#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tuy s LYS 2 N 0.00 3.17 -0.06 2.12 1.02 -1.26 -0.42 119.74 124.30 1tuy s LYS 2 Ca 0.00 -0.75 -0.02 0.00 0.02 0.00 0.00 55.97 55.22 1tuy s LYS 2 Cb 0.00 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 1tuy s LYS 2 CO 0.00 -0.15 0.05 0.08 -0.92 0.00 0.00 175.35 174.41 1tuy s VAL 3 N 1.22 4.62 -0.32 3.17 1.01 0.12 -1.93 120.40 128.29 1tuy s VAL 3 Ca 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1tuy s VAL 3 Cb -0.14 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.27 1tuy s VAL 3 CO -0.07 0.53 0.05 -0.22 0.00 0.00 0.00 175.10 175.39 1tuy s LEU 4 N -1.18 4.06 -0.11 3.92 2.96 -0.15 -0.22 118.68 127.96 1tuy s LEU 4 Ca 0.16 -1.15 -0.20 0.00 -0.22 0.00 0.00 54.13 52.73 1tuy s LEU 4 Cb -0.12 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1tuy s LEU 4 CO 0.06 -0.28 0.55 -0.69 -1.32 0.00 0.00 176.35 174.67 1tuy s VAL 5 N 1.35 5.13 -0.03 1.68 1.01 -0.60 -0.60 120.40 128.34 1tuy s VAL 5 Ca -0.03 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.09 1tuy s VAL 5 Cb -0.19 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1tuy s VAL 5 CO 0.01 0.28 -0.12 -0.63 0.00 0.00 0.00 175.10 174.64 1tuy s ILE 6 N 0.80 3.25 -0.37 2.22 1.09 -0.03 -1.92 121.20 126.23 1tuy s ILE 6 Ca 0.29 -0.75 0.01 0.00 -1.10 0.00 0.00 60.65 59.10 1tuy s ILE 6 Cb -0.16 -2.32 0.14 0.00 -1.06 0.00 0.00 42.46 39.06 1tuy s ILE 6 CO 0.12 0.53 0.22 0.20 -0.10 0.00 0.00 174.94 175.91 1tuy s ASN 7 N -0.96 3.06 0.07 3.58 0.01 0.33 -2.82 114.94 118.21 1tuy s ASN 7 Ca 0.13 -2.32 -0.15 0.00 -0.71 0.00 0.00 52.86 49.81 1tuy s ASN 7 Cb -0.11 -0.54 -0.06 0.00 0.41 0.00 0.00 41.25 40.95 1tuy s ASN 7 CO 0.02 -0.29 0.48 0.00 -1.51 0.00 0.00 177.10 175.80 1tuy s ALA 8 N 0.87 3.64 0.03 0.60 0.00 -1.26 -0.49 121.76 125.16 1tuy s ALA 8 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1tuy s ALA 8 Cb -0.22 -2.47 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 1tuy s ALA 8 CO -0.00 0.47 0.01 0.41 0.00 0.00 0.00 175.76 176.64 1tuy n GLY 9 N 1.42 4.10 0.31 0.00 0.00 0.20 -4.10 105.19 107.12 1tuy n GLY 9 Ca -0.10 -2.05 0.20 0.00 0.00 0.00 0.00 46.02 44.06 1tuy n GLY 9 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1tuy h SER 10 N 0.09 0.00 0.00 1.61 0.02 -1.90 -3.32 113.55 110.05 1tuy h SER 10 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1tuy h SER 10 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1tuy h SER 10 CO 0.04 0.01 0.00 -1.54 -1.14 0.00 0.00 176.83 174.20 1tuy n SER 11 N -3.20 0.00 -4.35 3.07 3.41 -1.26 -4.91 113.62 106.38 1tuy n SER 11 Ca -0.02 -1.00 -0.18 0.00 -0.26 0.00 0.00 58.87 57.41 1tuy n SER 11 Cb 0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1tuy n SER 11 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1tuy s SER 12 N 0.00 2.00 -0.34 4.04 1.04 -1.25 -0.05 113.70 119.14 1tuy s SER 12 Ca 0.00 -1.21 0.04 0.00 0.48 0.00 0.00 55.95 55.26 1tuy s SER 12 Cb 0.00 -0.02 0.17 0.00 0.10 0.00 0.00 66.02 66.27 1tuy s SER 12 CO 0.00 -0.48 0.48 -0.22 0.98 0.00 0.00 173.24 173.99 1tuy s LEU 13 N -3.33 -0.87 -0.24 2.42 2.96 -0.66 -0.63 118.68 118.32 1tuy s LEU 13 Ca 0.28 -0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 53.17 1tuy s LEU 13 Cb 0.05 1.28 0.01 0.00 0.50 0.00 0.00 46.19 48.03 1tuy s LEU 13 CO 0.09 -0.28 1.03 -0.54 -1.32 0.00 0.00 176.35 175.34 1tuy s LYS 14 N 2.11 4.24 0.30 1.98 1.02 0.36 -2.33 119.74 127.42 1tuy s LYS 14 Ca 0.13 1.31 0.11 0.00 0.02 0.00 0.00 55.97 57.54 1tuy s LYS 14 Cb -0.11 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.50 1tuy s LYS 14 CO -0.17 -0.65 -0.17 1.52 -0.92 0.00 0.00 175.35 174.96 1tuy s TYR 15 N 3.23 2.31 -0.30 3.18 -0.85 -1.25 -0.51 117.35 123.16 1tuy s TYR 15 Ca 0.44 -0.38 -0.07 0.00 -0.52 0.00 0.00 57.07 56.53 1tuy s TYR 15 Cb -0.15 -1.10 0.16 0.00 0.38 0.00 0.00 41.96 41.26 1tuy s TYR 15 CO 0.07 0.68 0.68 -1.14 -1.52 0.00 0.00 175.55 174.32 1tuy s GLN 16 N -3.54 0.53 -0.41 -3.49 0.74 -0.81 -1.74 119.66 110.93 1tuy s GLN 16 Ca 0.31 1.16 -0.22 0.00 0.05 0.00 0.00 55.36 56.65 1tuy s GLN 16 Cb -0.03 0.68 0.02 0.00 1.10 0.00 0.00 33.01 34.78 1tuy s GLN 16 CO 0.15 -0.35 0.74 -1.17 -0.55 0.00 0.00 175.29 174.11 1tuy s LEU 17 N 2.85 4.27 -0.08 3.68 2.96 -0.65 -1.55 118.68 130.15 1tuy s LEU 17 Ca 0.05 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1tuy s LEU 17 Cb -0.13 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 1tuy s LEU 17 CO -0.19 -0.80 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.32 1tuy s ILE 18 N 3.08 3.55 -0.57 6.68 1.01 0.70 -1.33 121.20 134.31 1tuy s ILE 18 Ca 0.28 -0.53 -0.17 0.00 0.00 0.00 0.00 60.65 60.23 1tuy s ILE 18 Cb -0.13 -2.45 0.12 0.00 0.01 0.00 0.00 42.46 40.01 1tuy s ILE 18 CO 0.20 0.58 0.61 -0.62 0.00 0.00 0.00 174.94 175.70 1tuy s ASP 19 N -0.59 6.20 0.64 3.58 2.15 -0.56 0.13 116.67 128.23 1tuy s ASP 19 Ca 0.09 -1.65 0.37 0.00 0.43 0.00 0.00 52.55 51.78 1tuy s ASP 19 Cb -0.12 -2.25 2.08 0.00 -0.30 0.00 0.00 42.92 42.33 1tuy s ASP 19 CO 0.02 -0.97 2.25 0.24 -0.17 0.00 0.00 175.17 176.53 1tuy h MET 20 N 9.00 0.00 -0.03 4.34 2.86 -1.04 0.15 114.93 130.21 1tuy h MET 20 Ca -0.28 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1tuy h MET 20 Cb 1.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1tuy h MET 20 CO 1.06 0.00 -0.21 1.15 1.06 0.00 0.00 176.91 179.97 1tuy h THR 21 N 0.00 0.00 -0.29 2.22 2.02 -1.92 -2.94 112.91 112.00 1tuy h THR 21 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1tuy h THR 21 Cb 0.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1tuy h THR 21 CO -0.00 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 175.43 1tuy n ASN 22 N -3.66 3.06 -3.52 4.18 2.04 -1.21 -4.97 115.26 111.18 1tuy n ASN 22 Ca -0.03 -1.89 -0.20 0.00 -0.44 0.00 0.00 54.58 52.02 1tuy n ASN 22 Cb 0.15 -0.19 0.08 0.00 -2.53 0.00 0.00 39.78 37.29 1tuy n ASN 22 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 1tuy n GLU 23 N 1.15 -6.96 -4.52 -3.83 2.13 0.43 -4.99 120.64 104.04 1tuy n GLU 23 Ca 0.15 0.82 -0.33 0.00 0.66 0.00 0.00 57.16 58.46 1tuy n GLU 23 Cb 0.51 -5.82 -0.13 0.00 0.27 0.00 0.00 31.44 26.27 1tuy n GLU 23 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1tuy s SER 24 N -3.97 4.56 -0.24 4.31 0.15 -0.64 -4.91 113.70 112.95 1tuy s SER 24 Ca 0.22 -0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.40 1tuy s SER 24 Cb -0.10 -1.72 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 1tuy s SER 24 CO 0.74 0.17 1.34 0.00 1.20 0.00 0.00 173.24 176.69 1tuy s ALA 25 N 0.33 3.45 -0.13 5.45 0.00 -1.26 -1.50 121.76 128.10 1tuy s ALA 25 Ca -0.06 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.89 1tuy s ALA 25 Cb -0.15 -3.74 -0.26 0.00 0.00 0.00 0.00 23.12 18.98 1tuy s ALA 25 CO 0.04 -1.61 0.81 -0.07 0.00 0.00 0.00 175.76 174.93 1tuy h LEU 26 N 10.62 0.01 -7.63 0.00 3.38 -1.57 -3.42 115.31 116.70 1tuy h LEU 26 Ca -0.27 -0.96 -0.13 0.00 0.09 0.00 0.00 57.88 56.60 1tuy h LEU 26 Cb 1.11 -0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.65 1tuy h LEU 26 CO 1.01 0.97 -0.39 0.00 0.09 0.00 0.00 178.44 180.12 1tuy s ALA 27 N -2.37 -0.54 -0.06 1.53 0.00 -1.16 -1.80 121.76 117.36 1tuy s ALA 27 Ca -0.19 0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1tuy s ALA 27 Cb -0.03 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1tuy s ALA 27 CO 0.69 -0.23 -0.07 0.08 0.00 0.00 0.00 175.76 176.24 1tuy s VAL 28 N -1.30 0.77 0.00 0.00 1.01 -0.40 -1.64 120.40 118.83 1tuy s VAL 28 Ca -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1tuy s VAL 28 Cb -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1tuy s VAL 28 CO 0.03 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1tuy n GLY 29 N 4.23 5.12 3.18 4.51 0.00 -0.71 -0.45 105.19 121.06 1tuy n GLY 29 Ca -0.21 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 43.87 1tuy n GLY 29 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tuy s LEU 30 N 0.00 -0.09 -0.12 0.99 2.96 -0.37 -3.75 118.68 118.30 1tuy s LEU 30 Ca 0.00 0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.95 