 CO 0.03 0.22 -0.41 0.49 0.37 0.00 0.00 175.52 176.22 1s72 n PHE 109 N -4.33 3.48 -0.49 3.16 3.01 -0.74 -4.95 117.46 116.60 1s72 n PHE 109 Ca 0.02 -4.00 0.42 0.00 1.01 0.00 0.00 57.45 54.91 1s72 n PHE 109 Cb 0.19 -0.68 0.76 0.00 -0.01 0.00 0.00 39.48 39.75 1s72 n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1s72 h PRO 110 N 4.55 0.03 0.00 -1.08 0.13 -1.54 0.56 132.00 134.65 1s72 h PRO 110 Ca 0.19 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1s72 h PRO 110 Cb 0.67 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1s72 h PRO 110 CO 0.88 0.02 -0.64 -2.95 -0.23 0.00 0.00 178.00 175.08 1s72 h ASN 111 N 0.03 0.00 -2.85 1.44 -1.07 -1.92 -3.47 115.58 107.73 1s72 h ASN 111 Ca 0.75 -0.16 -0.47 0.00 0.07 0.00 0.00 56.30 56.49 1s72 h ASN 111 Cb 2.88 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 39.15 1s72 h ASN 111 CO -0.07 0.08 -0.09 -0.76 0.07 0.00 0.00 177.43 176.66 1s72 s LEU 112 N -4.52 3.72 0.01 6.14 1.43 0.19 -4.53 118.68 121.11 1s72 s LEU 112 Ca 0.05 0.39 0.07 0.00 -1.03 0.00 0.00 54.13 53.61 1s72 s LEU 112 Cb 0.12 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 1s72 s LEU 112 CO 0.73 -0.61 -0.21 -0.13 0.23 0.00 0.00 176.35 176.36 1s72 s ARG 113 N -4.53 1.62 0.08 1.70 0.52 -0.56 -4.90 118.95 112.88 1s72 s ARG 113 Ca 0.46 -0.83 -0.31 0.00 -0.52 0.00 0.00 55.73 54.54 1s72 s ARG 113 Cb -0.10 -1.63 -0.06 0.00 0.52 0.00 0.00 34.95 33.68 1s72 s ARG 113 CO 0.38 0.44 1.24 0.08 0.02 0.00 0.00 175.30 177.45 1s72 s VAL 114 N -0.60 3.86 -0.24 3.52 1.01 -1.26 -0.50 120.40 126.18 1s72 s VAL 114 Ca 0.08 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.38 1s72 s VAL 114 Cb -0.08 -3.86 -0.18 0.00 0.00 0.00 0.00 36.38 32.26 1s72 s VAL 114 CO 0.00 0.11 -0.15 -0.11 0.00 0.00 0.00 175.10 174.96 1s72 n LEU 115 N 3.83 2.72 -3.97 3.92 -0.00 0.82 -4.81 117.00 119.51 1s72 n LEU 115 Ca 0.09 0.01 0.05 0.00 -0.00 0.00 0.00 56.01 56.16 1s72 n LEU 115 Cb 0.45 -0.93 0.01 0.00 -0.00 0.00 0.00 43.42 42.95 1s72 n LEU 115 CO 0.56 0.84 1.21 0.21 -0.00 0.00 0.00 177.39 180.21 1s72 s ASN 116 N -6.78 -0.00 0.23 1.96 3.84 -1.15 -4.73 114.94 108.31 1s72 s ASN 116 Ca -0.34 -0.01 -0.22 0.00 0.21 0.00 0.00 52.86 52.51 1s72 s ASN 116 Cb 0.10 0.01 0.04 0.00 -0.55 0.00 0.00 41.25 40.84 1s72 s ASN 116 CO 0.61 -0.01 0.67 -0.94 -2.79 0.00 0.00 177.10 174.64 1s72 s SER 117 N -3.84 -0.39 0.12 -4.21 1.04 -1.26 -0.58 113.70 104.59 1s72 s SER 117 Ca 0.30 -0.35 -0.15 0.00 0.48 0.00 0.00 55.95 56.23 1s72 s SER 117 Cb 0.01 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.84 1s72 s SER 117 CO -0.04 -1.18 0.38 -0.72 0.98 0.00 0.00 173.24 172.66 1s72 s TYR 118 N -3.84 -0.17 0.34 5.02 -0.85 -0.62 -4.99 117.35 112.25 1s72 s TYR 118 Ca 0.07 -0.16 -0.25 0.00 -0.52 0.00 0.00 57.07 56.21 1s72 s TYR 118 Cb -0.04 0.23 -0.10 0.00 0.38 0.00 0.00 41.96 42.43 1s72 s TYR 118 CO -0.01 -0.69 0.93 0.45 -1.52 0.00 0.00 175.55 174.71 1s72 s SER 119 