#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rby s ARG 2 N 0.00 4.19 -0.07 0.00 0.52 -1.26 -1.89 118.95 120.43 1rby s ARG 2 Ca 0.00 0.54 0.02 0.00 -0.52 0.00 0.00 55.73 55.77 1rby s ARG 2 Cb 0.00 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.86 1rby s ARG 2 CO 0.00 -0.23 -0.11 0.08 0.02 0.00 0.00 175.30 175.06 1rby s VAL 3 N 1.89 3.30 -0.11 3.52 1.01 -0.08 0.07 120.40 130.00 1rby s VAL 3 Ca 0.27 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1rby s VAL 3 Cb -0.16 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1rby s VAL 3 CO 0.10 0.58 -0.01 0.00 0.00 0.00 0.00 175.10 175.77 1rby s ALA 4 N -0.55 3.20 -0.20 5.51 0.00 -0.09 -0.98 121.76 128.65 1rby s ALA 4 Ca 0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 1rby s ALA 4 Cb -0.12 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 1rby s ALA 4 CO 0.02 0.44 0.00 0.08 0.00 0.00 0.00 175.76 176.30 1rby s VAL 5 N -0.40 3.95 -0.17 0.00 1.01 -0.67 -0.75 120.40 123.38 1rby s VAL 5 Ca 0.07 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1rby s VAL 5 Cb -0.12 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1rby s VAL 5 CO 0.02 0.43 0.11 -0.76 0.00 0.00 0.00 175.10 174.90 1rby s LEU 6 N 1.02 4.13 0.16 3.92 1.43 0.15 -0.97 118.68 128.52 1rby s LEU 6 Ca 0.02 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1rby s LEU 6 Cb -0.14 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 1rby s LEU 6 CO 0.02 0.25 -0.01 0.27 0.23 0.00 0.00 176.35 177.10 1rby s ILE 7 N -0.08 0.70 0.00 -0.59 -4.36 -0.08 -1.11 121.20 115.68 1rby s ILE 7 Ca 0.09 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1rby s ILE 7 Cb -0.12 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.55 1rby s ILE 7 CO 0.00 -0.55 0.06 -1.20 0.24 0.00 0.00 174.94 173.50 1rby n SER 8 N -0.21 0.13 0.00 4.36 7.64 -1.04 -2.99 113.62 121.50 1rby n SER 8 Ca -0.08 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1rby n SER 8 Cb 0.63 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.15 1rby n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rby n GLY 9 N 0.32 3.12 0.22 0.23 0.00 -1.26 -4.70 105.19 103.13 1rby n GLY 9 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1rby n GLY 9 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rby h THR 10 N 0.00 0.86 -3.68 2.61 2.02 -1.92 -1.79 112.91 111.01 1rby h THR 10 Ca 0.00 -1.04 -0.32 0.00 0.77 0.00 0.00 66.41 65.82 1rby h THR 10 Cb 0.00 1.62 0.05 0.00 -1.74 0.00 0.00 68.15 68.08 1rby h THR 10 CO 0.00 0.26 -0.49 0.61 0.37 0.00 0.00 175.52 176.27 1rby n GLY 11 N -0.34 -0.27 0.37 2.16 0.00 -1.26 -2.57 105.19 103.28 1rby n GLY 11 Ca -0.01 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1rby n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rby h SER 12 N -1.14 0.73 0.17 1.61 4.64 -1.91 -0.75 113.55 116.92 1rby h SER 12 Ca -0.42 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1rby h SER 12 Cb 1.29 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1rby h SER 12 CO 0.45 0.29 -0.20 0.59 -0.87 0.00 0.00 176.83 177.09 1rby n ASN 13 N -4.69 1.17 0.00 4.97 3.02 -1.26 -4.42 115.26 114.05 1rby n ASN 13 Ca 0.22 -1.05 -0.13 0.00 -0.03 0.00 0.00 54.58 53.60 1rby n ASN 13 Cb 0.57 0.11 -0.09 0.00 -0.61 0.00 0.00 39.78 39.76 1rby n ASN 13 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1rby h LEU 14 N 1.52 0.02 -0.79 3.41 6.46 -1.49 -1.70 115.31 122.73 1rby h LEU 14 Ca 0.00 -0.32 0.04 0.00 -0.12 0.00 0.00 57.88 57.49 1rby h LEU 14 Cb 0.52 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.39 1rby h LEU 14 CO 0.00 0.33 0.50 -0.61 -0.62 0.00 0.00 178.44 178.04 1rby h GLN 15 N -0.29 0.92 -0.39 1.25 5.75 -1.77 0.12 115.11 120.70 1rby h GLN 15 Ca 0.00 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1rby h GLN 15 Cb 0.32 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 1rby h GLN 15 CO 0.00 0.61 0.23 0.00 -2.65 0.00 0.00 178.83 177.02 1rby h ALA 16 N 1.35 0.49 -0.24 3.38 0.00 -1.79 0.85 119.26 123.31 1rby h ALA 16 Ca 0.33 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1rby h ALA 16 Cb 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1rby h ALA 16 CO -0.13 -0.01 -0.03 -0.07 0.00 0.00 0.00 179.25 179.00 1rby h LEU 17 N 0.50 -0.17 -0.03 0.00 3.38 -0.69 -2.42 115.31 115.89 1rby h LEU 17 Ca 0.14 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1rby h LEU 17 Cb 0.01 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1rby h LEU 17 CO -0.03 -0.05 -0.22 0.40 0.09 0.00 0.00 178.44 178.63 1rby h ILE 18 N 0.03 0.48 -0.53 1.22 2.04 -0.27 -2.32 117.51 118.16 1rby h ILE 18 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.02 1rby h ILE 18 Cb 0.16 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1rby h ILE 18 CO -0.22 0.00 0.27 0.44 0.00 0.00 0.00 178.15 178.64 1rby h ASP 19 N -0.33 0.39 -0.25 1.72 3.32 -0.78 -2.31 116.42 118.17 1rby h ASP 19 Ca 0.07 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1rby h ASP 19 Cb 0.43 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1rby h ASP 19 CO -0.22 0.26 0.14 -1.28 -1.72 0.00 0.00 179.24 176.42 1rby h SER 20 N 0.52 0.22 0.51 6.45 0.87 -1.29 -1.89 113.55 118.94 1rby h SER 20 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1rby h SER 20 Cb 0.15 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1rby h SER 20 CO -0.17 0.16 0.00 0.71 -0.53 0.00 0.00 176.83 177.01 1rby h THR 21 N 0.29 0.00 -0.01 2.23 1.35 -0.98 -2.51 112.91 113.28 1rby h THR 21 Ca 0.10 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1rby h THR 21 Cb 0.01 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1rby h THR 21 CO -0.05 0.00 -0.28 0.54 -0.25 0.00 0.00 175.52 175.47 1rby n ARG 22 N -2.64 1.24 -2.40 4.72 1.74 -0.74 -4.74 116.66 113.84 1rby n ARG 22 Ca -0.00 -0.89 -0.35 0.00 -0.77 0.00 0.00 57.85 55.83 1rby n ARG 22 Cb 0.18 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 1rby n ARG 22 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1rby s GLU 23 N -2.38 3.67 0.60 5.56 0.41 -0.95 -5.01 118.70 120.60 1rby s GLU 23 Ca 0.24 1.52 -0.18 0.00 -0.41 0.00 0.00 54.97 56.14 1rby s GLU 23 Cb 0.19 -2.15 -0.03 0.00 -1.78 0.00 0.00 34.13 30.37 1rby s GLU 23 CO 0.49 -0.57 1.21 -1.25 -0.49 0.00 0.00 175.26 174.65 1rby s PRO 24 N -3.11 2.91 0.00 0.39 0.04 -1.26 -2.57 135.00 131.40 1rby s PRO 24 Ca 0.68 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1rby s PRO 24 Cb -0.21 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1rby s PRO 24 CO 0.25 -1.25 0.00 0.09 0.04 0.00 0.00 177.00 176.13 1rby n ASN 25 N -1.69 -1.39 -4.77 6.66 3.02 -1.26 -5.02 115.26 110.80 1rby n ASN 25 Ca 0.14 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.30 1rby n ASN 25 Cb 0.50 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 39.29 1rby n ASN 25 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rby s SER 26 N -2.53 6.41 0.00 6.41 0.15 -1.06 -4.93 113.70 