1tuy s LEU 30 Cb 0.00 1.09 -0.04 0.00 0.50 0.00 0.00 46.19 47.74 1tuy s LEU 30 CO 0.00 -0.02 0.13 0.00 -1.32 0.00 0.00 176.35 175.15 1tuy s GLU 32 N -0.92 1.23 -1.40 0.00 2.02 0.18 -1.65 118.70 118.15 1tuy s GLU 32 Ca 0.14 -1.62 -0.02 0.00 0.02 0.00 0.00 54.97 53.50 1tuy s GLU 32 Cb -0.12 -0.26 0.01 0.00 0.10 0.00 0.00 34.13 33.85 1tuy s GLU 32 CO 0.04 -0.19 0.13 0.54 0.02 0.00 0.00 175.26 175.79 1tuy n ARG 33 N -0.33 -2.52 -1.91 1.61 3.00 -1.03 -1.41 116.66 114.08 1tuy n ARG 33 Ca -0.04 0.78 -0.42 0.00 -0.01 0.00 0.00 57.85 58.15 1tuy n ARG 33 Cb 0.64 -5.45 -0.03 0.00 0.00 0.00 0.00 32.46 27.63 1tuy n ARG 33 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1tuy s ILE 34 N -2.87 3.19 0.00 0.55 1.01 0.93 -1.34 121.20 122.66 1tuy s ILE 34 Ca 0.08 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1tuy s ILE 34 Cb -0.04 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1tuy s ILE 34 CO 0.10 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1tuy n GLY 35 N 4.13 2.78 0.00 6.18 0.00 0.74 -4.56 105.19 114.46 1tuy n GLY 35 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1tuy n GLY 35 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1tuy n ILE 36 N -2.00 0.00 -3.24 -0.61 2.08 -0.45 -4.95 119.36 110.19 1tuy n ILE 36 Ca 0.00 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.02 1tuy n ILE 36 Cb 0.00 -0.95 -0.03 0.00 -0.75 0.00 0.00 39.64 37.91 1tuy n ILE 36 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1tuy s ASP 37 N -0.93 6.46 -1.38 4.38 1.11 -1.26 -4.39 116.67 120.65 1tuy s ASP 37 Ca 0.00 0.80 -0.07 0.00 0.18 0.00 0.00 52.55 53.45 1tuy s ASP 37 Cb 0.00 -2.18 0.03 0.00 1.07 0.00 0.00 42.92 41.84 1tuy s ASP 37 CO 0.00 -0.24 0.99 0.59 1.18 0.00 0.00 175.17 177.69 1tuy n ASN 38 N -1.01 -4.11 -4.60 0.27 3.02 -1.26 -4.86 115.26 102.71 1tuy n ASN 38 Ca -0.01 -0.69 -0.37 0.00 -0.03 0.00 0.00 54.58 53.48 1tuy n ASN 38 Cb 0.54 -4.47 0.06 0.00 -0.61 0.00 0.00 39.78 35.29 1tuy n ASN 38 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1tuy n SER 39 N -2.98 0.52 -3.64 6.41 7.64 -1.26 -4.79 113.62 115.52 1tuy n SER 39 Ca -0.09 0.77 -0.13 0.00 1.01 0.00 0.00 58.87 60.42 1tuy n SER 39 Cb 0.59 -1.37 -0.07 0.00 -1.01 0.00 0.00 64.21 62.34 1tuy n SER 39 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1tuy s ILE 40 N -1.59 -0.00 0.00 0.44 2.07 -0.50 -3.64 121.20 117.99 1tuy s ILE 40 Ca 0.75 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 60.06 1tuy s ILE 40 Cb -0.40 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.21 1tuy s ILE 40 CO 0.48 0.00 -0.19 -0.51 -1.91 0.00 0.00 174.94 172.81 1tuy s ILE 41 N 0.44 2.72 0.04 2.00 2.07 -1.01 0.51 121.20 127.97 1tuy s ILE 41 Ca -0.01 -1.04 0.04 0.00 -1.41 0.00 0.00 60.65 58.23 1tuy s ILE 41 Cb -0.05 -2.09 -0.02 0.00 0.13 0.00 0.00 42.46 40.43 1tuy s ILE 41 CO -0.00 0.45 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.47 1tuy s THR 42 N -0.81 0.89 -0.05 4.00 2.01 -0.33 -1.95 115.64 119.39 1tuy s THR 42 Ca 0.13 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 1tuy s THR 42 Cb -0.10 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.58 1tuy s THR 42 CO 0.03 -0.08 0.19 -1.58 -0.69 0.00 0.00 174.62 172.48 1tuy s GLN 43 N -1.15 0.30 -0.09 4.92 0.74 -0.85 -1.23 119.66 122.31 1tuy s GLN 43 Ca -0.01 0.11 0.01 0.00 0.05 0.00 0.00 55.36 55.51 1tuy s GLN 43 Cb -0.08 0.14 0.02 0.00 1.10 0.00 0.00 33.01 34.19 1tuy s GLN 43 CO 0.01 -0.05 -0.11 0.21 -0.55 0.00 0.00 175.29 174.80 1tuy s LYS 44 N -0.28 1.65 0.57 1.67 2.47 0.41 -0.83 119.74 125.40 1tuy s LYS 44 Ca -0.04 -0.36 -0.03 0.00 -1.56 0.00 0.00 55.97 53.99 1tuy s LYS 44 Cb -0.03 -1.49 0.03 0.00 -1.46 0.00 0.00 37.83 34.87 1tuy s LYS 44 CO 0.01 -0.09 0.84 0.21 0.16 0.00 0.00 175.35 176.48 1tuy s LYS 45 N 1.07 2.67 0.34 4.03 2.20 -0.47 -1.28 119.74 128.31 1tuy s LYS 45 Ca -0.07 -0.39 0.25 0.00 -0.36 0.00 0.00 55.97 55.40 1tuy s LYS 45 Cb -0.14 -2.37 1.19 0.00 -1.51 0.00 0.00 37.83 35.00 1tuy s LYS 45 CO -0.01 -0.74 1.76 0.27 -0.36 0.00 0.00 175.35 176.27 1tuy h PHE 46 N -0.08 0.00 -0.58 4.03 -5.15 -1.61 -2.16 116.94 111.39 1tuy h PHE 46 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1tuy h PHE 46 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.45 1tuy h PHE 46 CO 0.41 0.00 0.00 -0.40 -2.00 0.00 0.00 178.31 176.32 1tuy n ASP 47 N -2.38 3.66 0.00 -0.68 5.68 -1.26 -4.96 116.55 116.62 1tuy n ASP 47 Ca 0.00 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 1tuy n ASP 47 Cb 0.15 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 1tuy n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tuy n GLY 48 N 1.46 0.49 3.67 6.12 0.00 -0.81 -5.05 105.19 111.07 1tuy n GLY 48 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1tuy n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tuy s LYS 49 N -0.85 4.20 -0.15 1.61 1.02 -1.26 -4.78 119.74 119.53 1tuy s LYS 49 Ca 0.00 2.09 -0.03 0.00 0.02 0.00 0.00 55.97 58.05 1tuy s LYS 49 Cb 0.00 -3.87 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 1tuy s LYS 49 CO 0.00 -0.78 -0.06 0.15 -0.92 0.00 0.00 175.35 173.74 1tuy s LYS 50 N 3.65 3.59 0.14 1.68 1.02 -1.26 -1.37 119.74 127.19 1tuy s LYS 50 Ca 0.69 -0.56 0.08 0.00 0.02 0.00 0.00 55.97 56.20 1tuy s LYS 50 Cb -0.32 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 1tuy s LYS 50 CO 0.27 0.21 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.64 1tuy s LEU 51 N 0.43 3.01 -0.09 3.17 2.96 -0.01 -4.98 118.68 123.17 1tuy s LEU 51 Ca -0.05 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 1tuy s LEU 51 Cb -0.15 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 44.82 1tuy s LEU 51 CO 0.03 0.14 0.20 -0.70 -1.32 0.00 0.00 176.35 174.71 1tuy s GLU 52 N -2.48 0.15 -0.09 1.98 2.12 -1.26 -2.01 118.70 117.11 1tuy s GLU 52 Ca 0.23 0.48 0.02 0.00 0.36 0.00 0.00 54.97 56.06 1tuy s GLU 52 Cb -0.10 -0.15 0.02 0.00 0.26 0.00 0.00 34.13 34.16 1tuy s GLU 52 CO 0.14 -0.18 -0.12 0.21 -0.54 0.00 0.00 175.26 174.77 1tuy s LYS 53 N 1.35 1.81 -0.54 4.30 2.20 -0.82 -5.02 119.74 123.00 1tuy s LYS 53 Ca -0.08 -0.42 -0.13 0.00 -0.36 0.00 0.00 55.97 54.98 1tuy s LYS 53 Cb -0.11 -1.58 0.13 0.00 -1.51 0.00 0.00 37.83 34.76 1tuy s LYS 53 CO -0.07 -0.06 0.47 -0.51 -0.36 0.00 0.00 175.35 174.81 1tuy s LEU 54 N 0.98 6.04 0.05 5.43 2.01 -1.26 -2.41 118.68 129.52 1tuy s LEU 54 Ca -0.08 -1.93 -0.07 0.00 0.01 0.00 0.00 54.13 52.06 1tuy s LEU 54 Cb -0.15 -2.13 -0.01 0.00 0.01 0.00 0.00 46.19 43.91 1tuy s LEU 54 CO -0.00 -0.77 0.13 0.28 1.01 0.00 0.00 176.35 177.00 1tuy s THR 55 N 1.36 0.13 0.15 5.49 -1.32 -1.24 -5.06 115.64 115.15 1tuy s THR 55 Ca 0.06 -1.09 -0.31 0.00 -1.21 0.00 0.00 61.69 59.14 1tuy s THR 55 Cb -0.27 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.64 1tuy s THR 55 CO 0.01 -0.60 1.37 -0.62 -2.21 0.00 0.00 174.62 172.57 1tuy s ASP 56 N -2.27 6.83 -0.60 8.08 2.15 -1.26 -4.26 116.67 125.34 1tuy s ASP 56 Ca -0.03 2.38 0.06 0.00 0.43 0.00 0.00 52.55 55.39 1tuy s ASP 56 Cb 0.00 -2.60 0.22 0.00 -0.30 0.00 0.00 42.92 40.25 1tuy s ASP 56 CO -0.06 -0.62 0.63 0.18 -0.17 0.00 0.00 175.17 175.13 1tuy n LEU 57 N 3.42 2.76 -0.17 -1.34 4.77 -1.26 -4.94 117.00 120.24 1tuy n LEU 57 Ca 0.09 -5.20 -0.02 0.00 -0.03 0.00 0.00 56.01 50.85 1tuy n LEU 57 Cb 0.42 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1tuy n LEU 57 CO 0.58 1.97 0.85 -0.65 -1.33 0.00 0.00 177.39 178.82 1tuy h PRO 58 N 4.54 0.12 -5.39 3.23 0.11 -1.91 0.21 132.00 132.91 1tuy h PRO 58 Ca 0.17 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.75 1tuy h PRO 58 Cb 0.73 -0.03 -0.14 0.00 0.11 0.00 0.00 31.00 31.68 1tuy h PRO 58 CO 0.72 0.08 -0.61 0.95 -0.21 0.00 0.00 178.00 178.93 1tuy s THR 59 N -6.16 1.49 0.35 -1.15 -4.23 -1.26 -3.18 115.64 101.50 1tuy s THR 59 Ca -0.13 -2.01 0.23 0.00 -1.18 0.00 0.00 61.69 58.60 1tuy s THR 59 Cb 0.16 -2.85 0.24 0.00 1.34 0.00 0.00 72.50 71.39 1tuy s THR 59 CO 0.73 -0.01 1.97 0.45 -0.54 0.00 0.00 174.62 177.21 1tuy h HIS 60 N 2.00 0.00 -0.28 3.99 3.86 -1.88 -2.30 115.15 120.54 1tuy h HIS 60 Ca -0.42 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.80 1tuy h HIS 60 Cb 1.24 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.69 1tuy h HIS 60 CO 0.63 0.19 0.16 -0.22 0.86 0.00 0.00 177.93 179.56 1tuy h LYS 61 N 0.00 0.33 0.31 2.45 3.64 -1.88 0.11 116.57 121.54 1tuy h LYS 61 Ca -0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1tuy h LYS 61 Cb 0.48 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1tuy h LYS 61 CO 0.03 0.22 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.83 1tuy h ASP 62 N 0.34 -0.36 -0.88 4.20 3.32 -1.81 -1.76 116.42 119.47 1tuy h ASP 62 Ca 0.11 -0.04 0.18 0.00 0.02 0.00 0.00 57.03 57.30 1tuy h ASP 62 Cb -0.01 0.09 -0.11 0.00 0.22 0.00 0.00 39.33 39.53 1tuy h ASP 62 CO -0.05 -0.19 0.43 0.00 -1.72 0.00 0.00 179.24 177.71 1tuy h ALA 63 N 0.18 1.38 -0.09 3.45 0.00 -1.08 0.13 119.26 123.22 1tuy h ALA 63 Ca -0.04 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1tuy h ALA 63 Cb 0.37 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1tuy h ALA 63 CO 0.07 -0.20 -0.40 1.25 0.00 0.00 0.00 179.25 179.97 1tuy h LEU 64 N 0.53 0.19 -0.48 0.00 5.85 -0.52 -1.20 115.31 119.68 1tuy h LEU 64 Ca 0.51 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 59.09 1tuy h LEU 64 Cb 0.86 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1tuy h LEU 64 CO -0.44 0.58 0.02 -0.08 -0.34 0.00 0.00 178.44 178.18 1tuy h GLU 65 N 0.16 0.84 0.00 1.25 4.81 0.12 -2.13 114.58 119.63 1tuy h GLU 65 Ca 0.02 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1tuy h GLU 65 Cb 0.77 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1tuy h GLU 65 CO 0.06 0.87 -0.19 0.93 -0.73 0.00 0.00 179.01 179.95 1tuy h GLU 66 N 0.70 0.00 -0.35 1.92 4.39 -0.91 -2.04 114.58 118.29 1tuy h GLU 66 Ca 0.14 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 1tuy h GLU 66 Cb 0.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1tuy h GLU 66 CO 0.02 0.19 -0.15 0.28 -1.16 0.00 0.00 179.01 178.18 1tuy h VAL 67 N 0.00 1.29 -0.56 3.13 2.07 -0.60 0.26 116.25 121.84 1tuy h VAL 67 Ca -0.00 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1tuy h VAL 67 Cb 0.45 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1tuy h VAL 67 CO 0.02 0.41 0.29 0.58 0.02 0.00 0.00 177.57 178.89 1tuy h VAL 68 N 0.50 1.20 0.04 2.57 2.07 -0.85 0.17 116.25 121.95 1tuy h VAL 68 Ca 0.08 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1tuy h VAL 68 Cb 0.69 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1tuy h VAL 68 CO 0.05 0.22 -0.02 0.11 0.02 0.00 0.00 177.57 177.95 1tuy h LYS 69 N 0.76 -0.05 -0.53 1.57 1.57 -1.19 -1.08 116.57 117.61 1tuy h LYS 69 Ca 0.20 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1tuy h LYS 69 Cb 0.09 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1tuy h LYS 69 CO -0.03 0.16 0.36 0.00 -0.57 0.00 0.00 179.45 179.37 1tuy h ALA 70 N 0.69 2.07 0.00 3.86 0.00 -0.15 -0.78 119.26 124.95 1tuy h ALA 70 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1tuy h ALA 70 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1tuy h ALA 70 CO 0.01 -0.19 -0.26 -0.07 0.00 0.00 0.00 179.25 178.73 1tuy h LEU 71 N 0.32 0.00 -3.20 0.00 3.38 -0.31 -3.27 115.31 112.23 1tuy h LEU 71 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1tuy h LEU 71 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1tuy h LEU 71 CO -0.06 0.26 0.00 0.35 0.09 0.00 0.00 178.44 179.09 1tuy n THR 72 N -3.17 1.99 -1.71 0.22 -2.24 -0.37 -1.23 114.28 107.77 1tuy n THR 72 Ca 0.03 -1.47 -0.42 0.00 -2.27 0.00 0.00 64.05 59.91 1tuy n THR 72 Cb 0.63 -0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1tuy n THR 72 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1tuy n ASP 73 N 0.25 2.96 -0.07 3.42 -0.08 -0.78 -4.82 116.55 117.43 1tuy n ASP 73 Ca 0.21 1.21 -0.07 0.00 -1.51 0.00 0.00 54.79 54.63 1tuy n ASP 73 Cb 0.84 -1.51 -0.01 0.00 2.34 0.00 0.00 41.12 42.78 1tuy n ASP 73 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1tuy h ASP 74 N 2.61 -0.70 0.00 1.67 1.82 -1.92 -0.94 116.42 118.95 1tuy h ASP 74 Ca -0.47 0.14 -0.32 0.00 -0.39 0.00 0.00 57.03 55.99 1tuy h ASP 74 Cb 1.28 0.35 -0.06 0.00 0.68 0.00 0.00 39.33 41.58 1tuy h ASP 74 CO 0.63 -0.25 -2.19 1.21 -1.61 0.00 0.00 179.24 177.02 1tuy n GLU 75 N -5.37 0.52 -0.21 0.28 2.13 -1.26 -4.55 120.64 112.18 1tuy n GLU 75 Ca -0.00 0.13 0.07 0.00 0.66 0.00 0.00 57.16 58.02 1tuy n GLU 75 Cb 0.28 -1.41 0.20 0.00 0.27 0.00 0.00 31.44 30.78 1tuy n GLU 75 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1tuy n PHE 76 N -3.17 0.55 -1.83 4.31 3.01 -1.25 -4.92 117.46 114.16 1tuy n PHE 76 Ca -0.38 -0.28 0.00 0.00 1.01 0.00 0.00 57.45 57.81 1tuy n PHE 76 Cb 0.89 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.36 1tuy n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tuy n GLY 77 N 1.19 1.54 0.00 1.37 0.00 -0.36 -4.78 105.19 104.16 1tuy n GLY 77 Ca 0.15 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1tuy n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1tuy n VAL 78 N -0.11 0.00 -4.10 1.61 0.24 -0.36 -4.89 118.33 110.71 1tuy n VAL 78 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1tuy n VAL 78 Cb 0.00 0.31 -0.12 0.00 -1.47 0.00 0.00 33.84 32.56 1tuy n VAL 78 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1tuy s ILE 79 N 0.00 0.76 0.14 1.34 -4.36 -0.94 -5.05 121.20 113.10 1tuy s ILE 79 Ca 0.00 -1.16 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 1tuy s ILE 79 Cb 0.00 -0.78 -0.18 0.00 1.25 0.00 0.00 42.46 42.75 1tuy s ILE 79 CO 0.00 -0.32 1.33 0.50 0.24 0.00 0.00 174.94 176.69 1tuy h LYS 80 N 4.42 0.23 -3.13 0.37 1.63 -1.88 -3.36 116.57 114.86 1tuy h LYS 80 Ca -0.38 -0.27 -0.03 0.00 -0.85 0.00 0.00 60.65 59.12 1tuy h LYS 80 Cb 1.20 0.08 -0.12 0.00 -0.60 0.00 0.00 32.23 32.79 1tuy h LYS 80 CO 0.40 1.02 0.12 0.16 -3.45 0.00 0.00 179.45 177.70 1tuy s ASP 81 N -6.97 -0.45 0.48 4.20 1.47 -1.26 -4.96 116.67 109.19 1tuy s ASP 81 Ca -0.03 -0.14 0.28 0.00 1.18 0.00 0.00 52.55 53.84 1tuy s ASP 81 Cb 0.09 0.57 1.34 0.00 -0.34 0.00 0.00 42.92 44.58 1tuy s ASP 81 CO 0.84 -0.95 1.81 -0.03 0.68 0.00 0.00 175.17 177.52 1tuy h MET 82 N 2.11 0.17 -0.44 2.11 1.85 -1.92 -1.15 114.93 117.66 1tuy h MET 82 Ca -0.33 -0.01 0.13 0.00 -0.61 0.00 0.00 59.70 58.88 1tuy h MET 82 Cb 1.29 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 33.26 1tuy h MET 82 CO 0.40 0.11 0.37 0.78 -0.40 0.00 0.00 176.91 178.17 1tuy h GLY 83 N 0.17 0.00 1.72 1.39 0.00 -2.01 -0.60 103.07 103.73 1tuy h GLY 83 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1tuy h GLY 83 CO -0.13 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.59 1tuy n GLU 84 N -4.10 0.15 -2.86 4.80 1.02 -0.44 -4.34 120.64 114.88 1tuy n GLU 84 Ca 0.08 0.17 -0.43 0.00 -0.02 0.00 0.00 57.16 56.96 1tuy n GLU 84 Cb 0.56 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.45 1tuy n GLU 84 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1tuy s ILE 85 N -2.72 4.34 0.29 -3.67 1.01 -0.24 -4.49 121.20 115.73 1tuy s ILE 85 Ca 0.12 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.44 1tuy s ILE 85 Cb 0.10 -4.69 0.02 0.00 0.01 0.00 0.00 42.46 37.90 1tuy s ILE 85 CO 0.25 -1.46 1.68 0.78 0.00 0.00 0.00 174.94 176.19 1tuy h ASN 86 N 9.54 0.16 -4.90 3.58 -0.26 -1.58 -3.48 115.58 118.63 1tuy h ASN 86 Ca -0.27 -0.07 0.07 0.00 -0.56 0.00 0.00 56.30 55.48 1tuy h ASN 86 Cb 1.07 -0.04 -0.12 0.00 -1.06 0.00 0.00 38.32 38.16 1tuy h ASN 86 CO 1.18 0.62 0.37 0.00 -1.06 0.00 0.00 177.43 178.54 1tuy s ALA 87 N -3.97 -1.66 -0.10 -0.83 0.00 -1.19 -4.26 121.76 109.75 1tuy s ALA 87 Ca -0.03 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.52 1tuy s ALA 87 Cb 0.13 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.91 1tuy s ALA 87 CO 0.77 -0.81 -0.19 0.08 0.00 0.00 0.00 175.76 175.61 1tuy s VAL 88 N -3.44 1.70 -0.25 0.00 1.01 -0.35 -0.98 120.40 118.11 1tuy s VAL 88 Ca 0.05 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1tuy s VAL 88 Cb -0.02 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1tuy