N -2.81 7.25 -0.15 -0.18 0.15 -1.26 -0.57 113.70 116.13 1s72 s SER 119 Ca 0.03 1.79 0.17 0.00 0.70 0.00 0.00 55.95 58.64 1s72 s SER 119 Cb 0.02 -2.56 0.44 0.00 -1.71 0.00 0.00 66.02 62.20 1s72 s SER 119 CO -0.12 -0.12 1.19 1.33 1.20 0.00 0.00 173.24 176.72 1s72 n VAL 120 N 0.35 1.37 -0.41 4.45 0.24 -0.48 -4.86 118.33 118.99 1s72 n VAL 120 Ca 0.03 -2.53 0.00 0.00 -2.04 0.00 0.00 64.34 59.80 1s72 n VAL 120 Cb 0.51 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 1s72 n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s72 n GLY 121 N -0.44 -2.64 3.56 7.63 0.00 -1.25 -4.82 105.19 107.24 1s72 n GLY 121 Ca 0.16 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 1s72 n GLY 121 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s72 s GLN 122 N -0.39 1.07 0.00 1.61 -2.07 -1.26 -1.33 119.66 117.29 1s72 s GLN 122 Ca 0.00 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.08 1s72 s GLN 122 Cb 0.00 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 1s72 s GLN 122 CO 0.00 -0.47 0.00 -0.40 -1.32 0.00 0.00 175.29 173.10 1s72 n ASP 123 N -0.34 0.49 0.17 12.60 5.68 -0.87 -5.02 116.55 129.26 1s72 n ASP 123 Ca -0.10 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.22 1s72 n ASP 123 Cb 0.62 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.88 1s72 n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1s72 h GLY 124 N 0.00 0.00 0.00 6.12 0.00 -2.04 -3.37 103.07 103.78 1s72 h GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s72 h GLY 124 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 1s72 n ARG 125 N -3.71 1.24 -3.57 4.80 1.85 -1.26 -4.92 116.66 111.09 1s72 n ARG 125 Ca -0.01 -0.99 -0.11 0.00 -1.00 0.00 0.00 57.85 55.75 1s72 n ARG 125 Cb 0.54 -0.92 -0.03 0.00 -1.05 0.00 0.00 32.46 31.00 1s72 n ARG 125 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 1s72 s GLN 126 N -0.52 1.23 0.16 2.89 -2.07 -1.26 -1.47 119.66 118.61 1s72 s GLN 126 Ca 0.00 -0.64 0.10 0.00 -1.82 0.00 0.00 55.36 53.00 1s72 s GLN 126 Cb 0.00 0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 32.41 1s72 s GLN 126 CO 0.00 -0.51 -0.23 0.15 -1.32 0.00 0.00 175.29 173.37 1s72 s LYS 127 N -3.80 1.37 -0.04 9.60 1.02 0.14 -2.05 119.74 125.98 1s72 s LYS 127 Ca 0.03 -1.39 0.06 0.00 0.02 0.00 0.00 55.97 54.69 1s72 s LYS 127 Cb -0.00 -1.68 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 1s72 s LYS 127 CO -0.10 0.37 -0.24 -1.58 -0.92 0.00 0.00 175.35 172.88 1s72 s TRP 128 N -1.49 2.24 0.02 3.18 0.51 -0.44 -0.89 118.94 122.07 1s72 s TRP 128 Ca 0.15 -0.59 0.02 0.00 -2.12 0.00 0.00 56.10 53.56 1s72 s TRP 128 Cb -0.08 -1.47 -0.02 0.00 -0.81 0.00 0.00 33.47 31.09 1s72 s TRP 128 CO 0.07 -0.15 -0.07 -1.01 -0.51 0.00 0.00 176.95 175.28 1s72 s HIS 129 N -0.26 0.63 -0.18 -1.98 3.76 -0.76 -1.38 115.29 115.12 1s72 s HIS 129 Ca 0.00 -0.32 -0.05 0.00 -0.15 0.00 0.00 55.06 54.54 1s72 s HIS 129 Cb -0.12 -0.38 -0.03 0.00 1.11 0.00 0.00 