118.14 1rby s SER 26 Ca 0.00 2.42 0.24 0.00 0.70 0.00 0.00 55.95 59.31 1rby s SER 26 Cb 0.00 -2.62 0.39 0.00 -1.71 0.00 0.00 66.02 62.08 1rby s SER 26 CO 0.00 -0.76 1.38 -1.20 1.20 0.00 0.00 173.24 173.85 1rby n SER 27 N 0.00 3.14 -4.05 5.45 7.64 -1.26 -4.98 113.62 119.56 1rby n SER 27 Ca 0.05 -1.96 -0.09 0.00 1.01 0.00 0.00 58.87 57.88 1rby n SER 27 Cb 0.46 -0.15 -0.11 0.00 -1.01 0.00 0.00 64.21 63.41 1rby n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rby s ALA 28 N -1.71 0.39 -0.00 -0.43 0.00 -1.26 -0.48 121.76 118.27 1rby s ALA 28 Ca 0.35 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1rby s ALA 28 Cb 0.22 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 1rby s ALA 28 CO 0.31 -0.24 -0.06 1.14 0.00 0.00 0.00 175.76 176.91 1rby s GLN 29 N -2.68 0.45 -0.24 0.00 -2.07 -0.79 -4.61 119.66 109.72 1rby s GLN 29 Ca -0.04 -0.24 -0.20 0.00 -1.82 0.00 0.00 55.36 53.06 1rby s GLN 29 Cb -0.01 -0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 31.47 1rby s GLN 29 CO -0.05 0.11 0.59 0.42 -1.32 0.00 0.00 175.29 175.04 1rby s ILE 30 N -0.23 5.03 -0.12 3.63 1.01 -1.26 -0.90 121.20 128.35 1rby s ILE 30 Ca 0.01 1.06 0.12 0.00 0.00 0.00 0.00 60.65 61.84 1rby s ILE 30 Cb -0.03 -3.90 -0.17 0.00 0.01 0.00 0.00 42.46 38.37 1rby s ILE 30 CO -0.00 0.08 0.31 0.47 0.00 0.00 0.00 174.94 175.80 1rby n ASP 31 N 5.39 1.92 -3.61 3.58 8.00 -0.15 -4.93 116.55 126.75 1rby n ASP 31 Ca -0.02 -0.16 -0.15 0.00 0.71 0.00 0.00 54.79 55.17 1rby n ASP 31 Cb 0.49 1.43 -0.07 0.00 -0.02 0.00 0.00 41.12 42.96 1rby n ASP 31 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1rby s ILE 32 N -2.68 0.00 -0.14 0.53 1.10 -1.23 -4.16 121.20 114.64 1rby s ILE 32 Ca -0.03 -0.03 0.02 0.00 -0.51 0.00 0.00 60.65 60.10 1rby s ILE 32 Cb 0.08 -0.92 0.00 0.00 0.15 0.00 0.00 42.46 41.77 1rby s ILE 32 CO 0.49 -0.02 -0.20 -0.69 -2.11 0.00 0.00 174.94 172.41 1rby s VAL 33 N -0.27 2.27 -0.13 4.00 1.01 -0.46 -1.67 120.40 125.15 1rby s VAL 33 Ca -0.05 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1rby s VAL 33 Cb -0.03 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1rby s VAL 33 CO 0.04 0.54 -0.18 -0.63 0.00 0.00 0.00 175.10 174.87 1rby s ILE 34 N 0.72 2.57 0.02 2.22 1.01 -0.15 -1.98 121.20 125.61 1rby s ILE 34 Ca -0.09 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.80 1rby s ILE 34 Cb -0.16 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1rby s ILE 34 CO 0.01 0.54 -0.16 -0.55 0.00 0.00 0.00 174.94 174.78 1rby s SER 35 N 0.49 3.97 0.00 3.58 0.15 -0.85 -0.90 113.70 120.15 1rby s SER 35 Ca -0.12 -0.35 0.28 0.00 0.70 0.00 0.00 55.95 56.47 1rby s SER 35 Cb -0.16 -0.72 1.16 0.00 -1.71 0.00 0.00 66.02 64.58 1rby s SER 35 CO 0.05 0.27 1.81 -0.46 1.20 0.00 0.00 173.24 176.11 1rby n ASN 36 N 1.65 1.11 -4.01 5.45 0.23 -1.16 -1.19 115.26 117.33 1rby n ASN 36 Ca -0.16 -1.25 -0.24 0.00 -0.53 0.00 0.00 54.58 52.40 1rby n ASN 36 Cb 0.52 0.01 -0.16 0.00 -2.08 0.00 0.00 39.78 38.07 1rby n ASN 36 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1rby s LYS 37 N -2.11 1.53 0.54 -3.83 1.02 -1.26 -3.84 119.74 111.79 1rby s LYS 37 Ca 0.37 -0.37 -0.18 0.00 0.02 0.00 0.00 55.97 55.80 1rby s LYS 37 Cb 0.21 -1.30 -0.06 0.00 -0.52 0.00 0.00 37.83 36.16 1rby s LYS 37 CO 0.38 0.03 1.07 0.00 -0.92 0.00 0.00 175.35 175.90 1rby s ALA 38 N 0.64 2.76 -1.91 5.17 0.00 -1.26 -4.12 121.76 123.04 1rby s ALA 38 Ca -0.13 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1rby s ALA 38 Cb -0.15 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1rby s ALA 38 CO 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 175.76 175.15 1rby n ALA 39 N -1.48 -0.31 -1.97 0.00 0.00 -1.26 -4.98 120.51 110.50 1rby n ALA 39 Ca 0.10 0.28 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 1rby n ALA 39 Cb 0.52 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 1rby n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rby s VAL 40 N -2.71 4.63 0.48 0.00 -7.23 -1.26 -4.98 120.40 109.33 1rby s VAL 40 Ca 0.00 0.98 0.15 0.00 -1.81 0.00 0.00 61.98 61.30 1rby s VAL 40 Cb 0.00 -3.73 0.23 0.00 0.56 0.00 0.00 36.38 33.44 1rby s VAL 40 CO 0.00 -0.65 2.07 0.00 -0.31 0.00 0.00 175.10 176.21 1rby h ALA 41 N 0.98 1.85 0.00 1.32 0.00 -1.84 -1.98 119.26 119.60 1rby h ALA 41 Ca -0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1rby h ALA 41 Cb 1.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1rby h ALA 41 CO 0.62 0.11 -0.07 0.78 0.00 0.00 0.00 179.25 180.70 1rby h GLY 42 N 0.27 0.00 1.09 0.00 0.00 -1.04 -1.90 103.07 101.49 1rby h GLY 42 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1rby h GLY 42 CO 0.01 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 177.88 1rby h LEU 43 N 0.00 1.03 -1.15 3.11 3.38 -1.60 -2.26 115.31 117.82 1rby h LEU 43 Ca -0.00 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 1rby h LEU 43 Cb 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1rby h LEU 43 CO 0.01 1.13 -0.19 0.44 0.09 0.00 0.00 178.44 179.92 1rby h ASP 44 N 0.91 0.35 -0.38 -0.43 3.32 -1.44 0.31 116.42 119.07 1rby h ASP 44 Ca 0.15 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1rby h ASP 44 Cb 0.65 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1rby h ASP 44 CO 0.05 0.56 -0.15 0.11 -1.72 0.00 0.00 179.24 178.09 1rby h LYS 45 N 0.33 0.77 -0.33 3.56 1.57 -1.23 -0.60 116.57 120.64 1rby h LYS 45 Ca 0.06 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 1rby h LYS 45 Cb 0.53 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1rby h LYS 45 CO 0.04 0.94 -0.10 0.00 -0.57 0.00 0.00 179.45 179.75 1rby h ALA 46 N 0.81 0.45 -0.56 3.86 0.00 -1.10 -1.94 119.26 120.79 1rby h ALA 46 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rby h ALA 46 Cb 0.69 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1rby h ALA 46 CO 0.05 0.31 0.35 0.93 0.00 0.00 0.00 179.25 180.89 1rby h GLU 47 N 0.42 0.76 -0.70 0.00 5.08 -0.89 -0.92 114.58 118.33 1rby h GLU 47 Ca 0.08 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1rby h GLU 47 Cb 0.61 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1rby h GLU 47 CO 0.04 0.53 0.46 0.00 -1.00 0.00 0.00 179.01 179.04 1rby h ARG 48 N 0.76 0.74 -0.00 2.33 3.08 -0.96 -0.99 114.38 119.33 1rby h ARG 48 Ca 0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1rby h ARG 48 Cb -0.04 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1rby h ARG 48 CO -0.04 0.49 -0.01 0.00 -1.07 0.00 0.00 179.97 179.34 1rby n ALA 49 N -2.45 2.66 -3.32 0.04 0.00 -0.74 -4.92 120.51 111.78 1rby n ALA 49 Ca 0.10 -0.24 -0.19 0.00 0.00 0.00 0.00 53.44 53.10 1rby n ALA 49 Cb 0.19 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.26 1rby n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rby n GLY 50 N 1.07 -0.25 3.52 0.00 0.00 -0.38 -5.02 105.19 104.13 1rby n GLY 50 Ca 0.22 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 1rby