s VAL 88 CO -0.07 0.48 0.08 -0.83 0.00 0.00 0.00 175.10 174.76 1tuy s GLY 89 N 0.66 1.79 -0.02 4.51 0.00 0.23 -1.32 107.32 113.17 1tuy s GLY 89 Ca -0.13 -1.09 -0.00 0.00 0.00 0.00 0.00 44.72 43.50 1tuy s GLY 89 CO 0.03 0.51 0.05 0.30 0.00 0.00 0.00 173.10 173.98 1tuy s HIS 90 N 1.53 3.21 -0.07 1.90 3.76 -0.31 -0.85 115.29 124.45 1tuy s HIS 90 Ca 0.06 0.17 -0.13 0.00 -0.15 0.00 0.00 55.06 55.01 1tuy s HIS 90 Cb -0.15 -1.73 -0.05 0.00 1.11 0.00 0.00 32.58 31.76 1tuy s HIS 90 CO 0.04 0.52 0.34 0.50 -0.85 0.00 0.00 174.74 175.29 1tuy s ARG 91 N -1.56 3.96 -0.04 1.40 3.52 -1.13 -1.62 118.95 123.48 1tuy s ARG 91 Ca 0.20 0.24 -0.02 0.00 -0.13 0.00 0.00 55.73 56.03 1tuy s ARG 91 Cb -0.12 -3.29 0.03 0.00 -1.56 0.00 0.00 34.95 30.02 1tuy s ARG 91 CO 0.11 0.54 0.08 0.08 -0.81 0.00 0.00 175.30 175.31 1tuy s VAL 92 N -0.52 -0.08 -0.03 7.11 1.01 -0.55 -4.84 120.40 122.51 1tuy s VAL 92 Ca 0.21 0.24 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 1tuy s VAL 92 Cb -0.15 -0.16 -0.20 0.00 0.00 0.00 0.00 36.38 35.87 1tuy s VAL 92 CO 0.09 0.10 1.23 0.58 0.00 0.00 0.00 175.10 177.10 1tuy h VAL 93 N 6.25 1.34 -3.44 2.92 2.07 -1.92 -0.18 116.25 123.29 1tuy h VAL 93 Ca -0.38 -1.15 -0.63 0.00 0.82 0.00 0.00 66.70 65.36 1tuy h VAL 93 Cb 1.13 2.10 -0.33 0.00 -1.52 0.00 0.00 31.29 32.67 1tuy h VAL 93 CO 0.39 0.29 -0.86 -2.28 0.02 0.00 0.00 177.57 175.13 1tuy s HIS 94 N -4.17 2.23 -0.10 1.57 2.46 -1.26 -3.43 115.29 112.58 1tuy s HIS 94 Ca -0.16 -0.87 0.01 0.00 0.47 0.00 0.00 55.06 54.52 1tuy s HIS 94 Cb 0.01 -1.51 -0.00 0.00 -0.13 0.00 0.00 32.58 30.95 1tuy s HIS 94 CO 0.66 -0.36 0.26 0.41 -2.47 0.00 0.00 174.74 173.24 1tuy n GLY 95 N 3.54 -0.06 0.00 1.59 0.00 -1.26 -4.76 105.19 104.23 1tuy n GLY 95 Ca -0.20 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1tuy n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tuy n GLY 96 N 0.63 -0.86 0.11 -0.02 0.00 -1.26 -3.53 105.19 100.26 1tuy n GLY 96 Ca 0.00 -1.68 0.15 0.00 0.00 0.00 0.00 46.02 44.49 1tuy n GLY 96 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1tuy n GLU 97 N -0.88 1.07 0.00 1.61 2.13 -1.26 -2.83 120.64 120.48 1tuy n GLU 97 Ca 0.00 -0.22 0.12 0.00 0.66 0.00 0.00 57.16 57.73 1tuy n GLU 97 Cb 0.00 -1.50 0.32 0.00 0.27 0.00 0.00 31.44 30.53 1tuy n GLU 97 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1tuy n LYS 98 N -0.78 0.27 -3.27 5.31 2.85 -1.26 -4.62 118.16 116.66 1tuy n LYS 98 Ca 0.21 -0.15 -0.07 0.00 -1.05 0.00 0.00 58.31 57.26 1tuy n LYS 98 Cb 0.18 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.03 1tuy n LYS 98 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1tuy s PHE 99 N -2.83 -1.13 -0.23 5.58 0.08 -1.13 -4.99 117.98 113.32 1tuy s PHE 99 Ca 0.16 -0.01 0.10 0.00 0.12 0.00 0.00 56.93 57.30 1tuy s PHE 99 Cb 0.18 -0.01 0.43 0.00 -0.57 0.00 0.00 43.02 43.05 1tuy s PHE 99 CO 0.63 -1.07 1.21 0.25 -0.10 0.00 0.00 175.22 176.15 1tuy n THR 100 N 4.63 2.26 -3.63 0.64 -2.24 -1.26 -4.17 114.28 110.51 1tuy n THR 100 Ca 0.09 -3.46 -0.11 0.00 -2.27 0.00 0.00 64.05 58.29 1tuy n THR 100 Cb 0.51 -0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.23 1tuy n THR 100 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1tuy s THR 101 N -3.54 0.00 0.31 4.28 -1.32 -1.26 -4.31 115.64 109.80 1tuy s THR 101 Ca 0.41 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.64 1tuy s THR 101 Cb 0.38 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 70.21 1tuy s THR 101 CO -0.04 0.00 0.43 -1.20 -2.21 0.00 0.00 174.62 171.60 1tuy n SER 102 N 2.75 -1.47 -3.49 8.08 7.64 -1.26 -4.87 113.62 121.00 1tuy n SER 102 Ca -0.14 1.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.61 1tuy n SER 102 Cb 0.56 -0.99 -0.04 0.00 -1.01 0.00 0.00 64.21 62.73 1tuy n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tuy s ALA 103 N -1.29 -1.75 0.45 -0.43 0.00 -0.33 -4.99 121.76 113.41 1tuy s ALA 103 Ca 0.62 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 53.38 1tuy s ALA 103 Cb -0.77 0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.53 1tuy s ALA 103 CO 0.59 -0.55 1.30 -1.17 0.00 0.00 0.00 175.76 175.93 1tuy s LEU 104 N -1.92 4.10 0.12 0.00 0.20 -1.26 -0.71 118.68 119.21 1tuy s LEU 104 Ca -0.03 2.64 -0.30 0.00 0.69 0.00 0.00 54.13 57.13 1tuy s LEU 104 Cb -0.01 -4.04 -0.06 0.00 -0.43 0.00 0.00 46.19 41.65 1tuy s LEU 104 CO -0.02 -1.03 1.10 -0.47 -0.29 0.00 0.00 176.35 175.64 1tuy s TYR 105 N -1.32 3.58 0.32 5.38 5.04 -0.01 -4.83 117.35 125.50 1tuy s TYR 105 Ca 0.61 1.55 -0.13 0.00 -2.44 0.00 0.00 57.07 56.66 1tuy s TYR 105 Cb -0.37 -3.28 0.02 0.00 0.35 0.00 0.00 41.96 38.68 1tuy s TYR 105 CO 0.47 -0.66 0.63 0.16 -1.34 0.00 0.00 175.55 174.80 1tuy s ASP 106 N 0.32 0.14 0.59 4.32 1.47 -1.26 -4.92 116.67 117.33 1tuy s ASP 106 Ca 0.52 -1.06 0.30 0.00 1.18 0.00 0.00 52.55 53.48 1tuy s ASP 106 Cb -0.28 0.72 1.77 0.00 -0.34 0.00 0.00 42.92 44.79 1tuy s ASP 106 CO 0.32 -1.40 2.19 -0.33 0.68 0.00 0.00 175.17 176.64 1tuy h GLU 107 N 2.09 0.00 -0.06 2.11 5.08 -1.99 -1.73 114.58 120.08 1tuy h GLU 107 Ca -0.27 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1tuy h GLU 107 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1tuy h GLU 107 CO 0.35 0.00 -0.21 0.78 -1.00 0.00 0.00 179.01 178.93 1tuy h GLY 108 N 0.00 0.28 1.06 -3.84 0.00 -1.98 -1.98 103.07 96.62 1tuy h GLY 108 Ca 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1tuy h GLY 108 CO -0.00 0.33 0.44 -2.08 0.00 0.00 0.00 176.54 175.24 1tuy h VAL 109 N -0.25 1.26 -0.69 4.60 2.07 -1.79 -1.88 116.25 119.56 1tuy h VAL 109 Ca -0.01 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1tuy h VAL 109 Cb 0.84 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1tuy h VAL 109 CO 0.05 0.30 0.27 -0.08 0.02 0.00 0.00 177.57 178.13 1tuy h GLU 110 N 1.21 1.02 -0.16 1.57 4.81 -1.30 -1.73 114.58 120.01 1tuy h GLU 110 Ca 0.30 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1tuy h GLU 110 Cb 0.07 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1tuy h GLU 110 CO -0.04 0.84 0.05 -0.22 -0.73 0.00 0.00 179.01 178.90 1tuy h LYS 111 N 1.00 0.25 -0.81 1.92 3.64 -0.70 -2.09 116.57 119.78 1tuy h LYS 111 Ca 0.23 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1tuy h LYS 111 Cb 0.20 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1tuy h LYS 111 CO -0.02 0.37 0.51 0.00 -2.27 0.00 0.00 179.45 178.04 1tuy h ALA 112 N 0.87 1.08 -0.35 5.00 0.00 -1.04 -1.63 119.26 123.19 1tuy h ALA 112 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1tuy h ALA 112 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1tuy h ALA 112 CO -0.00 0.31 -0.03 0.82 0.00 0.00 0.00 179.25 180.35 1tuy h ILE 113 N 0.98 1.27 -0.22 0.00 2.04 -1.24 -2.01 117.51 118.32 1tuy h ILE 113 Ca 0.33 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 1tuy h ILE 113 Cb 0.05 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1tuy h ILE 113 CO -0.13 0.34 0.06 0.11 0.00 0.00 0.00 178.15 178.54 1tuy h LYS 114 N 0.45 0.31 0.00 2.37 1.79 -1.04 -2.62 116.57 117.84 1tuy h LYS 114 Ca 0.10 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.45 1tuy h LYS 114 Cb 0.50 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1tuy h LYS 114 CO 0.02 0.29 -0.50 -0.44 -1.08 0.00 0.00 179.45 177.74 1tuy h ASP 115 N 0.31 0.00 -0.20 0.86 5.19 -1.05 -3.22 116.42 118.33 1tuy h ASP 115 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1tuy h ASP 115 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1tuy h ASP 115 CO -0.01 0.36 0.00 0.00 -3.12 0.00 0.00 179.24 176.48 1tuy h PHE 117 N 1.58 0.78 0.00 0.00 -1.00 -1.56 0.16 116.94 116.90 1tuy h PHE 117 Ca 0.00 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1tuy h PHE 117 Cb 0.35 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1tuy h PHE 117 CO 0.13 0.15 0.00 -0.85 -1.61 0.00 0.00 178.31 176.13 1tuy n GLU 118 N -4.89 0.06 0.00 1.51 0.28 -1.26 -1.03 120.64 115.31 1tuy n GLU 118 Ca 0.19 0.28 0.11 0.00 -0.16 0.00 0.00 57.16 57.57 1tuy n GLU 118 Cb 0.48 -1.61 -0.03 0.00 1.43 