32.58 33.16 1s72 s HIS 129 CO 0.02 -0.05 -0.00 -1.21 -0.85 0.00 0.00 174.74 172.65 1s72 s GLU 130 N -0.96 3.72 -0.11 1.40 2.02 0.26 -0.61 118.70 124.42 1s72 s GLU 130 Ca -0.04 -0.48 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 1s72 s GLU 130 Cb -0.07 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 1s72 s GLU 130 CO 0.00 0.18 0.01 0.08 0.02 0.00 0.00 175.26 175.55 1s72 s VAL 131 N 0.57 4.36 -0.29 2.63 1.01 0.11 -1.59 120.40 127.19 1s72 s VAL 131 Ca -0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 1s72 s VAL 131 Cb -0.14 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1s72 s VAL 131 CO 0.02 0.58 0.16 -0.63 0.00 0.00 0.00 175.10 175.23 1s72 s ILE 132 N -0.59 4.92 0.24 2.22 1.01 0.25 -1.43 121.20 127.82 1s72 s ILE 132 Ca 0.10 -0.12 0.10 0.00 0.00 0.00 0.00 60.65 60.73 1s72 s ILE 132 Cb -0.12 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1s72 s ILE 132 CO 0.02 0.18 -0.06 -0.76 0.00 0.00 0.00 174.94 174.32 1s72 s LEU 133 N 1.69 3.04 -0.01 2.97 1.02 0.10 -0.12 118.68 127.37 1s72 s LEU 133 Ca 0.06 -0.67 0.03 0.00 0.02 0.00 0.00 54.13 53.57 1s72 s LEU 133 Cb -0.16 -1.62 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 1s72 s LEU 133 CO 0.08 0.04 -0.11 -0.63 0.02 0.00 0.00 176.35 175.76 1s72 s ILE 134 N -2.13 0.85 -0.63 -0.59 -1.09 0.34 -0.64 121.20 117.31 1s72 s ILE 134 Ca 0.29 -0.46 -0.22 0.00 -2.23 0.00 0.00 60.65 58.03 1s72 s ILE 134 Cb -0.07 -0.71 0.08 0.00 -1.58 0.00 0.00 42.46 40.17 1s72 s ILE 134 CO 0.18 0.24 0.90 -0.62 -1.23 0.00 0.00 174.94 174.40 1s72 s ASP 135 N -0.26 6.18 0.00 3.58 -1.08 0.60 -1.49 116.67 124.20 1s72 s ASP 135 Ca 0.04 -1.05 0.16 0.00 -0.52 0.00 0.00 52.55 51.18 1s72 s ASP 135 Cb -0.04 -2.39 0.86 0.00 -1.46 0.00 0.00 42.92 39.89 1s72 s ASP 135 CO -0.00 -1.35 1.39 -0.81 0.52 0.00 0.00 175.17 174.92 1s72 n PRO 136 N 7.36 0.37 -0.00 4.34 -0.04 -1.26 -2.61 135.00 143.15 1s72 n PRO 136 Ca -0.05 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.55 1s72 n PRO 136 Cb 0.45 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 1s72 n PRO 136 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1s72 n ASN 137 N -1.13 0.76 -4.70 3.54 3.02 -1.26 -4.79 115.26 110.69 1s72 n ASN 137 Ca 0.10 -0.77 -0.42 0.00 -0.03 0.00 0.00 54.58 53.46 1s72 n ASN 137 Cb 0.09 1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 40.28 1s72 n ASN 137 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1s72 s HIS 138 N -2.42 3.55 0.65 3.10 2.46 -1.07 -4.93 115.29 116.63 1s72 s HIS 138 Ca 0.05 1.59 0.38 0.00 0.47 0.00 0.00 55.06 57.55 1s72 s HIS 138 Cb 0.11 -3.19 2.14 0.00 -0.13 0.00 0.00 32.58 31.51 1s72 s HIS 138 CO 0.59 -0.30 2.27 -1.00 -2.47 0.00 0.00 174.74 173.83 1s72 h PRO 139 N 6.96 0.00 0.00 2.88 0.13 -1.93 -0.11 132.00 139.93 1s72 h PRO 139 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1s72 h PRO 139 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1s72 h PRO 