n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rby s ILE 51 N -3.23 4.02 0.51 -0.61 1.01 -0.41 -5.03 121.20 117.46 1rby s ILE 51 Ca 0.45 -0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 1rby s ILE 51 Cb -0.20 -2.77 -0.08 0.00 0.01 0.00 0.00 42.46 39.42 1rby s ILE 51 CO 0.55 0.49 0.95 -2.65 0.00 0.00 0.00 174.94 174.28 1rby n PRO 52 N 3.55 1.10 -4.21 2.79 -0.02 -1.26 -4.18 135.00 132.77 1rby n PRO 52 Ca -0.17 0.41 -0.18 0.00 -2.02 0.00 0.00 63.50 61.54 1rby n PRO 52 Cb 0.52 -2.07 -0.12 0.00 -0.02 0.00 0.00 33.50 31.81 1rby n PRO 52 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rby s THR 53 N -1.42 0.96 0.09 3.45 -4.23 -1.26 -1.36 115.64 111.87 1rby s THR 53 Ca 0.69 -1.10 0.06 0.00 -1.18 0.00 0.00 61.69 60.16 1rby s THR 53 Cb -0.48 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 1rby s THR 53 CO 0.53 -0.16 -0.16 -0.13 -0.54 0.00 0.00 174.62 174.16 1rby s ARG 54 N -1.42 0.92 -0.19 3.99 1.81 -0.84 -4.97 118.95 118.25 1rby s ARG 54 Ca -0.02 -1.05 -0.01 0.00 -1.72 0.00 0.00 55.73 52.92 1rby s ARG 54 Cb -0.09 -0.96 0.00 0.00 -0.45 0.00 0.00 34.95 33.45 1rby s ARG 54 CO 0.01 0.21 -0.12 0.08 -0.68 0.00 0.00 175.30 174.81 1rby s VAL 55 N -1.41 2.78 -0.32 3.52 1.01 -1.26 -2.00 120.40 122.72 1rby s VAL 55 Ca 0.02 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1rby s VAL 55 Cb -0.09 -2.22 0.09 0.00 0.00 0.00 0.00 36.38 34.16 1rby s VAL 55 CO 0.03 0.48 0.01 -0.63 0.00 0.00 0.00 175.10 174.99 1rby s ILE 56 N 1.28 2.24 -0.37 2.22 1.01 -0.34 -4.99 121.20 122.25 1rby s ILE 56 Ca 0.03 -2.17 -0.29 0.00 0.00 0.00 0.00 60.65 58.23 1rby s ILE 56 Cb -0.14 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.75 1rby s ILE 56 CO -0.06 -0.46 1.52 0.21 0.00 0.00 0.00 174.94 176.14 1rby s ASN 57 N 0.96 6.25 0.47 3.58 2.47 -1.26 -4.06 114.94 123.34 1rby s ASN 57 Ca 0.06 1.03 0.15 0.00 0.42 0.00 0.00 52.86 54.52 1rby s ASN 57 Cb -0.19 -2.54 1.08 0.00 -1.45 0.00 0.00 41.25 38.15 1rby s ASN 57 CO -0.07 -1.47 2.04 1.12 -3.72 0.00 0.00 177.10 175.00 1rby h HIS 58 N 11.15 0.02 0.00 0.43 2.07 -1.95 -2.55 115.15 124.33 1rby h HIS 58 Ca -0.29 -0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.22 1rby h HIS 58 Cb 1.12 -0.01 -0.00 0.00 2.57 0.00 0.00 27.41 31.10 1rby h HIS 58 CO 0.96 0.13 -0.04 0.87 -3.07 0.00 0.00 177.93 176.78 1rby h LYS 59 N 0.02 0.00 0.00 5.12 1.57 -1.91 -2.72 116.57 118.65 1rby h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rby h LYS 59 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1rby h LYS 59 CO 0.01 0.04 0.00 -0.07 -0.57 0.00 0.00 179.45 178.86 1rby h LEU 60 N 0.00 0.00 -9.65 2.94 3.38 -1.87 -3.46 115.31 106.65 1rby h LEU 60 Ca -0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.30 1rby h LEU 60 Cb 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 1rby h LEU 60 CO 0.01 0.00 -0.49 -0.31 0.09 0.00 0.00 178.44 177.73 1rby s TYR 61 N -3.13 3.57 0.29 1.13 1.51 -1.03 -5.01 117.35 114.67 1rby s TYR 61 Ca 0.10 0.48 -0.02 0.00 -1.01 0.00 0.00 57.07 56.62 1rby s TYR 61 Cb 0.10 -1.91 0.43 0.00 -0.11 0.00 0.00 41.96 40.48 1rby s TYR 61 CO 0.61 0.71 1.93 -0.22 -1.11 0.00 0.00 175.55 177.47 1rby h LYS 62 N 4.76 1.11 -4.08 -0.62 3.11 -1.89 -3.46 116.57 115.51 1rby h LYS 62 Ca -0.54 -0.07 -0.27 0.00 -2.81 0.00 0.00 60.65 56.97 1rby h LYS 62 Cb 1.22 -0.25 -0.08 0.00 -1.00 0.00 0.00 32.23 32.12 1rby h LYS 62 CO 0.60 0.74 -0.17 0.54 -2.81 0.00 0.00 179.45 178.34 1rby s ASN 63 N -6.12 0.91 0.21 4.20 2.20 -1.26 -5.07 114.94 110.00 1rby s ASN 63 Ca -0.12 -1.48 -0.08 0.00 -0.94 0.00 0.00 52.86 50.24 1rby s ASN 63 Cb 0.19 0.67 0.14 0.00 -2.00 0.00 0.00 41.25 40.25 1rby s ASN 63 CO 0.80 -1.32 1.75 0.03 -2.94 0.00 0.00 177.10 175.42 1rby h ARG 64 N 2.10 1.17 -0.62 3.55 3.08 -1.96 -2.78 114.38 118.93 1rby h ARG 64 Ca -0.28 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.55 1rby h ARG 64 Cb 1.24 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.08 1rby h ARG 64 CO 0.39 0.99 0.38 0.28 -1.07 0.00 0.00 179.97 180.93 1rby h VAL 65 N 1.12 1.07 -0.46 2.04 2.07 -1.97 0.35 116.25 120.47 1rby h VAL 65 Ca 0.24 -0.25 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 1rby h VAL 65 Cb 0.30 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1rby h VAL 65 CO -0.01 0.13 -0.26 -0.33 0.02 0.00 0.00 177.57 177.13 1rby h GLU 66 N 0.74 0.99 0.28 1.57 5.08 -1.96 -0.77 114.58 120.51 1rby h GLU 66 Ca 0.25 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1rby h GLU 66 Cb 0.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1rby h GLU 66 CO -0.11 1.12 -0.13 0.35 -1.00 0.00 0.00 179.01 179.24 1rby h PHE 67 N 0.84 -0.35 -0.81 4.33 3.57 -1.18 -2.45 116.94 120.90 1rby h PHE 67 Ca 0.10 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1rby h PHE 67 Cb 0.84 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 1rby h PHE 67 CO 0.06 -0.17 0.53 -0.44 -2.23 0.00 0.00 178.31 176.05 1rby h ASP 68 N -0.43 0.77 -0.73 0.41 5.19 -0.28 -2.00 116.42 119.35 1rby h ASP 68 Ca -0.04 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1rby h ASP 68 Cb 0.33 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.65 1rby h ASP 68 CO 0.06 0.49 0.42 0.28 -3.12 0.00 0.00 179.24 177.37 1rby h SER 69 N 0.87 0.89 0.10 6.45 0.02 -1.01 0.11 113.55 120.97 1rby h SER 69 Ca 0.35 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1rby h SER 69 Cb 0.25 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1rby h SER 69 CO -0.13 0.71 -0.23 0.00 -1.14 0.00 0.00 176.83 176.04 1rby h ALA 70 N 1.22 1.35 -0.11 3.77 0.00 -0.90 0.90 119.26 125.49 1rby h ALA 70 Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1rby h ALA 70 Cb -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1rby h ALA 70 CO -0.05 0.44 -0.00 0.82 0.00 0.00 0.00 179.25 180.47 1rby h ILE 71 N 0.22 1.26 -0.80 0.00 2.04 -0.74 -3.12 117.51 116.37 1rby h ILE 71 Ca 0.04 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1rby h ILE 71 Cb 0.54 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 1rby h ILE 71 CO 0.04 0.24 0.51 -0.78 0.00 0.00 0.00 178.15 178.16 1rby h ASP 72 N -0.07 0.93 -0.32 1.72 3.58 -0.28 -0.52 116.42 121.46 1rby h ASP 72 Ca 0.03 -0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.49 1rby h ASP 72 Cb 0.37 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 1rby h ASP 72 CO 0.01 0.69 0.08 -0.07 -2.88 0.00 0.00 179.24 177.06 1rby h LEU 73 N 1.09 0.05 -0.39 2.28 3.38 -0.86 0.85 115.31 121.70 1rby h LEU 73 Ca 0.29 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 1rby h LEU 73 Cb -0.10 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1rby h LEU 73 CO -0.06 0.06 0.04 0.58 0.09 0.00 0.00 178.44 179.15 1rby h VAL 74 N 0.20 1.25 -0.74 1.22 2.07 -1.37 -0.01 116.25 118.87 1rby h VAL 74 Ca 0.15 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.81 1rby h VAL 74 Cb 0.15 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1rby