0.00 0.00 31.44 31.71 1tuy n GLU 118 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1tuy n LEU 119 N -1.72 1.22 -2.79 -1.84 4.77 0.51 -4.53 117.00 112.63 1tuy n LEU 119 Ca 0.03 -0.51 -0.10 0.00 -0.03 0.00 0.00 56.01 55.40 1tuy n LEU 119 Cb 0.21 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1tuy n LEU 119 CO 0.17 0.27 0.26 0.00 -1.33 0.00 0.00 177.39 176.76 1tuy n ALA 120 N -1.08 0.34 -0.18 -1.18 0.00 -0.83 -4.16 120.51 113.41 1tuy n ALA 120 Ca 0.06 -1.83 0.23 0.00 0.00 0.00 0.00 53.44 51.90 1tuy n ALA 120 Cb 0.37 -1.08 0.62 0.00 0.00 0.00 0.00 19.45 19.36 1tuy n ALA 120 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1tuy h PRO 121 N 2.78 0.19 0.00 0.00 0.13 -1.32 -1.11 132.00 132.67 1tuy h PRO 121 Ca -0.11 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.94 1tuy h PRO 121 Cb 1.13 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1tuy h PRO 121 CO 0.17 0.12 -0.52 -0.07 -0.23 0.00 0.00 178.00 177.48 1tuy h LEU 122 N 0.19 0.00 0.00 1.56 3.38 -1.95 -3.41 115.31 115.08 1tuy h LEU 122 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1tuy h LEU 122 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1tuy h LEU 122 CO -0.08 0.33 -0.38 1.41 0.09 0.00 0.00 178.44 179.80 1tuy n HIS 123 N -3.10 0.00 -0.29 1.13 8.25 -0.51 -4.62 115.22 116.07 1tuy n HIS 123 Ca 0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.50 1tuy n HIS 123 Cb 0.68 -0.19 0.11 0.00 1.12 0.00 0.00 29.99 31.70 1tuy n HIS 123 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1tuy h ASN 124 N -0.38 -0.76 -0.12 0.41 4.21 -1.60 0.00 115.58 117.34 1tuy h ASN 124 Ca 0.00 0.25 0.04 0.00 1.21 0.00 0.00 56.30 57.80 1tuy h ASN 124 Cb 0.38 0.51 -0.05 0.00 -1.12 0.00 0.00 38.32 38.04 1tuy h ASN 124 CO 0.00 -0.27 -0.23 -0.65 -1.29 0.00 0.00 177.43 174.99 1tuy h PRO 125 N 0.00 -0.29 -0.30 0.81 0.11 -1.79 -0.40 132.00 130.14 1tuy h PRO 125 Ca 0.40 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.48 1tuy h PRO 125 Cb 0.61 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 1tuy h PRO 125 CO -0.85 -0.19 -0.04 -1.35 -0.21 0.00 0.00 178.00 175.36 1tuy h PRO 126 N -0.30 0.47 -0.50 1.05 0.11 -1.47 -2.46 132.00 128.91 1tuy h PRO 126 Ca 0.10 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1tuy h PRO 126 Cb 0.44 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1tuy h PRO 126 CO -0.29 0.53 0.08 -0.91 -0.21 0.00 0.00 178.00 177.20 1tuy h ASN 127 N 0.45 0.73 -0.60 -2.05 2.35 -0.35 -2.26 115.58 113.85 1tuy h ASN 127 Ca 0.09 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1tuy h ASN 127 Cb 0.36 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1tuy h ASN 127 CO 0.02 0.75 0.04 -0.03 -1.65 0.00 0.00 177.43 176.56 1tuy h MET 128 N 0.75 1.05 -0.19 0.81 4.05 -0.65 -2.32 114.93 118.42 1tuy h MET 128 Ca 0.16 -0.30 0.03 0.00 -0.28 0.00 0.00 59.70 59.30 1tuy h MET 128 Cb 0.34 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1tuy h MET 128 CO 0.01 0.99 0.13 0.52 0.23 0.00 0.00 176.91 178.79 1tuy h MET 129 N 0.97 0.14 0.15 0.39 2.86 -1.00 -0.47 114.93 117.96 1tuy h MET 129 Ca 0.18 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1tuy h MET 129 Cb 0.50 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1tuy h MET 129 CO 0.02 0.09 -0.07 0.78 1.06 0.00 0.00 176.91 178.79 1tuy h GLY 130 N 0.14 -0.21 0.52 8.32 0.00 -1.18 -1.52 103.07 109.15 1tuy h GLY 130 Ca 0.08 0.08 0.17 0.00 0.00 0.00 0.00 47.33 47.65 1tuy h GLY 130 CO -0.01 -0.08 0.55 -2.22 0.00 0.00 0.00 176.54 174.78 1tuy h ILE 131 N -0.72 0.76 0.07 2.60 2.04 -1.05 0.95 117.51 122.17 1tuy h ILE 131 Ca -0.02 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1tuy h ILE 131 Cb 0.51 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1tuy h ILE 131 CO 0.03 0.09 -0.03 0.28 0.00 0.00 0.00 178.15 178.52 1tuy h SER 132 N 0.48 -0.08 -0.96 1.72 0.02 -1.04 -1.66 113.55 112.04 1tuy h SER 132 Ca 0.42 -0.42 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1tuy h SER 132 Cb 0.92 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.42 1tuy h SER 132 CO -0.16 0.39 0.63 0.00 -1.14 0.00 0.00 176.83 176.55 1tuy h ALA 133 N 0.30 1.42 -0.44 3.77 0.00 -0.67 -1.16 119.26 122.48 1tuy h ALA 133 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1tuy h ALA 133 Cb 0.49 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1tuy h ALA 133 CO 0.02 0.46 0.06 0.00 0.00 0.00 0.00 179.25 179.78 1tuy h ALA 135 N 1.41 1.00 0.00 0.00 0.00 -0.23 -2.42 119.26 119.02 1tuy h ALA 135 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1tuy h ALA 135 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1tuy h ALA 135 CO 0.01 0.00 -1.46 0.39 0.00 0.00 0.00 179.25 178.19 1tuy n GLU 136 N -2.72 0.62 -0.09 0.00 1.02 -0.89 -3.46 120.64 115.12 1tuy n GLU 136 Ca 0.03 0.18 -0.22 0.00 -0.02 0.00 0.00 57.16 57.13 1tuy n GLU 136 Cb 0.37 -1.78 -0.12 0.00 -0.02 0.00 0.00 31.44 29.89 1tuy n GLU 136 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1tuy n ILE 137 N -2.83 1.59 -3.11 -3.67 2.08 -0.95 -4.69 119.36 107.78 1tuy n ILE 137 Ca -0.10 -0.48 -0.25 0.00 0.56 0.00 0.00 62.75 62.49 1tuy n ILE 137 Cb 0.81 -1.70 -0.05 0.00 -0.75 0.00 0.00 39.64 37.96 1tuy n ILE 137 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 1tuy n MET 138 N -3.69 2.32 -0.17 0.38 0.00 -0.91 -4.93 117.12 110.12 1tuy n MET 138 Ca -0.41 -4.31 0.22 0.00 0.00 0.00 0.00 57.70 53.19 1tuy n MET 138 Cb 0.94 -2.02 0.61 0.00 0.00 0.00 0.00 33.22 32.76 1tuy n MET 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1tuy h PRO 139 N 3.29 0.19 -0.01 3.17 0.11 -1.72 0.13 132.00 137.17 1tuy h PRO 139 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1tuy h PRO 139 Cb 0.68 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1tuy h PRO 139 CO 0.71 0.13 -0.02 0.41 -0.21 0.00 0.00 178.00 179.02 1tuy n GLY 140 N -1.60 -0.42 3.75 -0.55 0.00 -1.26 -4.88 105.19 100.22 1tuy n GLY 140 Ca 0.17 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1tuy n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tuy s THR 141 N -2.05 5.22 0.52 2.61 2.01 0.03 -5.06 115.64 118.92 1tuy s THR 141 Ca 0.40 0.74 -0.23 0.00 0.31 0.00 0.00 61.69 62.91 1tuy s THR 141 Cb 0.21 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 1tuy s THR 141 CO 0.36 0.41 1.40 -2.84 -0.69 0.00 0.00 174.62 173.26 1tuy s PRO 142 N 0.20 3.31 -0.05 4.92 0.02 -1.26 -4.85 135.00 137.29 1tuy s PRO 142 Ca 0.21 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.59 1tuy s PRO 142 Cb -0.14 -2.40 0.01 0.00 0.02 0.00 0.00 34.50 31.99 1tuy s PRO 142 CO 0.08 -1.09 -0.09 -1.64 -0.33 0.00 0.00 177.00 173.93 1tuy s MET 143 N -2.75 1.20 -0.04 5.54 -1.94 -1.26 -1.21 119.30 118.84 1tuy s MET 143 Ca 0.68 -0.28 0.06 0.00 -1.71 0.00 0.00 55.69 54.44 1tuy s MET 143 Cb -0.42 -1.07 -0.02 0.00 2.01 0.00 0.00 34.83 35.33 1tuy s MET 143 CO 0.52 0.02 -0.22 0.08 -0.01 0.00 0.00 175.02 175.41 1tuy s VAL 144 N 0.59 2.36 -0.11 -6.03 1.01 -0.44 -0.83 120.40 116.95 1tuy s VAL 144 Ca -0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1tuy s VAL 144 Cb -0.13 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1tuy s VAL 144 CO 0.02 0.58 -0.05 -0.63 0.00 0.00 0.00 175.10 175.02 1tuy s ILE 145 N -0.56 3.85 -0.10 2.22 1.09 0.11 -1.17 121.20 126.64 1tuy s ILE 145 Ca 0.08 -0.40 0.02 0.00 -1.10 0.00 0.00 60.65 59.25 1tuy s ILE 145 Cb -0.11 -2.63 -0.01 0.00 -1.06 0.00 0.00 42.46 38.65 1tuy s ILE 145 CO 0.00 0.55 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.52 1tuy s VAL 146 N -0.28 2.58 -0.07 2.92 1.01 -0.64 -1.19 120.40 124.73 1tuy s VAL 146 Ca 0.04 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1tuy s VAL 146 Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1tuy s VAL 146 CO 0.02 0.55 0.13 -0.36 0.00 0.00 0.00 175.10 175.44 1tuy s PHE 147 N 0.21 3.50 -0.05 5.22 0.08 -1.26 -1.48 117.98 124.20 1tuy s PHE 147 Ca -0.11 0.41 0.30 0.00 0.12 0.00 0.00 56.93 57.64 1tuy s PHE 147 Cb -0.16 -1.87 1.38 0.00 -0.57 0.00 0.00 43.02 41.80 1tuy s PHE 147 CO 0.06 0.66 1.90 -0.44 -0.10 0.00 0.00 