139 CO 0.80 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.57 1s72 h ALA 140 N 1.89 1.00 0.00 -0.56 0.00 -1.92 -2.55 119.26 117.12 1s72 h ALA 140 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.54 1s72 h ALA 140 Cb 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1s72 h ALA 140 CO -0.00 0.00 -2.43 -0.89 0.00 0.00 0.00 179.25 175.93 1s72 n ILE 141 N -2.96 1.43 0.30 0.00 5.41 -0.14 -3.91 119.36 119.49 1s72 n ILE 141 Ca 0.01 -0.67 0.15 0.00 1.00 0.00 0.00 62.75 63.25 1s72 n ILE 141 Cb 0.32 -1.07 0.71 0.00 -0.71 0.00 0.00 39.64 38.90 1s72 n ILE 141 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1s72 h GLN 142 N 0.00 0.00 -0.19 0.38 4.20 -1.24 -1.77 115.11 116.50 1s72 h GLN 142 Ca -0.56 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.15 1s72 h GLN 142 Cb 2.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.79 1s72 h GLN 142 CO -0.05 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.20 1s72 n ASN 143 N -2.60 2.66 -4.59 1.46 3.02 -0.97 -4.81 115.26 109.43 1s72 n ASN 143 Ca -0.00 -1.78 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 1s72 n ASN 143 Cb 0.16 -0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 39.15 1s72 n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s72 s ASP 144 N -1.19 6.46 0.34 6.41 -1.08 -0.67 -4.93 116.67 122.00 1s72 s ASP 144 Ca 0.23 0.33 0.25 0.00 -0.52 0.00 0.00 52.55 52.85 1s72 s ASP 144 Cb 0.14 -2.32 1.20 0.00 -1.46 0.00 0.00 42.92 40.48 1s72 s ASP 144 CO 0.20 -0.49 1.76 0.44 0.52 0.00 0.00 175.17 177.61 1s72 h ASP 145 N 8.26 0.00 0.55 -0.34 3.32 -1.91 0.23 116.42 126.53 1s72 h ASP 145 Ca -0.27 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.69 1s72 h ASP 145 Cb 1.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 1s72 h ASP 145 CO 0.80 0.00 -1.52 0.47 -1.72 0.00 0.00 179.24 177.27 1s72 n ASP 146 N -2.37 0.55 -0.00 6.45 8.00 -1.26 -4.58 116.55 123.33 1s72 n ASP 146 Ca 0.00 0.23 0.01 0.00 0.71 0.00 0.00 54.79 55.74 1s72 n ASP 146 Cb 0.14 0.81 -0.02 0.00 -0.02 0.00 0.00 41.12 42.03 1s72 n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s72 n LEU 147 N -2.64 0.00 -0.03 0.64 4.77 -0.97 -4.72 117.00 114.04 1s72 n LEU 147 Ca -0.07 0.00 0.24 0.00 -0.03 0.00 0.00 56.01 56.15 1s72 n LEU 147 Cb 0.70 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 42.48 1s72 n LEU 147 CO 0.43 0.00 1.22 0.77 -1.33 0.00 0.00 177.39 178.48 1s72 h SER 148 N 0.00 0.00 -0.81 -1.43 4.64 -0.57 -0.70 113.55 114.68 1s72 h SER 148 Ca -0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1s72 h SER 148 Cb 0.13 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 1s72 h SER 148 CO 0.00 0.00 0.53 4.11 -0.87 0.00 0.00 176.83 180.60 1s72 h TRP 149 N 0.00 0.65 0.00 4.77 5.08 -1.84 0.24 115.95 124.85 1s72 h TRP 149 Ca 0.31 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.30 1s72 h TRP 149 Cb 1.63 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 27.59 1s72 