h VAL 74 CO -0.18 0.31 0.43 -0.07 0.02 0.00 0.00 177.57 178.08 1rby h LEU 75 N 0.50 0.64 -0.52 2.57 4.07 -0.71 0.21 115.31 122.07 1rby h LEU 75 Ca 0.12 0.03 -0.14 0.00 0.08 0.00 0.00 57.88 57.96 1rby h LEU 75 Cb 0.41 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1rby h LEU 75 CO 0.01 0.40 -0.35 -0.33 -1.08 0.00 0.00 178.44 177.09 1rby h GLU 76 N 0.77 0.82 -0.88 1.13 4.39 -0.74 -1.37 114.58 118.70 1rby h GLU 76 Ca 0.34 -0.41 0.13 0.00 0.34 0.00 0.00 59.36 59.75 1rby h GLU 76 Cb 0.22 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.78 1rby h GLU 76 CO -0.19 1.04 0.50 1.49 -1.16 0.00 0.00 179.01 180.69 1rby h GLU 77 N 0.68 0.74 -0.42 2.33 4.81 0.17 -1.89 114.58 121.00 1rby h GLU 77 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1rby h GLU 77 Cb 0.91 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1rby h GLU 77 CO 0.08 0.49 0.00 1.19 -0.73 0.00 0.00 179.01 180.04 1rby n PHE 78 N -4.77 0.56 -3.95 0.92 3.01 -0.05 -4.95 117.46 108.22 1rby n PHE 78 Ca 0.17 -0.28 -0.30 0.00 1.01 0.00 0.00 57.45 58.04 1rby n PHE 78 Cb 0.37 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.86 1rby n PHE 78 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1rby n SER 79 N 0.81 -4.01 -4.74 4.37 2.88 -0.71 -4.90 113.62 107.32 1rby n SER 79 Ca 0.16 -0.84 -0.41 0.00 -1.33 0.00 0.00 58.87 56.45 1rby n SER 79 Cb 0.39 -3.66 -0.03 0.00 -0.75 0.00 0.00 64.21 60.16 1rby n SER 79 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1rby s ILE 80 N -3.36 3.45 -0.24 2.46 -1.09 -0.56 -4.75 121.20 117.10 1rby s ILE 80 Ca 0.59 1.25 0.03 0.00 -2.23 0.00 0.00 60.65 60.29 1rby s ILE 80 Cb -0.30 -3.80 -0.19 0.00 -1.58 0.00 0.00 42.46 36.60 1rby s ILE 80 CO 0.85 0.21 -0.14 0.47 -1.23 0.00 0.00 174.94 175.10 1rby n ASP 81 N 2.31 1.75 -3.96 3.58 8.00 0.11 -4.92 116.55 123.42 1rby n ASP 81 Ca 0.04 -0.09 -0.18 0.00 0.71 0.00 0.00 54.79 55.26 1rby n ASP 81 Cb 0.44 -0.28 -0.15 0.00 -0.02 0.00 0.00 41.12 41.11 1rby n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rby s ILE 82 N -2.52 0.55 -0.14 0.53 1.01 -0.72 -4.85 121.20 115.06 1rby s ILE 82 Ca -0.31 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 1rby s ILE 82 Cb 0.08 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 1rby s ILE 82 CO 0.64 0.18 -0.01 -0.69 0.00 0.00 0.00 174.94 175.06 1rby s VAL 83 N 0.21 4.14 -0.16 2.92 1.01 0.21 -0.91 120.40 127.81 1rby s VAL 83 Ca -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1rby s VAL 83 Cb -0.07 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1rby s VAL 83 CO -0.00 0.51 -0.11 0.00 0.00 0.00 0.00 175.10 175.50 1rby s LEU 85 N 0.70 4.31 -0.61 0.00 1.43 0.64 -0.67 118.68 124.47 1rby s LEU 85 Ca -0.06 -0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1rby s LEU 85 Cb -0.15 -2.49 0.15 0.00 0.03 0.00 0.00 46.19 43.72 1rby s LEU 85 CO 0.02 -0.38 0.38 0.00 0.23 0.00 0.00 176.35 176.60 1rby s ALA 86 N 2.23 3.48 -0.90 4.21 0.00 -0.27 -3.06 121.76 127.44 1rby s ALA 86 Ca 0.16 -3.52 0.00 0.00 0.00 0.00 0.00 51.96 48.60 1rby s ALA 86 Cb -0.16 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.82 1rby s ALA 86 CO 0.12 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.23 1rby n GLY 87 N 2.52 0.78 3.72 0.00 0.00 -1.26 -4.43 105.19 106.53 1rby n GLY 87 Ca 0.13 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1rby n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rby s PHE 88 N -2.36 3.31 -0.93 1.61 5.36 -1.25 -2.51 117.98 121.22 1rby s PHE 88 Ca 0.00 1.12 0.10 0.00 -0.96 0.00 0.00 56.93 57.19 1rby s PHE 88 Cb 0.00 -3.58 0.23 0.00 -0.34 0.00 0.00 43.02 39.33 1rby s PHE 88 CO 0.00 -1.92 1.13 -1.33 -1.46 0.00 0.00 175.22 171.64 1rby n MET 89 N 3.66 2.29 -3.60 10.12 2.81 -1.26 -4.91 117.12 126.23 1rby n MET 89 Ca 0.10 -1.78 -0.37 0.00 -1.81 0.00 0.00 57.70 53.84 1rby n MET 89 Cb 0.44 -1.23 -0.09 0.00 -0.71 0.00 0.00 33.22 31.63 1rby n MET 89 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1rby s ARG 90 N -0.96 4.08 0.14 0.03 1.81 -1.26 -5.07 118.95 117.73 1rby s ARG 90 Ca 0.18 -0.17 -0.31 0.00 -1.72 0.00 0.00 55.73 53.72 1rby s ARG 90 Cb 0.10 -3.55 -0.09 0.00 -0.45 0.00 0.00 34.95 30.97 1rby s ARG 90 CO 0.14 0.02 1.43 0.42 -0.68 0.00 0.00 175.30 176.63 1rby s ILE 91 N 1.16 3.10 0.15 1.52 1.01 -1.26 -5.01 121.20 121.88 1rby s ILE 91 Ca 0.10 0.80 -0.06 0.00 0.00 0.00 0.00 60.65 61.49 1rby s ILE 91 Cb -0.14 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 1rby s ILE 91 CO 0.06 0.07 0.41 -0.76 0.00 0.00 0.00 174.94 174.72 1rby s LEU 92 N 0.94 4.25 0.58 2.97 1.43 -1.26 -5.03 118.68 122.57 1rby s LEU 92 Ca 0.65 0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 54.24 1rby s LEU 92 Cb -0.39 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1rby s LEU 92 CO 0.32 0.04 1.15 -0.94 0.23 0.00 0.00 176.35 177.14 1rby s SER 93 N -2.35 5.44 0.07 2.29 1.04 -1.26 -4.84 113.70 114.10 1rby s SER 93 Ca 0.41 2.20 -0.14 0.00 0.48 0.00 0.00 55.95 58.90 1rby s SER 93 Cb -0.12 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 1rby s SER 93 CO 0.23 -1.41 1.03 0.61 0.98 0.00 0.00 173.24 174.68 1rby n GLY 94 N 0.13 -2.19 0.32 7.32 0.00 -1.26 -1.65 105.19 107.87 1rby n GLY 94 Ca 0.12 0.74 -0.03 0.00 0.00 0.00 0.00 46.02 46.84 1rby n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rby h PRO 95 N 0.00 0.97 -0.28 1.61 0.11 -1.99 0.10 132.00 132.51 1rby h PRO 95 Ca 0.07 -0.17 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1rby h PRO 95 Cb 0.19 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1rby h PRO 95 CO -0.44 0.81 0.17 0.35 -0.21 0.00 0.00 178.00 178.68 1rby h PHE 96 N 0.94 0.38 -0.59 0.65 3.57 -1.87 -1.69 116.94 118.33 1rby h PHE 96 Ca 0.22 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1rby h PHE 96 Cb 0.22 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1rby h PHE 96 CO 0.02 0.28 0.36 0.28 -2.23 0.00 0.00 178.31 177.02 1rby h VAL 97 N 0.36 1.18 -0.56 1.41 2.07 -0.73 -2.17 116.25 117.80 1rby h VAL 97 Ca 0.10 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1rby h VAL 97 Cb 0.02 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1rby h VAL 97 CO -0.02 0.18 0.34 1.56 0.02 0.00 0.00 177.57 179.66 1rby h GLN 98 N 0.80 0.76 -0.58 1.57 4.20 -0.90 -1.92 115.11 119.05 1rby h GLN 98 Ca 0.21 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 1rby h GLN 98 Cb -0.02 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1rby h GLN 98 CO -0.04 0.55 0.07 -0.22 -0.67 0.00 0.00 178.83 178.52 1rby h LYS 99 N 0.76 0.95 -0.63 1.46 3.64 -0.97 -2.75 116.57 119.03 1rby h LYS 99 Ca 0.20 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1rby h LYS 99 Cb -0.02 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1rby h LYS 99 CO -0.04 0.89 0.00 0.91 -2.27 0.00 0.00 179.45 178.94 1rby n TRP 100 N -4.22 1.14 -1.68 1.91 7.02 -0.85 -4.96 117.44 115.81 1rby n TRP 100 Ca 0.04 -0.44 -0.46 0.00 -1.02 0.00 0.00 57.50 55.62 1rby n TRP 100 Cb 0.28 -0.23 -0.04 0.00 -2.42 0.00 0.00 31.31 28.91 1rby n TRP 100 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1rby n ASN 101 N 0.69 3.64 0.00 -0.99 5.15 -0.74 -0.55 115.26 122.47 1rby n ASN 101 Ca 0.19 0.98 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 1rby n ASN 101 Cb 0.72 -1.