175.22 177.31 1tuy h ASP 148 N 4.56 0.00 0.67 1.36 5.19 -1.04 -3.06 116.42 124.09 1tuy h ASP 148 Ca -0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1tuy h ASP 148 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1tuy h ASP 148 CO 0.61 0.00 -0.91 0.35 -3.12 0.00 0.00 179.24 176.17 1tuy n THR 149 N -2.67 0.30 -0.03 0.35 -2.24 -1.24 -1.94 114.28 106.81 1tuy n THR 149 Ca 0.00 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.37 1tuy n THR 149 Cb 0.20 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 1tuy n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tuy h ALA 150 N 2.43 -0.33 -0.47 6.98 0.00 -1.72 -2.87 119.26 123.28 1tuy h ALA 150 Ca 0.00 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.09 1tuy h ALA 150 Cb 0.79 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1tuy h ALA 150 CO 0.00 -0.78 0.36 0.35 0.00 0.00 0.00 179.25 179.18 1tuy h PHE 151 N -0.36 0.00 -0.02 0.00 3.57 -1.82 -1.10 116.94 117.22 1tuy h PHE 151 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1tuy h PHE 151 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1tuy h PHE 151 CO -0.44 0.00 -0.01 0.72 -2.23 0.00 0.00 178.31 176.35 1tuy n HIS 152 N -4.29 0.00 0.28 0.41 -0.00 -1.09 -4.08 115.22 106.46 1tuy n HIS 152 Ca 0.08 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.95 1tuy n HIS 152 Cb 0.56 -0.00 0.81 0.00 -0.00 0.00 0.00 29.99 31.36 1tuy n HIS 152 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1tuy h GLN 153 N 3.05 0.00 -0.14 -0.41 1.08 -1.18 -1.10 115.11 116.42 1tuy h GLN 153 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1tuy h GLN 153 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1tuy h GLN 153 CO 0.00 0.00 0.00 0.25 -0.95 0.00 0.00 178.83 178.13 1tuy n THR 154 N -2.69 0.18 -2.02 -0.54 -2.24 -1.26 -4.91 114.28 100.79 1tuy n THR 154 Ca -0.02 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 1tuy n THR 154 Cb 0.24 0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 1tuy n THR 154 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1tuy s MET 155 N -1.82 4.28 0.75 -0.78 -1.94 -0.42 -4.78 119.30 114.60 1tuy s MET 155 Ca 0.28 2.32 -0.12 0.00 -1.71 0.00 0.00 55.69 56.46 1tuy s MET 155 Cb 0.15 -3.05 0.04 0.00 2.01 0.00 0.00 34.83 33.98 1tuy s MET 155 CO 0.22 -0.31 1.10 -1.25 -0.01 0.00 0.00 175.02 174.77 1tuy s PRO 156 N -1.66 2.36 0.40 2.03 0.04 -1.26 -4.79 135.00 132.12 1tuy s PRO 156 Ca 0.51 1.24 0.10 0.00 0.04 0.00 0.00 61.00 62.89 1tuy s PRO 156 Cb -0.42 -1.91 0.89 0.00 0.04 0.00 0.00 34.50 33.10 1tuy s PRO 156 CO 0.54 -1.57 1.96 -1.35 0.04 0.00 0.00 177.00 176.62 1tuy h PRO 157 N -0.85 0.56 0.00 0.56 0.11 -1.98 -0.88 132.00 129.52 1tuy h PRO 157 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1tuy h PRO 157 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1tuy h PRO 157 CO 0.52 0.37 0.00 2.48 -0.21 0.00 0.00 178.00 181.16 1tuy n TYR 158 N -4.48 0.00 -0.02 0.65 0.18 -1.26 -2.37 117.16 109.85 1tuy n TYR 158 Ca 0.11 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.84 1tuy n TYR 158 Cb 0.31 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.25 1tuy n TYR 158 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1tuy n ALA 159 N -0.64 2.21 1.43 -3.48 0.00 -0.38 -4.69 120.51 114.95 1tuy n ALA 159 Ca 0.06 -0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.44 1tuy n ALA 159 Cb 0.03 0.41 0.60 0.00 0.00 0.00 0.00 19.45 20.49 1tuy n ALA 159 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1tuy n TYR 160 N -2.87 0.00 -3.22 0.00 0.18 -0.93 -4.77 117.16 105.54 1tuy n TYR 160 Ca -0.09 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.32 1tuy n TYR 160 Cb 0.58 -0.16 -0.06 0.00 -0.38 0.00 0.00 39.34 39.32 1tuy n TYR 160 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1tuy s MET 161 N -2.42 4.19 0.14 -3.48 -1.94 -1.00 0.32 119.30 115.11 1tuy s MET 161 Ca 0.30 0.75 0.04 0.00 -1.71 0.00 0.00 55.69 55.06 1tuy s MET 161 Cb 0.20 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.93 1tuy s MET 161 CO 0.46 0.53 0.19 0.71 -0.01 0.00 0.00 175.02 176.90 1tuy s TYR 162 N -1.30 3.30 -1.31 -0.03 2.02 -1.26 -4.90 117.35 113.86 1tuy s TYR 162 Ca 0.35 0.06 -0.13 0.00 -0.37 0.00 0.00 57.07 56.98 1tuy s TYR 162 Cb -0.18 -1.60 0.12 0.00 -0.40 0.00 0.00 41.96 39.90 1tuy s TYR 162 CO 0.20 0.52 1.83 0.00 -1.57 0.00 0.00 175.55 176.54 1tuy n ALA 163 N -0.28 4.71 -2.43 3.71 0.00 -1.26 -4.89 120.51 120.07 1tuy n ALA 163 Ca -0.08 -4.10 -0.22 0.00 0.00 0.00 0.00 53.44 49.04 1tuy n ALA 163 Cb 0.54 -3.26 -0.09 0.00 0.00 0.00 0.00 19.45 16.64 1tuy n ALA 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1tuy s LEU 164 N 1.68 1.91 -0.22 0.00 1.43 -1.26 -5.08 118.68 117.15 1tuy s LEU 164 Ca 0.45 -1.55 -0.33 0.00 -1.03 0.00 0.00 54.13 51.67 1tuy s LEU 164 Cb 0.07 -0.07 -0.10 0.00 0.03 0.00 0.00 46.19 46.11 1tuy s LEU 164 CO -0.00 -0.83 2.07 -2.65 0.23 0.00 0.00 176.35 175.16 1tuy n PRO 165 N -0.73 1.69 -0.39 1.29 -0.02 -1.26 -4.81 135.00 130.77 1tuy n PRO 165 Ca -0.03 0.54 0.31 0.00 -2.02 0.00 0.00 63.50 62.30 1tuy n PRO 165 Cb 0.65 -2.69 0.60 0.00 -0.02 0.00 0.00 33.50 32.04 1tuy n PRO 165 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1tuy h TYR 166 N 11.59 0.54 0.00 6.00 5.03 -1.98 0.31 116.97 138.46 1tuy h TYR 166 Ca -0.39 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 60.94 1tuy h TYR 166 Cb 1.28 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 39.42 1tuy h TYR 166 CO 0.92 -0.08 -0.01 0.38 -1.32 0.00 0.00 178.16 178.06 1tuy h ASP 167 N 0.21 0.00 0.87 -2.11 2.03 -2.00 0.17 116.42 115.59 1tuy h ASP 167 Ca 0.71 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 57.00 1tuy h ASP 167 Cb 2.11 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.61 1tuy h ASP 167 CO -0.34 0.01 -0.05 -0.07 -1.03 0.00 0.00 179.24 177.76 1tuy h LEU 168 N 0.00 0.00 0.14 0.15 3.38 -0.72 0.87 115.31 119.12 1tuy h LEU 168 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1tuy h LEU 168 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1tuy h LEU 168 CO 0.00 0.05 -1.26 0.22 0.09 0.00 0.00 178.44 177.54 1tuy h TYR 169 N 0.00 0.54 0.07 1.13 3.20 -0.78 -2.50 116.97 118.64 1tuy h TYR 169 Ca -0.00 -0.40 -0.31 0.00 3.14 0.00 0.00 58.73 61.17 1tuy h TYR 169 Cb 0.51 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1tuy h TYR 169 CO 0.00 1.31 -1.63 0.93 -1.64 0.00 0.00 178.16 177.12 1tuy h GLU 170 N 0.08 0.16 0.10 1.82 5.08 -1.40 -2.75 114.58 117.66 1tuy h GLU 170 Ca -0.15 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1tuy h GLU 170 Cb 1.99 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.34 1tuy h GLU 170 CO 0.21 0.93 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.89 1tuy h LYS 171 N 0.04 -0.13 -0.17 2.33 3.64 0.65 -3.39 116.57 119.55 1tuy h LYS 171 Ca -0.27 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1tuy h LYS 171 Cb 2.