h TRP 149 CO 0.00 0.25 0.00 1.51 -1.28 0.00 0.00 178.44 178.92 1s72 n ILE 150 N -4.51 0.59 0.34 0.12 3.06 -0.27 -2.59 119.36 116.10 1s72 n ILE 150 Ca 0.15 0.15 0.12 0.00 -2.50 0.00 0.00 62.75 60.67 1s72 n ILE 150 Cb 0.48 -0.94 0.14 0.00 0.54 0.00 0.00 39.64 39.87 1s72 n ILE 150 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1s72 n ALA 152 N -2.00 1.56 -0.35 0.00 0.00 -1.07 -4.90 120.51 113.75 1s72 n ALA 152 Ca 0.03 0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.70 1s72 n ALA 152 Cb 0.50 -2.34 0.26 0.00 0.00 0.00 0.00 19.45 17.86 1s72 n ALA 152 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1s72 h ASP 153 N 1.60 0.90 0.07 0.00 3.32 -1.92 -0.93 116.42 119.45 1s72 h ASP 153 Ca -0.50 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1s72 h ASP 153 Cb 1.30 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1s72 h ASP 153 CO 0.58 0.47 0.00 -0.90 -1.72 0.00 0.00 179.24 177.67 1s72 n ASP 154 N -4.62 0.00 -1.10 6.45 5.68 -1.26 -1.19 116.55 120.52 1s72 n ASP 154 Ca 0.19 -0.12 0.12 0.00 -0.50 0.00 0.00 54.79 54.48 1s72 n ASP 154 Cb 0.37 -0.12 0.18 0.00 -1.14 0.00 0.00 41.12 40.42 1s72 n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s72 n GLN 155 N -1.12 2.45 -1.93 0.11 1.13 -0.35 -4.89 117.38 112.77 1s72 n GLN 155 Ca 0.06 -2.19 -0.42 0.00 -1.94 0.00 0.00 57.00 52.52 1s72 n GLN 155 Cb 0.05 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 1s72 n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s72 s ALA 156 N -1.62 3.70 -1.67 -1.58 0.00 -0.33 -2.47 121.76 117.78 1s72 s ALA 156 Ca 0.35 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1s72 s ALA 156 Cb 0.22 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1s72 s ALA 156 CO 0.31 -0.81 0.00 -0.25 0.00 0.00 0.00 175.76 175.01 1s72 n ASP 157 N 2.74 -5.30 -0.31 0.00 8.00 -1.26 -4.87 116.55 115.54 1s72 n ASP 157 Ca 0.09 0.12 0.16 0.00 0.71 0.00 0.00 54.79 55.87 1s72 n ASP 157 Cb 0.39 -4.49 0.35 0.00 -0.02 0.00 0.00 41.12 37.35 1s72 n ASP 157 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1s72 h ARG 158 N 0.00 0.26 -0.75 -1.24 0.11 -1.83 -0.44 114.38 110.49 1s72 h ARG 158 Ca -0.43 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 59.64 1s72 h ARG 158 Cb 1.31 -0.06 -0.04 0.00 1.11 0.00 0.00 29.97 32.29 1s72 h ARG 158 CO 0.53 0.17 0.49 -0.24 0.10 0.00 0.00 179.97 181.02 1s72 h VAL 159 N 0.27 1.20 0.00 0.08 3.04 -1.88 -1.55 116.25 117.40 1s72 h VAL 159 Ca 0.61 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 1s72 h VAL 159 Cb 1.27 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 1s72 h VAL 159 CO -0.63 0.19 0.00 0.49 -1.01 0.00 0.00 177.57 176.61 1s72 n PHE 160 N -4.41 0.51 -0.49 3.17 3.01 -0.18 -2.59 117.46 116.47 1s72 n PHE 160 Ca 0.08 0.18 0.07 0.00 1.01 0.00 0.00 57.45 58.79 1s72 n PHE 160 Cb 0.04 -0.78 0.21 0.00 -0.01 0.00 0.00 39.48 38.93 1s72 n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1s72 n ARG 