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.52 1rby n ASN 101 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rby n GLY 102 N 4.24 1.17 0.00 8.20 0.00 -1.26 -4.85 105.19 112.69 1rby n GLY 102 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1rby n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rby n LYS 103 N -2.00 -0.22 -4.46 1.61 4.76 0.29 -4.72 118.16 113.42 1rby n LYS 103 Ca 0.00 -0.46 -0.25 0.00 -2.87 0.00 0.00 58.31 54.73 1rby n LYS 103 Cb 0.00 -0.82 -0.17 0.00 -1.84 0.00 0.00 35.03 32.20 1rby n LYS 103 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1rby s MET 104 N -0.11 1.61 0.11 1.97 1.75 -0.92 -0.62 119.30 123.09 1rby s MET 104 Ca 0.00 -0.37 0.10 0.00 -1.25 0.00 0.00 55.69 54.18 1rby s MET 104 Cb 0.00 -1.39 -0.04 0.00 2.84 0.00 0.00 34.83 36.25 1rby s MET 104 CO 0.00 -0.02 -0.26 -0.51 -0.65 0.00 0.00 175.02 173.57 1rby s LEU 105 N 0.82 2.28 0.06 4.11 1.43 0.23 -1.15 118.68 126.46 1rby s LEU 105 Ca -0.12 -0.70 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 1rby s LEU 105 Cb -0.15 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 1rby s LEU 105 CO 0.02 0.19 -0.16 0.21 0.23 0.00 0.00 176.35 176.84 1rby s ASN 106 N -1.83 1.94 -0.20 2.29 2.47 0.13 -0.26 114.94 119.48 1rby s ASN 106 Ca 0.13 -0.54 -0.08 0.00 0.42 0.00 0.00 52.86 52.79 1rby s ASN 106 Cb -0.10 -0.11 -0.04 0.00 -1.45 0.00 0.00 41.25 39.55 1rby s ASN 106 CO 0.05 0.03 0.08 -0.51 -3.72 0.00 0.00 177.10 173.03 1rby s ILE 107 N -0.99 4.81 -0.06 -5.21 1.10 -1.17 -1.76 121.20 117.91 1rby s ILE 107 Ca 0.02 -0.02 0.03 0.00 -0.51 0.00 0.00 60.65 60.17 1rby s ILE 107 Cb -0.09 -3.19 0.01 0.00 0.15 0.00 0.00 42.46 39.34 1rby s ILE 107 CO 0.02 0.42 -0.15 -2.28 -2.11 0.00 0.00 174.94 170.84 1rby s HIS 108 N 0.68 1.61 -0.22 3.50 5.65 -0.35 -4.75 115.29 121.41 1rby s HIS 108 Ca 0.04 -0.56 -0.04 0.00 0.25 0.00 0.00 55.06 54.76 1rby s HIS 108 Cb -0.13 -1.13 -0.04 0.00 -1.18 0.00 0.00 32.58 30.09 1rby s HIS 108 CO 0.02 -0.25 2.89 -0.35 -0.65 0.00 0.00 174.74 176.40 1rby n PRO 109 N 3.55 2.02 -4.04 2.88 -0.04 -1.26 -1.09 135.00 137.02 1rby n PRO 109 Ca -0.21 -1.51 -0.11 0.00 -0.04 0.00 0.00 63.50 61.64 1rby n PRO 109 Cb 0.52 -1.90 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 1rby n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1rby s SER 110 N 1.09 0.14 -0.96 3.54 1.04 -0.59 -4.56 113.70 113.41 1rby s SER 110 Ca 0.52 -1.12 -0.20 0.00 0.48 0.00 0.00 55.95 55.63 1rby s SER 110 Cb 0.30 0.57 0.11 0.00 0.10 0.00 0.00 66.02 67.10 1rby s SER 110 CO -0.09 -1.13 1.22 -0.76 0.98 0.00 0.00 173.24 173.46 1rby s LEU 111 N -3.08 4.61 0.48 2.42 1.43 -1.25 -2.61 118.68 120.69 1rby s LEU 111 Ca 0.27 -1.88 -0.23 0.00 -1.03 0.00 0.00 54.13 51.26 1rby s LEU 111 Cb 0.01 -2.45 -0.08 0.00 0.03 0.00 0.00 46.19 43.69 1rby s LEU 111 CO 0.12 -1.19 1.06 0.18 0.23 0.00 0.00 176.35 176.75 1rby n LEU 112 N 7.21 3.35 -0.08 1.79 4.77 -1.26 -1.57 117.00 131.21 1rby n LEU 112 Ca 0.27 0.98 0.06 0.00 -0.03 0.00 0.00 56.01 57.29 1rby n LEU 112 Cb 0.50 -1.40 0.35 0.00 -2.33 0.00 0.00 43.42 40.53 1rby n LEU 112 CO 0.55 -1.38 0.73 -0.81 -1.33 0.00 0.00 177.39 175.15 1rby n PRO 113 N -0.26 1.10 -2.18 3.23 -0.04 -1.26 -5.09 135.00 130.49 1rby n PRO 113 Ca 0.10 -0.15 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 1rby n PRO 113 Cb 0.42 -1.21 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 1rby n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1rby s SER 114 N -1.38 6.18 -1.24 3.54 0.01 -0.61 -4.27 113.70 115.93 1rby s SER 114 Ca 0.20 2.43 -0.06 0.00 1.31 0.00 0.00 55.95 59.82 1rby s SER 114 Cb 0.09 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 1rby s SER 114 CO 0.15 -0.92 0.72 0.49 0.41 0.00 0.00 173.24 174.09 1rby n PHE 115 N -0.30 -1.94 -1.93 2.43 3.72 -1.26 -4.48 117.46 113.69 1rby n PHE 115 Ca 0.06 0.73 -0.38 0.00 -0.05 0.00 0.00 57.45 57.82 1rby n PHE 115 Cb 0.47 -4.05 0.03 0.00 -0.94 0.00 0.00 39.48 34.99 1rby n PHE 115 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1rby s LYS 116 N -5.86 3.21 0.00 -1.08 1.02 -1.26 -4.53 119.74 111.24 1rby s LYS 116 Ca 0.18 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.21 1rby s LYS 116 Cb -0.05 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1rby s LYS 116 CO 0.82 -1.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1rby n GLY 117 N 0.64 2.00 0.00 -3.33 0.00 -1.26 -4.82 105.19 98.42 1rby n GLY 117 Ca 0.11 -2.06 0.14 0.00 0.00 0.00 0.00 46.02 44.20 1rby n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rby n SER 118 N 0.00 0.00 -2.18 1.61 3.41 -1.26 -3.43 113.62 111.77 1rby n SER 118 Ca 0.00 -0.44 -0.28 0.00 -0.26 0.00 0.00 58.87 57.89 1rby n SER 118 Cb 0.00 -0.17 0.04 0.00 -0.26 0.00 0.00 64.21 63.82 1rby n SER 118 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rby n ASN 119 N -1.17 5.88 -0.29 4.04 6.94 -1.26 -4.89 115.26 124.51 1rby n ASN 119 Ca 0.17 -3.76 0.06 0.00 -0.02 0.00 0.00 54.58 51.02 1rby n ASN 119 Cb 0.17 -0.57 0.20 0.00 -2.36 0.00 0.00 39.78 37.22 1rby n ASN 119 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rby h ALA 120 N 2.18 1.24 -0.45 -2.53 0.00 -1.79 -2.40 119.26 115.52 1rby h ALA 120 Ca 0.45 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 1rby h ALA 120 Cb 1.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1rby h ALA 120 CO 1.05 -0.02 0.05 0.45 0.00 0.00 0.00 179.25 180.78 1rby h HIS 121 N 0.68 0.81 -0.55 0.00 3.86 -1.90 -0.90 115.15 117.15 1rby h HIS 121 Ca 0.44 -0.12 0.07 0.00 -1.16 0.00 0.00 60.37 59.59 1rby h HIS 121 Cb 0.55 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 28.74 1rby h HIS 121 CO -0.08 0.78 0.24 0.93 0.86 0.00 0.00 177.93 180.66 1rby h GLU 122 N 0.62 0.45 -0.41 2.45 3.07 -1.88 -1.43 114.58 117.45 1rby h GLU 122 Ca 0.13 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 1rby h GLU 122 Cb 0.42 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1rby h GLU 122 CO 0.01 0.30 0.10 1.96 -1.40 0.00 0.00 179.01 179.98 1rby h GLN 123 N 0.46 0.65 -0.38 2.33 4.20 -1.19 -1.89 115.11 119.29 1rby h GLN 123 Ca 0.26 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.85 1rby h GLN 123 Cb 0.24 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1rby h GLN 123 CO -0.22 0.67 0.15 0.00 -0.67 0.00 0.00 178.83 178.76 1rby h ALA 124 N 0.95 0.45 -0.37 3.87 0.00 -0.76 0.13 119.26 123.53 1rby h ALA 124 Ca 0.13 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1rby h ALA 124 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1rby