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.85 1tuy h LYS 171 CO 0.12 0.38 0.00 0.72 -2.27 0.00 0.00 179.45 178.40 1tuy n HIS 172 N -4.85 0.23 -3.44 1.91 8.25 -0.95 -5.01 115.22 111.36 1tuy n HIS 172 Ca -0.08 -0.41 -0.20 0.00 -0.26 0.00 0.00 57.72 56.77 1tuy n HIS 172 Cb 0.28 -0.03 0.07 0.00 1.12 0.00 0.00 29.99 31.43 1tuy n HIS 172 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tuy n GLY 173 N 0.16 -0.34 3.62 -1.41 0.00 -1.04 -4.97 105.19 101.22 1tuy n GLY 173 Ca 0.06 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1tuy n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tuy s VAL 174 N -3.28 4.66 0.21 1.61 1.01 -1.19 -4.99 120.40 118.44 1tuy s VAL 174 Ca 0.49 1.35 -0.23 0.00 0.00 0.00 0.00 61.98 63.60 1tuy s VAL 174 Cb -0.22 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.94 1tuy s VAL 174 CO 0.63 -0.39 0.75 0.00 0.00 0.00 0.00 175.10 176.09 1tuy s ARG 175 N 3.28 1.50 0.26 2.72 1.70 -1.26 -4.56 118.95 122.60 1tuy s ARG 175 Ca 0.38 -0.77 -0.30 0.00 -0.47 0.00 0.00 55.73 54.57 1tuy s ARG 175 Cb -0.13 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.71 1tuy s ARG 175 CO 0.15 -0.68 1.08 0.21 -1.08 0.00 0.00 175.30 174.98 1tuy s LYS 176 N -3.71 4.66 -0.06 3.89 2.20 0.15 -3.52 119.74 123.35 1tuy s LYS 176 Ca 0.09 1.76 -0.02 0.00 -0.36 0.00 0.00 55.97 57.43 1tuy s LYS 176 Cb -0.04 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 1tuy s LYS 176 CO 0.01 0.23 -0.08 0.66 -0.36 0.00 0.00 175.35 175.81 1tuy n TYR 177 N 1.36 0.00 0.00 4.03 4.01 -0.76 -4.80 117.16 121.00 1tuy n TYR 177 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1tuy n TYR 177 Cb 0.45 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1tuy n TYR 177 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tuy n GLY 178 N 2.75 -1.84 0.72 2.72 0.00 -1.14 -4.61 105.19 103.79 1tuy n GLY 178 Ca -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 46.02 44.34 1tuy n GLY 178 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tuy n PHE 179 N -1.41 -0.50 -1.91 1.61 3.72 -1.26 -4.15 117.46 113.57 1tuy n PHE 179 Ca 0.00 -0.55 -0.18 0.00 -0.05 0.00 0.00 57.45 56.67 1tuy n PHE 179 Cb 0.00 0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 1tuy n PHE 179 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1tuy n HIS 180 N -0.13 -0.55 0.02 1.38 8.25 -1.24 -4.87 115.22 118.08 1tuy n HIS 180 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1tuy n HIS 180 Cb 0.13 -3.39 -0.04 0.00 1.12 0.00 0.00 29.99 27.82 1tuy n HIS 180 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1tuy h GLY 181 N 0.00 -0.17 -0.05 -1.41 0.00 -1.70 -0.77 103.07 98.97 1tuy h GLY 181 Ca -0.40 0.22 0.15 0.00 0.00 0.00 0.00 47.33 47.29 1tuy h GLY 181 CO 0.54 -0.17 0.14 -0.84 0.00 0.00 0.00 176.54 176.21 1tuy h THR 182 N -0.25 0.52 0.38 4.70 2.02 -1.83 0.93 112.91 119.38 1tuy h THR 182 Ca 0.08 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1tuy h THR 182 Cb 0.37 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1tuy h THR 182 CO -0.23 0.04 -0.18 -1.28 0.37 0.00 0.00 175.52 174.24 1tuy h SER 183 N 0.24 -0.43 -0.74 4.18 0.87 -1.81 -2.30 113.55 113.55 1tuy h SER 183 Ca 0.39 -0.10 0.13 0.00 -1.23 0.00 0.00 61.79 60.98 1tuy h SER 183 Cb 0.65 0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 62.63 1tuy h SER 183 CO -0.51 -0.14 0.31 0.45 -0.53 0.00 0.00 176.83 176.41 1tuy h HIS 184 N -0.73 0.53 -0.05 2.24 -0.00 -0.55 -2.21 115.15 114.38 1tuy h HIS 184 Ca -0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1tuy h HIS 184 Cb 0.51 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.79 1tuy h HIS 184 CO -0.00 0.09 0.01 -0.22 -0.00 0.00 0.00 177.93 177.82 1tuy h LYS 185 N 0.47 0.07 0.19 2.45 3.64 -0.83 -2.42 116.57 120.14 1tuy h LYS 185 Ca 0.40 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1tuy h LYS 185 Cb 0.57 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1tuy h LYS 185 CO -0.37 0.26 -0.28 -0.92 -2.27 0.00 0.00 179.45 175.87 1tuy h TYR 186 N -0.13 -0.80 0.00 1.91 3.20 -0.82 -1.63 116.97 118.69 1tuy h TYR 186 Ca 0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1tuy h TYR 186 Cb 0.22 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1tuy h TYR 186 CO -0.00 -0.35 0.14 -0.39 -1.64 0.00 0.00 178.16 175.92 1tuy h VAL 187 N -0.50 0.00 -0.04 1.81 -1.51 -1.54 0.61 116.25 115.08 1tuy h VAL 187 Ca -0.02 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.31 1tuy h VAL 187 Cb 0.46 0.73 0.01 0.00 -2.13 0.00 0.00 31.29 30.36 1tuy h VAL 187 CO -0.09 0.00 -0.53 0.00 -1.23 0.00 0.00 177.57 175.73 1tuy h ALA 188 N 1.69 0.11 -0.34 5.19 0.00 -0.80 -1.38 119.26 123.74 1tuy h ALA 188 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1tuy h ALA 188 Cb 0.29 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1tuy h ALA 188 CO 0.00 0.33 0.21 0.93 0.00 0.00 0.00 179.25 180.72 1tuy h GLU 189 N -0.06 0.42 -0.90 0.00 5.08 -0.14 -1.77 114.58 117.21 1tuy h GLU 189 Ca -0.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1tuy h GLU 189 Cb 1.22 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1tuy h GLU 189 CO 0.11 0.28 0.56 0.00 -1.00 0.00 0.00 179.01 178.95 1tuy h ARG 190 N 0.43 1.21 -0.26 2.33 2.47 -1.40 -1.78 114.38 117.38 1tuy h ARG 190 Ca 0.13 -0.10 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 1tuy h ARG 190 Cb -0.03 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.02 1tuy h ARG 190 CO -0.04 0.84 -0.02 0.00 0.56 0.00 0.00 179.97 181.30 1tuy h ALA 191 N 1.38 1.49 -0.33 0.04 0.00 -0.43 -1.33 119.26 120.08 1tuy h ALA 191 Ca 0.33 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1tuy h ALA 191 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1tuy h ALA 191 CO -0.06 0.37 -0.03 0.00 0.00 0.00 0.00 179.25 179.52 1tuy h ALA 192 N 1.61 0.45 -0.43 0.00 0.00 -0.56 -2.09 119.26 118.23 1tuy h ALA 192 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1tuy h ALA 192 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1tuy h ALA 192 CO 0.01 0.24 0.28 -0.07 0.00 0.00 0.00 179.25 179.71 1tuy h LEU 193 N 0.40 0.50 -2.05 0.00 4.07 -0.85 0.20 115.31 117.58 1tuy h LEU 193 Ca 0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1tuy h LEU 193 Cb 0.50 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 1tuy h LEU 193 CO 0.02 0.38 -0.09 0.24 -1.08 0.00 0.00 178.44 177.92 1tuy h MET 194 N 0.58 0.00 0.00 1.13 2.86 -1.21 0.69 114.93 118.98 1tuy h MET 194 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1tuy h MET 194 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1tuy h MET 194 CO -0.03 0.09 -0.68 -0.07 1.06 0.00 0.00 176.91 177.27 1tuy h LEU 195 N 0.00 0.00 1.80 1.22 3.38 -0.53 -3.48 115.31 117.70 1tuy h LEU 195 Ca -0.00 -0.19 -0.38 0.00 0.09 0.00 0.00 57.88 57.40 1tuy h LEU 195 Cb 0.27 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.04 1tuy h LEU 195 CO 0.01 0.09 -0.53 0.61 0.09 0.00 0.00 178.44 178.72 1tuy n GLY 196 N 1.31 -0.43 3.21 0.83 0.00 0.59 -4.99 105.19 105.71 1tuy n GLY 196 Ca 0.03 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1tuy n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tuy s LYS 197 N -5.29 0.92 0.26 1.61 -0.14 -1.05 -5.04 119.74 111.01 1tuy s LYS 197 Ca 0.14 -1.13 -0.30 0.00 -1.36 0.00 0.00 55.97 53.32 1tuy s LYS 197 Cb -0.06 -0.80 -0.10 0.00 -1.68 0.00 0.00 37.83 35.19 1tuy s LYS 197 CO 0.17 0.16 1.41 -2.14 -0.76 0.00 0.00 175.35 174.19 1tuy s PRO 198 N -2.40 4.29 0.27 -1.68 0.02 -1.26 -4.52 135.00 129.71 1tuy s PRO 198 Ca 0.05 2.27 -0.04 0.00 0.02 0.00 0.00 61.00 63.30 1tuy s PRO 198 Cb -0.06 -3.11 0.56 0.00 0.02 0.00 0.00 34.50 31.91 1tuy s PRO 198 CO 0.02 -0.38 1.61 0.00 -0.33 0.00 0.00 177.00 177.93 1tuy h ALA 199 N 4.81 0.94 0.00 -1.55 0.00 -1.93 0.79 119.26 122.31 1tuy h ALA 199 Ca -0.46 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1tuy h ALA 199 Cb 1.22 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1tuy h ALA 199 CO 0.76 -0.47 0.00 0.39 0.00 0.00 0.00 179.25 179.93 1tuy n GLU 200 N -5.40 0.00 -0.49 0.00 4.71 -1.26 -1.29 120.64 116.91 1tuy n GLU 200 Ca 0.17 0.28 0.05 0.00 -0.01 0.00 0.00 57.16 57.66 1tuy n GLU 200 Cb 0.58 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.71 1tuy n GLU 200 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1tuy n GLU 201 N -1.28 1.64 -4.35 3.49 1.02 0.27 -4.55 120.64 116.88 1tuy n GLU 201 Ca 0.00 -3.07 -0.18 0.00 -0.02 0.00 0.00 57.16 53.89 1tuy n GLU 201 Cb 0.00 -1.64 -0.10 0.00 -0.02 0.00 0.00 31.44 29.68 1tuy n GLU 201 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1tuy s THR 202 N -3.12 1.59 -0.24 2.62 -4.23 -0.41 -4.87 115.64 106.97 1tuy s THR 202 Ca 0.38 -2.16 -0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1tuy s THR 202 Cb 0.35 -2.14 0.08 0.00 1.34 0.00 0.00 72.50 72.13 1tuy s THR 202 CO -0.02 -0.52 0.08 -0.54 -0.54 0.00 0.00 174.62 173.07 1tuy s LYS 203 N -3.69 0.46 0.15 3.99 1.02 -1.26 0.08 119.74 120.49 1tuy s LYS 203 Ca 0.24 -0.54 0.09 0.00 0.02 0.00 0.00 55.97 55.78 1tuy s LYS 203 Cb 0.01 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.47 1tuy s LYS 203 CO 0.07 -0.81 -0.14 0.42 -0.92 0.00 0.00 175.35 173.97 1tuy s ILE 204 N 1.91 3.00 -0.38 2.17 -1.09 -0.06 0.45 