161 N -1.94 2.98 -1.59 -1.08 1.74 -0.67 -4.97 116.66 111.13 1s72 n ARG 161 Ca 0.04 -2.41 -0.10 0.00 -0.77 0.00 0.00 57.85 54.61 1s72 n ARG 161 Cb 0.29 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 1s72 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s72 n GLY 162 N 0.26 0.78 0.38 -0.13 0.00 -1.07 -4.91 105.19 100.51 1s72 n GLY 162 Ca 0.16 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.76 1s72 n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s72 n LEU 163 N -1.28 1.15 -4.87 0.99 4.77 -0.73 -3.10 117.00 113.93 1s72 n LEU 163 Ca -0.11 -0.48 -0.30 0.00 -0.03 0.00 0.00 56.01 55.09 1s72 n LEU 163 Cb 0.42 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1s72 n LEU 163 CO 0.15 0.24 0.74 -0.89 -1.33 0.00 0.00 177.39 176.31 1s72 s THR 164 N -1.85 3.65 0.12 -5.08 2.01 -1.26 -4.82 115.64 108.41 1s72 s THR 164 Ca 0.30 0.54 -0.18 0.00 0.31 0.00 0.00 61.69 62.66 1s72 s THR 164 Cb 0.16 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1s72 s THR 164 CO 0.24 -0.70 1.70 1.23 -0.69 0.00 0.00 174.62 176.41 1s72 h GLY 165 N -0.64 0.45 1.93 4.40 0.00 -1.90 0.22 103.07 107.53 1s72 h GLY 165 Ca -0.45 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 1s72 h GLY 165 CO 0.63 0.21 -0.30 0.00 0.00 0.00 0.00 176.54 177.08 1s72 h ALA 166 N 1.01 1.42 -0.05 3.60 0.00 -1.94 -2.21 119.26 121.10 1s72 h ALA 166 Ca 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1s72 h ALA 166 Cb 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1s72 h ALA 166 CO -0.01 0.42 0.00 0.78 0.00 0.00 0.00 179.25 180.44 1s72 h GLY 167 N 0.96 0.10 1.14 0.00 0.00 -1.53 -2.03 103.07 101.72 1s72 h GLY 167 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1s72 h GLY 167 CO 0.04 0.07 0.25 3.21 0.00 0.00 0.00 176.54 180.11 1s72 h ARG 168 N -0.19 1.09 -0.11 4.80 3.08 -0.41 -1.25 114.38 121.37 1s72 h ARG 168 Ca 0.02 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1s72 h ARG 168 Cb 0.32 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1s72 h ARG 168 CO 0.00 0.91 -0.05 0.00 -1.07 0.00 0.00 179.97 179.75 1s72 h ARG 169 N 1.05 0.24 0.00 0.04 3.08 -1.44 -2.25 114.38 115.11 1s72 h ARG 169 Ca 0.24 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1s72 h ARG 169 Cb 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1s72 h ARG 169 CO -0.01 0.58 0.00 -0.97 -1.07 0.00 0.00 179.97 178.50 1s72 h ASN 170 N -0.11 0.00 -0.04 7.04 -1.24 -1.18 0.12 115.58 120.17 1s72 h ASN 170 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1s72 h ASN 170 Cb 0.