h ALA 124 CO 0.00 -0.23 -0.32 -0.07 0.00 0.00 0.00 179.25 178.63 1rby h LEU 125 N 0.32 0.85 -0.72 0.00 3.38 -1.25 -1.31 115.31 116.60 1rby h LEU 125 Ca 0.17 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1rby h LEU 125 Cb 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1rby h LEU 125 CO -0.15 1.10 0.07 -0.08 0.09 0.00 0.00 178.44 179.47 1rby h GLU 126 N 0.69 1.06 0.00 1.13 4.81 -0.96 -3.05 114.58 118.26 1rby h GLU 126 Ca 0.07 -0.29 -0.11 0.00 -0.13 0.00 0.00 59.36 58.90 1rby h GLU 126 Cb 0.87 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1rby h GLU 126 CO 0.08 0.99 -0.51 1.15 -0.73 0.00 0.00 179.01 179.99 1rby h THR 127 N 0.99 1.34 0.00 0.32 2.02 -0.52 -3.48 112.91 113.58 1rby h THR 127 Ca 0.19 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1rby h THR 127 Cb 0.46 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1rby h THR 127 CO 0.02 0.50 0.00 0.61 0.37 0.00 0.00 175.52 177.01 1rby n GLY 128 N -0.04 0.57 3.75 2.16 0.00 -0.51 -5.05 105.19 106.07 1rby n GLY 128 Ca -0.01 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 1rby n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rby s VAL 129 N -2.00 2.27 -0.87 1.61 -7.23 -1.19 -4.94 120.40 108.05 1rby s VAL 129 Ca 0.00 0.19 0.20 0.00 -1.81 0.00 0.00 61.98 60.56 1rby s VAL 129 Cb 0.00 -3.09 -0.23 0.00 0.56 0.00 0.00 36.38 33.62 1rby s VAL 129 CO 0.00 -0.02 0.83 0.35 -0.31 0.00 0.00 175.10 175.95 1rby n THR 130 N -1.34 0.00 -4.13 5.32 -2.24 -1.26 -4.72 114.28 105.92 1rby n THR 130 Ca 0.12 -0.07 -0.26 0.00 -2.27 0.00 0.00 64.05 61.58 1rby n THR 130 Cb 0.47 0.90 -0.17 0.00 -2.10 0.00 0.00 70.33 69.43 1rby n THR 130 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1rby s VAL 131 N -2.98 1.03 0.00 2.28 1.01 -1.26 -0.32 120.40 120.16 1rby s VAL 131 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1rby s VAL 131 Cb 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1rby s VAL 131 CO 0.84 0.36 0.00 1.07 0.00 0.00 0.00 175.10 177.37 1rby n THR 132 N 4.55 0.00 -1.06 3.92 5.66 0.53 -4.91 114.28 122.98 1rby n THR 132 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1rby n THR 132 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1rby n THR 132 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rby n GLY 133 N 3.42 -0.57 3.12 1.09 0.00 -1.26 0.24 105.19 111.23 1rby n GLY 133 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 1rby n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rby s THR 135 N -3.94 0.08 -0.18 0.00 2.01 -0.25 -1.80 115.64 111.56 1rby s THR 135 Ca 0.10 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.12 1rby s THR 135 Cb 0.08 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 72.35 1rby s THR 135 CO -0.08 0.11 0.17 -0.69 -0.69 0.00 0.00 174.62 173.44 1rby s VAL 136 N 0.96 5.40 0.03 3.82 1.01 0.38 -1.21 120.40 130.78 1rby s VAL 136 Ca -0.09 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 1rby s VAL 136 Cb -0.12 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1rby s VAL 136 CO -0.02 0.46 -0.02 -1.38 0.00 0.00 0.00 175.10 174.14 1rby s HIS 137 N 0.18 0.34 0.43 5.22 -0.00 -0.73 -0.29 115.29 120.45 1rby s HIS 137 Ca 0.11 -0.70 -0.25 0.00 -0.00 0.00 0.00 55.06 54.21 1rby s HIS 137 Cb -0.12 -0.25 -0.08 0.00 -0.00 0.00 0.00 32.58 32.13 1rby s HIS 137 CO 0.00 -0.27 1.28 -0.06 -0.00 0.00 0.00 174.74 175.69 1rby s PHE 138 N -2.40 2.77 -0.23 0.38 0.08 0.05 -0.69 117.98 117.94 1rby s PHE 138 Ca -0.07 1.43 -0.29 0.00 0.12 0.00 0.00 56.93 58.12 1rby s PHE 138 Cb -0.03 -3.63 0.01 0.00 -0.57 0.00 0.00 43.02 38.80 1rby s PHE 138 CO -0.04 -2.07 1.02 0.08 -0.10 0.00 0.00 175.22 174.11 1rby s VAL 139 N -1.31 4.70 0.40 -0.44 1.01 -0.30 -3.66 120.40 120.80 1rby s VAL 139 Ca 0.60 1.99 0.08 0.00 0.00 0.00 0.00 61.98 64.64 1rby s VAL 139 Cb -0.37 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1rby s VAL 139 CO 0.46 -0.16 0.25 0.00 0.00 0.00 0.00 175.10 175.65 1rby s ALA 140 N 3.12 3.76 0.19 5.51 0.00 -1.26 -4.82 121.76 128.26 1rby s ALA 140 Ca 0.43 -1.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.29 1rby s ALA 140 Cb -0.15 -0.68 0.16 0.00 0.00 0.00 0.00 23.12 22.45 1rby s ALA 140 CO 0.07 -0.16 1.81 1.49 0.00 0.00 0.00 175.76 178.96 1rby h GLU 141 N 1.29 0.61 -6.28 0.00 4.81 -1.94 -3.39 114.58 109.69 1rby h GLU 141 Ca -0.42 -0.04 -0.55 0.00 -0.13 0.00 0.00 59.36 58.22 1rby h GLU 141 Cb 1.26 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1rby h GLU 141 CO 0.64 0.41 0.93 -0.51 -0.73 0.00 0.00 179.01 179.75 1rby s ASP 142 N -5.58 6.82 0.21 1.04 1.11 -1.26 -4.95 116.67 114.05 1rby s ASP 142 Ca -0.13 2.04 -0.32 0.00 0.18 0.00 0.00 52.55 54.31 1rby s ASP 142 Cb 0.14 -2.55 -0.13 0.00 1.07 0.00 0.00 42.92 41.46 1rby s ASP 142 CO 0.75 -0.79 1.58 0.52 1.18 0.00 0.00 175.17 178.41 1rby n VAL 143 N 5.11 0.35 -2.53 -1.27 0.31 -1.26 -2.25 118.33 116.79 1rby n VAL 143 Ca 0.15 -0.09 -0.14 0.00 -0.01 0.00 0.00 64.34 64.25 1rby n VAL 143 Cb 0.44 -1.70 -0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1rby n VAL 143 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1rby n ASP 144 N 3.10 -4.07 0.00 4.52 8.00 -1.26 -4.82 116.55 122.02 1rby n ASP 144 Ca 0.14 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1rby n ASP 144 Cb 0.32 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.98 1rby n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rby n ALA 145 N -2.35 1.80 -0.84 2.24 0.00 -0.96 -4.96 120.51 115.44 1rby n ALA 145 Ca -0.14 -0.53 -0.28 0.00 0.00 0.00 0.00 53.44 52.49 1rby n ALA 145 Cb 0.61 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.28 1rby n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rby s GLY 146 N -0.24 1.55 0.21 0.00 0.00 -1.24 -4.90 107.32 102.69 1rby s GLY 146 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.13 1rby s GLY 146 CO 0.00 0.40 1.38 1.20 0.00 0.00 0.00 173.10 176.08 1rby s GLN 147 N -4.71 4.33 0.07 2.90 -1.52 -1.24 -4.64 119.66 114.85 1rby s GLN 147 Ca 0.67 2.16 -0.29 0.00 -1.95 0.00 0.00 55.36 55.95 1rby s GLN 147 Cb -0.22 -3.17 -0.05 0.00 -0.22 0.00 0.00 33.01 29.36 1rby s GLN 147 CO 0.61 -0.35 0.94 0.42 -0.25 0.00 0.00 175.29 176.66 1rby s ILE 148 N 0.23 4.65 -0.20 1.08 1.01 -1.26 -0.77 121.20 125.93 1rby s ILE 148 Ca 0.59 2.01 -0.17 0.00 0.00 0.00 0.00 60.65 63.08 1rby s ILE 148 Cb -0.39 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 37.71 1rby s ILE 148 CO 0.39 0.27 -0.35 -0.38 0.00 0.00 0.00 174.94 174.87 1rby n ILE 149 N 3.16 1.50 -4.01 2.92 5.41 0.61 -4.94 119.36 124.01 1rby n ILE 149 Ca 0.03 0.05 -0.08 0.00 1.00 0.00 0.00 62.75 63.74 1rby n ILE 149 Cb 0.50 -2.27 -0.11 0.00 -0.71 0.00 0.00 39.64 37.06 1rby n ILE 149 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1rby s LEU 150 N -7.84 2.27 0.03 1.39 1.43 -1.14 -5.02 118.68 109.79 1rby s LEU 150 Ca -0.31 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.12 1rby s LEU 150 Cb 0.06 0.19 -0.02 0.00 0.03 0.00 0.00 46.19 46.44 1rby s LEU 150 CO 0.44 -0.41 0.00 -1.10 0.23 0.00 0.00 176.35 175.51 1rby s GLN 151 N -2.33 0.45 -0.03 1.70 -0.21 -1.26 -0.47 119.66 117.50 1rby s GLN 151 Ca -0.08 -0.77 -0.00 0.00 0.02 0.00 0.00 55.36 54.53 1rby s GLN 151 Cb -0.04 0.16 0.03 0.00 1.00 0.00 0.00 33.01 34.16 1rby s GLN 151 CO -0.04 -0.09 0.01 -2.00 -2.12 0.00 0.00 175.29 171.06 1rby s GLU 152 N -2.27 0.20 0.34 2.91 2.12 -0.75 -5.00 118.70 116.26 1rby s GLU 152 Ca -0.08 0.14 -0.26 0.00 0.36 0.00 0.00 54.97 55.13 1rby s GLU 152 Cb -0.04 -0.48 -0.09 0.00 0.26 0.00 0.00 34.13 33.78 1rby s GLU 152 CO -0.04 -0.18 1.00 0.00 -0.54 0.00 0.00 175.26 175.50 1rby s ALA 153 N 1.26 3.20 -0.03 6.30 0.00 -1.26 -1.88 121.76 129.34 1rby s ALA 153 Ca -0.06 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1rby s ALA 153 Cb -0.13 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1rby s ALA 153 CO -0.02 0.00 -0.01 0.08 0.00 0.00 0.00 175.76 175.81 1rby s VAL 154 N -1.56 0.26 0.51 0.00 1.01 0.14 -4.89 120.40 115.87 1rby s VAL 154 Ca 0.52 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.33 1rby s VAL 154 Cb -0.22 -0.34 -0.06 0.00 0.00 0.00 0.00 36.38 35.76 1rby s VAL 154 CO 0.27 0.16 1.16 -2.16 0.00 0.00 0.00 175.10 174.54 1rby s PRO 155 N 1.01 3.47 -0.13 2.72 0.04 -1.26 -0.35 135.00 140.50 1rby s PRO 155 Ca -0.10 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.52 1rby s PRO 155 Cb -0.14 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 1rby s PRO 155 CO -0.01 -0.77 0.30 0.08 0.04 0.00 0.00 177.00 176.63 1rby s VAL 156 N -1.65 5.28 -0.06 -0.36 1.01 0.56 -4.78 120.40 120.40 1rby s VAL 156 Ca 0.70 0.57 -0.13 0.00 0.00 0.00 0.00 61.98 63.11 1rby s VAL 156 Cb -0.27 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1rby s VAL 156 CO 0.31 0.44 0.34 -0.54 0.00 0.00 0.00 175.10 175.65 1rby s LYS 157 N 0.10 3.93 0.17 2.72 1.02 -1.26 -4.82 119.74 121.59 1rby s LYS 157 Ca 0.18 0.26 -0.33 0.00 0.02 0.00 0.00 55.97 56.09 1rby s LYS 157 Cb -0.13 -3.27 -0.15 0.00 -0.52 0.00 0.00 37.83 33.76 1rby s LYS 157 CO 0.05 0.58 1.42 0.54 -0.92 0.00 0.00 175.35 177.02 1rby n ARG 158 N 2.32 1.77 -0.83 1.68 1.74 -1.26 -0.81 116.66 121.27 1rby n ARG 158 Ca -0.14 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1rby n ARG 158 Cb 0.53 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 1rby n ARG 158 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rby n GLY 159 N 2.64 0.71 3.73 -0.13 0.00 -1.26 -5.03 105.19 105.85 1rby n GLY 159 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1rby n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rby n ASP 160 N 0.00 2.84 -4.93 1.61 8.00 0.01 -5.04 116.55 119.04 1rby n ASP 160 Ca 0.00 1.09 -0.22 0.00 0.71 0.00 0.00 54.79 56.37 1rby n ASP 160 Cb 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.55 1rby n ASP 160 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1rby s THR 161 N -1.21 2.28 0.20 -3.53 -4.23 -1.26 -4.94 115.64 102.94 1rby s THR 161 Ca 0.63 -1.28 -0.10 0.00 -1.18 0.00 0.00 61.69 59.76 1rby s THR 161 Cb -0.47 -2.56 0.13 0.00 1.34 0.00 0.00 72.50 70.94 1rby s THR 161 CO 0.56 0.00 1.77 0.58 -0.54 0.00 0.00 174.62 176.99 1rby h VAL 162 N 0.72 0.85 -0.26 2.29 2.07 -1.96 -1.01 116.25 118.95 1rby h VAL 162 Ca -0.37 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1rby h VAL 162 Cb 1.28 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1rby h VAL 162 CO 0.52 0.09 0.14 0.00 0.02 0.00 0.00 177.57 178.34 1rby h ALA 163 N 1.37 0.32 -0.14 1.67 0.00 -1.98 0.18 119.26 120.67 1rby h ALA 163 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1rby h ALA 163 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rby h ALA 163 CO -0.25 -0.25 -0.22 1.79 0.00 0.00 0.00 179.25 180.33 1rby h THR 164 N 0.29 1.36 -0.47 0.00 1.35 -1.92 -2.25 112.91 111.27 1rby h THR 164 Ca 0.11 -1.45 -0.01 0.00 -0.55 0.00 0.00 66.41 64.51 1rby h THR 164 Cb 0.02 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 1rby h THR 164 CO -0.06 0.43 0.26 0.25 -0.25 0.00 0.00 175.52 176.14 1rby h LEU 165 N 0.01 0.59 -0.39 3.87 5.85 -1.13 -2.50 115.31 121.61 1rby h LEU 165 Ca 0.01 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1rby h LEU 165 Cb 0.79 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 1rby h LEU 165 CO 0.05 0.52 -0.08 -1.28 -0.34 0.00 0.00 178.44 177.31 1rby h SER 166 N 0.62 -0.32 -0.79 1.25 0.87 -0.66 -1.45 113.55 113.07 1rby h SER 166 Ca 0.17 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1rby h SER 166 Cb 0.06 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 1rby h SER 166 CO -0.03 -0.11 0.50 -0.08 -0.53 0.00 0.00 176.83 176.58 1rby h GLU 167 N 0.02 1.05 -0.47 2.24 4.57 -1.22 -1.08 114.58 119.70 1rby h GLU 167 Ca 0.19 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1rby h GLU 167 Cb 0.28 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1rby h GLU 167 CO -0.39 0.72 0.13 -0.09 -1.18 0.00 0.00 179.01 178.20 1rby h ARG 168 N 1.07 0.73 -0.37 1.92 2.43 -0.98 -2.66 114.38 116.53 1rby h ARG 168 Ca 0.29 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1rby h ARG 168 Cb -0.09 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1rby h ARG 168 CO -0.06 0.71 -0.25 0.28 -1.51 0.00 0.00 179.97 179.14 1rby h VAL 169 N 0.62 1.27 -0.88 0.20 2.07 -1.11 -2.90 116.25 115.53 1rby h VAL 169 Ca 0.15 -1.37 0.09 0.00 0.82 0.00 0.00 66.70 66.40 1rby h VAL 169 Cb 0.29 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1rby h VAL 169 CO -0.00 0.45 0.52 0.11 0.02 0.00 0.00 177.57 178.68 1rby h LYS 170 N 0.66 0.86 -0.72 1.57 1.57 -1.02 -0.57 116.57 118.91 1rby h LYS 170 Ca 0.09 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1rby h LYS 170 Cb 0.76 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1rby h LYS 170 CO 0.06 0.57 0.43 -0.07 -0.57 0.00 0.00 179.45 179.87 1rby h LEU 171 N 0.88 0.85 -0.66 2.94 3.38 -1.27 -0.84 115.31 120.60 1rby h LEU 171 Ca 0.42 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.21 1rby h LEU 171 Cb 0.35 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1rby h LEU 171 CO -0.24 0.66 -0.35 0.00 0.09 0.00 0.00 178.44 178.60 1rby h ALA 172 N 1.49 0.84 -0.73 1.53 0.00 -1.23 -3.14 119.26 118.02 1rby h ALA 172 Ca 0.26 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1rby h ALA 172 Cb -0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1rby h ALA 172 CO -0.05 0.64 0.37 0.93 0.00 0.00 0.00 179.25 181.14 1rby h GLU 173 N 0.55 1.04 -0.18 0.00 5.08 -0.44 -1.44 114.58 119.19 1rby h GLU 173 Ca 0.06 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1rby h GLU 173 Cb 0.86 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1rby h GLU 173 CO 0.07 0.80 0.16 0.45 -1.00 0.00 0.00 179.01 179.50 1rby h HIS 174 N 1.01 0.00 0.02 4.33 3.86 -1.13 -1.12 115.15 122.12 1rby h HIS 174 Ca 0.25 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1rby h HIS 174 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1rby h HIS 174 CO 0.00 0.00 -0.01 0.87 0.86 0.00 0.00 177.93 179.65 1rby h LYS 175 N 0.00 -0.03 0.00 2.45 1.57 -1.30 -3.40 116.57 115.86 1rby h LYS 175 Ca 0.09 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 1rby h LYS 175 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1rby h LYS 175 CO -0.00 0.05 -0.46 -0.84 -0.57 0.00 0.00 179.45 177.63 1rby h ILE 176 N -1.01 0.84 0.25 1.86 3.07 -1.19 -3.08 117.51 118.25 1rby h ILE 176 Ca -0.00 -2.00 -0.01 0.00 1.55 0.00 0.00 64.86 64.39 1rby h ILE 176 Cb 0.09 2.