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1s72 h ASN 170 CO 0.02 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.70 1s72 n ARG 171 N -2.59 1.77 -1.44 6.67 1.74 -0.49 -4.93 116.66 117.39 1s72 n ARG 171 Ca -0.01 -1.12 -0.02 0.00 -0.77 0.00 0.00 57.85 55.92 1s72 n ARG 171 Cb 0.09 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 1s72 n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s72 n GLY 172 N 1.20 0.45 0.63 -0.13 0.00 0.43 -4.80 105.19 102.97 1s72 n GLY 172 Ca 0.18 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.42 1s72 n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s72 n LEU 173 N -0.30 1.92 0.16 0.99 4.77 -0.88 -4.42 117.00 119.24 1s72 n LEU 173 Ca -0.03 -0.74 -0.14 0.00 -0.03 0.00 0.00 56.01 55.08 1s72 n LEU 173 Cb 0.25 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1s72 n LEU 173 CO 0.03 0.37 0.73 0.28 -1.33 0.00 0.00 177.39 177.47 1s72 h SER 174 N 2.72 -0.55 -3.90 -1.43 0.02 -1.82 -3.43 113.55 105.16 1s72 h SER 174 Ca 0.00 0.05 -0.48 0.00 -0.84 0.00 0.00 61.79 60.52 1s72 h SER 174 Cb 0.59 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1s72 h SER 174 CO 0.00 -0.31 0.38 -0.83 -1.14 0.00 0.00 176.83 174.92 1s72 s GLY 175 N -2.28 2.80 -0.00 -3.77 0.00 -1.26 -4.97 107.32 97.84 1s72 s GLY 175 Ca -0.15 0.60 0.20 0.00 0.00 0.00 0.00 44.72 45.37 1s72 s GLY 175 CO 0.65 1.06 0.80 0.28 0.00 0.00 0.00 173.10 175.89 1s72 n LYS 176 N 0.43 0.34 0.00 2.90 5.02 -1.26 -4.73 118.16 120.86 1s72 n LYS 176 Ca 0.03 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1s72 n LYS 176 Cb 0.49 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1s72 n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s72 n GLY 177 N 1.46 1.87 3.61 0.72 0.00 -1.26 -4.96 105.19 106.62 1s72 n GLY 177 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 1s72 n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s72 n LYS 178 N 0.00 1.49 0.00 1.61 4.81 -1.26 -2.29 118.16 122.52 1s72 n LYS 178 Ca 0.00 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1s72 n LYS 178 Cb 0.00 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.03 1s72 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s72 n GLY 179 N 1.67 3.13 1.73 3.14 0.00 -1.26 -4.91 105.19 108.69 1s72 n GLY 179 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 1s72 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s72 n SER 180 N 0.00 4.32 -0.18 1.61 3.41 -0.97 -4.57 113.62 117.24 1s72 n SER 180 Ca 0.00 -3.29 -0.03 0.00 -0.26 0.00 0.00 58.87 55.29 1s72 n SER 180 Cb 0.00 -0.71 0.16 0.00 -0.26 0.00 0.00 64.21 63.41 1s72 n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1s72 h GLU 181 N 2.22 0.95 -0.12 4.33 3.07 -1.90 -2.98 114.58 120.14 1s72 h GLU 181 Ca 0.24 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1s72 h GLU 181 Cb 2.14 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.89 1s72 h GLU 181 CO 0.63 0.80 0.00 1.63 -1.40 0.00 0.00 179.01 180.67 1s72 n LYS 182 N -4.29 2.26 -0.11 2.33 4.76 -1.26 -4.58 118.16 117.27 1s72 n LYS 182 Ca 0.05 -1.85 -0.23 0.00 -2.87 0.00 0.00 58.31 53.41 1s72 n LYS 182 Cb 0.19 -1.47 -0.08 0.00 -1.84 0.00 0.00 35.03 31.83 1s72 n LYS 182 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1s72 n THR 183 N 1.19 1.18 -3.07 -0.18 -2.24 -1.14 -4.38 114.28 105.64 1s72 n THR 183 Ca 