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 1rby h ILE 176 CO 0.00 0.45 -0.12 0.15 -1.05 0.00 0.00 178.15 177.58 1rby h PHE 177 N 0.00 -0.31 -0.30 0.16 3.04 -1.44 -0.98 116.94 117.11 1rby h PHE 177 Ca -0.00 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1rby h PHE 177 Cb 1.25 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.85 1rby h PHE 177 CO 0.00 -0.03 -0.06 -1.35 -2.02 0.00 0.00 178.31 174.85 1rby h PRO 178 N -0.59 0.48 -0.45 6.41 0.11 -1.78 -1.52 132.00 134.66 1rby h PRO 178 Ca -0.03 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 1rby h PRO 178 Cb 0.43 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 1rby h PRO 178 CO 0.06 0.55 0.19 0.00 -0.21 0.00 0.00 178.00 178.59 1rby h ALA 179 N 1.49 0.59 -0.58 -0.75 0.00 -1.47 -1.52 119.26 117.02 1rby h ALA 179 Ca 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1rby h ALA 179 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1rby h ALA 179 CO 0.02 0.19 0.01 0.00 0.00 0.00 0.00 179.25 179.46 1rby h ALA 180 N 1.03 0.78 -0.21 0.00 0.00 -0.99 -1.58 119.26 118.29 1rby h ALA 180 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rby h ALA 180 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rby h ALA 180 CO -0.01 0.60 0.14 1.25 0.00 0.00 0.00 179.25 181.22 1rby h LEU 181 N 0.90 0.24 -0.99 0.00 5.85 -1.19 -1.34 115.31 118.78 1rby h LEU 181 Ca 0.16 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1rby h LEU 181 Cb 0.54 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1rby h LEU 181 CO 0.03 0.18 0.65 1.56 -0.34 0.00 0.00 178.44 180.52 1rby h GLN 182 N 0.28 1.27 -0.43 1.25 1.08 -1.11 0.21 115.11 117.66 1rby h GLN 182 Ca 0.08 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1rby h GLN 182 Cb -0.03 -0.29 -0.02 0.00 -0.05 0.00 0.00 27.48 27.09 1rby h GLN 182 CO -0.02 0.84 0.25 -0.07 -0.95 0.00 0.00 178.83 178.89 1rby h LEU 183 N 1.31 0.52 -0.01 1.46 3.38 -1.03 -0.46 115.31 120.48 1rby h LEU 183 Ca 0.37 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 58.08 1rby h LEU 183 Cb -0.10 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1rby h LEU 183 CO -0.09 0.43 -0.74 0.58 0.09 0.00 0.00 178.44 178.71 1rby h VAL 184 N 0.56 1.37 -0.46 1.22 2.07 -0.96 0.15 116.25 120.21 1rby h VAL 184 Ca 0.15 -2.11 -0.05 0.00 0.82 0.00 0.00 66.70 65.51 1rby h VAL 184 Cb 0.02 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1rby h VAL 184 CO -0.03 0.63 0.06 0.00 0.02 0.00 0.00 177.57 178.25 1rby h ALA 185 N 0.36 1.25 0.00 1.67 0.00 -0.57 -1.30 119.26 120.67 1rby h ALA 185 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1rby h ALA 185 Cb 1.43 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1rby h ALA 185 CO 0.15 0.51 0.00 -1.13 0.00 0.00 0.00 179.25 178.78 1rby n SER 186 N -4.26 0.17 -0.29 0.00 3.41 -0.18 -4.58 113.62 107.88 1rby n SER 186 Ca 0.03 0.52 -0.04 0.00 -0.26 0.00 0.00 58.87 59.12 1rby n SER 186 Cb 0.25 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.61 1rby n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rby n GLY 187 N 0.97 0.67 0.21 5.00 0.00 -0.49 -4.91 105.19 106.63 1rby n GLY 187 Ca 0.06 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 1rby n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rby h THR 188 N 0.00 1.32 -3.67 2.61 2.02 -1.25 -3.43 112.91 110.51 1rby h THR 188 Ca -0.08 -1.74 -0.68 0.00 0.77 0.00 0.00 66.41 64.68 1rby h THR 188 Cb 0.30 1.74 -0.32 0.00 -1.74 0.00 0.00 68.15 68.13 1rby h THR 188 CO 0.11 0.54 -0.88 -0.69 0.37 0.00 0.00 175.52 174.97 1rby s VAL 189 N -4.04 2.05 0.07 3.16 1.01 -0.47 -0.80 120.40 121.38 1rby s VAL 189 Ca -0.07 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.90 1rby s VAL 189 Cb 0.12 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1rby s VAL 189 CO 0.83 0.56 -0.09 -1.10 0.00 0.00 0.00 175.10 175.30 1rby s GLN 190 N 0.09 0.71 -0.51 2.72 -0.21 -0.08 -4.30 119.66 118.09 1rby s GLN 190 Ca -0.11 -1.02 -0.26 0.00 0.02 0.00 0.00 55.36 53.99 1rby s GLN 190 Cb -0.16 -0.38 0.03 0.00 1.00 0.00 0.00 33.01 33.51 1rby s GLN 190 CO 0.06 0.05 0.98 -1.17 -2.12 0.00 0.00 175.29 173.10 1rby s LEU 191 N -2.18 3.93 1.06 2.90 0.20 -1.26 -0.40 118.68 122.93 1rby s LEU 191 Ca -0.00 -0.00 -0.12 0.00 0.69 0.00 0.00 54.13 54.70 1rby s LEU 191 Cb -0.04 -3.11 0.22 0.00 -0.43 0.00 0.00 46.19 42.83 1rby s LEU 191 CO -0.01 -1.18 1.07 -0.83 -0.29 0.00 0.00 176.35 175.11 1rby s GLY 192 N 2.55 1.58 0.55 7.98 0.00 0.14 -4.91 107.32 115.22 1rby s GLY 192 Ca 0.37 -0.02 0.34 0.00 0.00 0.00 0.00 44.72 45.41 1rby s GLY 192 CO 0.24 0.60 2.01 0.83 0.00 0.00 0.00 173.10 176.78 1rby h GLU 193 N -2.23 0.00 -0.04 2.90 5.08 -1.97 -2.09 114.58 116.24 1rby h GLU 193 Ca -0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1rby h GLU 193 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1rby h GLU 193 CO 0.50 0.01 0.00 0.27 -1.00 0.00 0.00 179.01 178.80 1rby n ASN 194 N -3.11 0.35 0.00 1.42 6.94 -1.26 -4.88 115.26 114.72 1rby n ASN 194 Ca 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 54.58 53.03 1rby n ASN 194 Cb 0.29 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 1rby n ASN 194 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rby n GLY 195 N 0.84 0.82 3.83 4.83 0.00 -0.79 -5.04 105.19 109.68 1rby n GLY 195 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1rby n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rby s LYS 196 N -0.15 3.05 0.10 1.61 -0.14 -1.26 -4.82 119.74 118.13 1rby s LYS 196 Ca 0.00 -0.69 -0.31 0.00 -1.36 0.00 0.00 55.97 53.61 1rby s LYS 196 Cb 0.00 -2.78 -0.08 0.00 -1.68 0.00 0.00 37.83 33.29 1rby s LYS 196 CO 0.00 0.54 1.44 -1.50 -0.76 0.00 0.00 175.35 175.07 1rby s ILE 197 N -1.56 3.26 -0.09 2.17 1.10 -1.26 0.24 121.20 125.06 1rby s ILE 197 Ca 0.31 0.85 0.04 0.00 -0.51 0.00 0.00 60.65 61.34 1rby s ILE 197 Cb -0.12 -3.55 0.00 0.00 0.15 0.00 0.00 42.46 38.95 1rby s ILE 197 CO 0.24 0.05 -0.21 0.00 -2.11 0.00 0.00 174.94 172.91 1rby s TRP 199 N 0.36 3.23 -2.29 0.00 0.52 -1.26 -0.90 118.94 118.60 1rby s TRP 199 Ca -0.16 -0.40 0.30 0.00 0.02 0.00 0.00 56.10 55.86 1rby s TRP 199 Cb -0.17 -2.56 1.41 0.00 -1.15 0.00 0.00 33.47 31.00 1rby s TRP 199 CO 0.07 -0.49 1.95 0.28 0.02 0.00 0.00 176.95 178.78