0.16 -0.31 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 1s72 n THR 183 Cb 0.56 -1.76 -0.06 0.00 -2.10 0.00 0.00 70.33 66.97 1s72 n THR 183 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1s72 s ARG 184 N -2.39 4.39 0.44 -0.78 3.52 -1.14 -1.27 118.95 121.71 1s72 s ARG 184 Ca -0.30 0.98 0.24 0.00 -0.13 0.00 0.00 55.73 56.52 1s72 s ARG 184 Cb 0.11 -3.09 0.44 0.00 -1.56 0.00 0.00 34.95 30.85 1s72 s ARG 184 CO 0.38 0.50 1.64 -1.00 -0.81 0.00 0.00 175.30 176.02 1s72 h PRO 185 N 3.94 0.00 -2.98 5.12 0.13 -1.91 -3.47 132.00 132.84 1s72 h PRO 185 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1s72 h PRO 185 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1s72 h PRO 185 CO 0.65 0.00 0.07 -1.54 -0.23 0.00 0.00 178.00 176.95 1s72 s SER 186 N -6.10 -0.44 0.15 1.44 1.04 -0.40 -5.04 113.70 104.35 1s72 s SER 186 Ca 0.07 0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.41 1s72 s SER 186 Cb 0.06 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1s72 s SER 186 CO 0.66 -0.83 1.50 -0.07 0.98 0.00 0.00 173.24 175.48 1s72 h LEU 187 N 2.43 0.99 -0.41 2.42 3.38 -1.78 -3.11 115.31 119.23 1s72 h LEU 187 Ca -0.33 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.14 1s72 h LEU 187 Cb 1.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1s72 h LEU 187 CO 0.42 1.23 -0.02 -0.09 0.09 0.00 0.00 178.44 180.07 1s72 h ARG 188 N 0.77 0.74 0.00 1.13 2.43 -1.91 0.13 114.38 117.68 1s72 h ARG 188 Ca 0.07 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1s72 h ARG 188 Cb 0.94 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1s72 h ARG 188 CO 0.09 0.83 -0.02 0.66 -1.51 0.00 0.00 179.97 180.02 1s72 h SER 189 N 0.57 0.00 -0.44 -3.80 4.64 -1.96 -1.25 113.55 111.32 1s72 h SER 189 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1s72 h SER 189 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1s72 h SER 189 CO 0.03 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.59 1s72 n ASN 190 N -3.14 2.64 0.00 4.97 3.02 -1.00 -4.91 115.26 116.84 1s72 n ASN 190 Ca -0.00 -2.09 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 1s72 n ASN 190 Cb 0.25 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1s72 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s72 n GLY 191 N 1.09 0.53 1.92 7.41 0.00 -0.47 -3.98 105.19 111.68 1s72 n GLY 191 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 1s72 n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 192 N -2.94 0.33 0.66 -0.02 0.00 0.00 -5.00 105.19 98.22 1s72 n GLY 192 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.74 1s72 n GLY 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s72 n LYS 193 N -1.92 2.88 0.00 1.61 5.02 -1.26 -5.07 118.16 119.42 1s72 n LYS 193 Ca -0.05 -2.19 0.00 0.00 -2.02 0.00 0.00 58.31 54.05 1s72 n LYS 193 Cb 0.54 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1s72 n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88