121.20 127.19 1tuy s ILE 204 Ca 0.04 -1.59 -0.01 0.00 -2.23 0.00 0.00 60.65 56.86 1tuy s ILE 204 Cb -0.17 -2.43 0.10 0.00 -1.58 0.00 0.00 42.46 38.39 1tuy s ILE 204 CO -0.19 -0.00 0.15 -0.63 -1.23 0.00 0.00 174.94 173.03 1tuy s ILE 205 N -1.43 2.98 -0.12 2.92 -1.09 -0.08 -1.36 121.20 123.03 1tuy s ILE 205 Ca 0.21 -2.09 -0.19 0.00 -2.23 0.00 0.00 60.65 56.35 1tuy s ILE 205 Cb -0.10 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 1tuy s ILE 205 CO 0.13 -0.63 0.50 0.42 -1.23 0.00 0.00 174.94 174.12 1tuy s THR 206 N 1.08 5.18 -0.28 2.92 -4.23 -0.72 0.13 115.64 119.72 1tuy s THR 206 Ca 0.08 0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 61.58 1tuy s THR 206 Cb -0.22 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 69.84 1tuy s THR 206 CO -0.05 0.32 -0.04 0.00 -0.54 0.00 0.00 174.62 174.30 1tuy s HIS 208 N 1.23 3.39 -0.35 0.00 2.46 0.33 -1.70 115.29 120.65 1tuy s HIS 208 Ca -0.05 -1.54 -0.13 0.00 0.47 0.00 0.00 55.06 53.81 1tuy s HIS 208 Cb -0.19 -3.76 -0.01 0.00 -0.13 0.00 0.00 32.58 28.48 1tuy s HIS 208 CO -0.03 -1.01 0.24 -0.51 -2.47 0.00 0.00 174.74 170.97 1tuy s LEU 209 N 1.20 4.58 0.00 8.88 1.43 -0.89 -1.15 118.68 132.74 1tuy s LEU 209 Ca 0.07 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1tuy s LEU 209 Cb -0.25 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.84 1tuy s LEU 209 CO -0.00 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.92 1tuy n GLY 210 N 5.10 3.92 0.37 -3.19 0.00 -1.26 -1.19 105.19 108.94 1tuy n GLY 210 Ca -0.12 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.25 1tuy n GLY 210 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1tuy h ASN 211 N 0.00 0.44 -3.52 1.61 -0.73 -1.95 -3.35 115.58 108.08 1tuy h ASN 211 Ca 0.00 0.02 -0.65 0.00 1.87 0.00 0.00 56.30 57.54 1tuy h ASN 211 Cb 0.00 -0.07 -0.33 0.00 0.27 0.00 0.00 38.32 38.19 1tuy h ASN 211 CO 0.00 0.24 -0.87 -0.83 -0.37 0.00 0.00 177.43 175.61 1tuy s GLY 212 N -3.76 1.22 0.10 1.57 0.00 -1.26 -2.76 107.32 102.43 1tuy s GLY 212 Ca -0.08 -0.89 0.08 0.00 0.00 0.00 0.00 44.72 43.82 1tuy s GLY 212 CO 0.77 -0.33 -0.14 -0.56 0.00 0.00 0.00 173.10 172.83 1tuy s SER 213 N 0.26 4.15 -0.20 1.64 0.01 -1.26 -4.62 113.70 113.68 1tuy s SER 213 Ca -0.14 -0.45 -0.27 0.00 1.31 0.00 0.00 55.95 56.39 1tuy s SER 213 Cb -0.16 -0.71 0.07 0.00 0.21 0.00 0.00 66.02 65.43 1tuy s SER 213 CO 0.07 0.19 0.73 -0.94 0.41 0.00 0.00 173.24 173.70 1tuy s SER 214 N -2.09 -0.70 0.06 2.44 1.04 -0.30 -4.64 113.70 109.51 1tuy s SER 214 Ca 0.19 1.17 0.09 0.00 0.48 0.00 0.00 55.95 57.88 1tuy s SER 214 Cb -0.11 1.12 -0.03 0.00 0.10 0.00 0.00 66.02 67.10 1tuy s SER 214 CO 0.11 -0.36 -0.23 -0.63 0.98 0.00 0.00 173.24 173.12 1tuy s ILE 215 N -0.14 2.44 0.03 -1.02 1.01 -1.26 -0.51 121.20 121.75 1tuy s ILE 215 Ca -0.03 -1.38 0.04 0.00 0.00 0.00 0.00 60.65 59.27 1tuy s ILE 215 Cb -0.03 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1tuy s ILE 215 CO 0.03 0.29 -0.12 -0.89 0.00 0.00 0.00 174.94 174.26 1tuy s THR 216 N -0.91 0.92 -0.43 2.92 2.01 0.06 -0.65 115.64 119.55 1tuy s THR 216 Ca 0.14 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 1tuy s THR 216 Cb -0.10 -0.85 0.07 0.00 0.01 0.00 0.00 72.50 71.63 1tuy s THR 216 CO 0.04 -0.04 0.31 0.00 -0.69 0.00 0.00 174.62 174.24 1tuy s ALA 217 N -0.83 3.39 -0.23 7.40 0.00 0.11 -1.75 121.76 129.86 1tuy s ALA 217 Ca -0.00 -2.09 -0.09 0.00 0.00 0.00 0.00 51.96 49.78 1tuy s ALA 217 Cb -0.07 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1tuy s ALA 217 CO 0.01 -1.65 0.12 0.08 0.00 0.00 0.00 175.76 174.31 1tuy s VAL 218 N 1.52 5.00 -0.23 0.00 1.01 -0.47 -1.26 120.40 125.97 1tuy s VAL 218 Ca 0.03 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1tuy s VAL 218 Cb -0.23 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 32.88 1tuy s VAL 218 CO 0.04 0.38 -0.13 -0.70 0.00 0.00 0.00 175.10 174.69 1tuy s GLU 219 N 0.97 2.58 -1.14 2.72 2.12 0.66 -0.88 118.70 125.73 1tuy s GLU 219 Ca 0.06 -1.12 -0.04 0.00 0.36 0.00 0.00 54.97 54.22 1tuy s GLU 219 Cb -0.14 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.45 1tuy s GLU 219 CO 0.03 -0.43 0.57 0.41 -0.54 0.00 0.00 175.26 175.30 1tuy n GLY 220 N 4.53 -0.21 2.39 -1.50 0.00 0.11 -1.67 105.19 108.84 1tuy n GLY 220 Ca -0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1tuy n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tuy n GLY 221 N -1.41 0.59 3.25 -0.02 0.00 -1.21 -4.13 105.19 102.26 1tuy n GLY 221 Ca -0.06 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1tuy n GLY 221 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1tuy s LYS 222 N -1.62 3.12 -0.10 1.61 2.20 -0.67 -5.07 119.74 119.20 1tuy s LYS 222 Ca 0.00 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.48 1tuy s LYS 222 Cb 0.00 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.90 1tuy s LYS 222 CO 0.00 0.18 1.69 0.45 -0.36 0.00 0.00 175.35 177.31 1tuy s SER 223 N 0.36 6.51 -0.04 1.43 0.15 -1.26 -0.25 113.70 120.60 1tuy s SER 223 Ca -0.17 2.07 0.15 0.00 0.70 0.00 0.00 55.95 58.69 1tuy s SER 223 Cb -0.18 -2.53 -0.22 0.00 -1.71 0.00 0.00 66.02 61.38 1tuy s SER 223 CO 0.08 -1.08 0.29 0.52 1.20 0.00 0.00 173.24 174.24 1tuy n VAL 224 N 5.87 0.13 -3.57 4.45 0.31 -0.39 -3.19 118.33 121.95 1tuy n VAL 224 Ca 0.19 -0.37 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 1tuy n VAL 224 Cb 0.43 0.05 -0.06 0.00 -0.91 0.00 0.00 33.84 33.36 1tuy n VAL 224 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1tuy s GLU 225 N -2.93 0.73 0.00 5.55 2.56 -1.21 -4.34 118.70 119.07 1tuy s GLU 225 Ca -0.06 0.24 -0.07 0.00 0.00 0.00 0.00 54.97 55.09 1tuy s GLU 225 Cb 0.09 0.35 0.00 0.00 2.00 0.00 0.00 34.13 36.56 1tuy s GLU 225 CO 0.61 -0.22 0.13 -0.08 -0.56 0.00 0.00 175.26 175.14 1tuy s THR 226 N -0.98 0.08 0.22 -1.70 -1.32 -1.26 -0.72 115.64 109.97 1tuy s THR 226 Ca -0.04 -0.69 -0.07 0.00 -1.21 0.00 0.00 61.69 59.67 1tuy s THR 226 Cb -0.01 -0.42 0.16 0.00 -1.51 0.00 0.00 72.50 70.73 1tuy s THR 226 CO 0.03 -0.38 1.79 0.77 -2.21 0.00 0.00 174.62 174.62 1tuy h SER 227 N 4.33 1.11 -4.15 8.08 4.64 -1.26 -3.44 113.55 122.86 1tuy h SER 227 Ca -0.31 -0.17 -0.48 0.00 -0.47 0.00 0.00 61.79 60.36 1tuy h SER 227 Cb 1.19 -0.29 0.03 0.00 -0.31 0.00 0.00 62.40 63.02 1tuy h SER 227 CO 0.41 0.97 0.35 -0.04 -0.87 0.00 0.00 176.83 177.64 1tuy s MET 228 N -5.58 3.83 0.00 4.77 -1.94 -1.25 -3.23 119.30 115.91 1tuy s MET 228 Ca -0.12 0.82 0.00 0.00 -1.71 0.00 0.00 55.69 54.68 1tuy s MET 228 Cb 0.16 -2.16 0.00 0.00 2.01 0.00 0.00 34.83 34.84 1tuy s MET 228 CO 0.84 -0.31 0.00 0.41 -0.01 0.00 0.00 175.02 175.95 1tuy n GLY 229 N -1.84 1.78 0.19 -0.03 0.00 -1.26 -3.42 105.19 100.61 1tuy n GLY 229 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 1tuy n GLY 229 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tuy h PHE 230 N 0.00 -0.07 -1.42 1.61 3.57 -1.88 -1.98 116.94 116.77 1tuy h PHE 230 Ca 0.00 0.04 -0.64 0.00 3.53 0.00 0.00 57.97 60.90 1tuy h PHE 230 Cb 0.00 0.11 -0.13 0.00 2.79 0.00 0.00 35.95 38.72 1tuy h PHE 230 CO 0.00 -0.13 -0.58 0.95 -2.23 0.00 0.00 178.31 176.32 1tuy s THR 231 N -6.18 1.85 0.00 4.41 -4.23 -1.26 -4.68 115.64 105.55 1tuy s THR 231 Ca -0.14 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 1tuy s THR 231 Cb 0.16 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1tuy s THR 231 CO 0.72 0.00 1.28 -2.65 -0.54 0.00 0.00 174.62 173.43 1tuy n PRO 232 N -1.03 0.94 -0.04 3.99 -0.02 -1.26 -3.66 135.00 133.92 1tuy n PRO 232 Ca -0.08 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.39 1tuy n PRO 232 Cb 0.67 -1.03 -0.09 0.00 -0.02 0.00 0.00 33.50 33.03 1tuy n PRO 232 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1tuy n LEU 233 N 0.90 0.00 -4.77 2.45 7.94 -1.26 -5.01 117.00 117.26 1tuy n LEU 233 Ca 0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.56 1tuy n LEU 233 Cb 0.47 0.19 0.03 0.00 0.53 0.00 0.00 43.42 44.64 1tuy n LEU 233 CO 0.00 0.19 0.77 -0.70 -1.11 0.00 0.00 177.39 176.53 1tuy s GLU 234 N -2.43 2.95 0.00 1.96 2.12 -1.24 -3.14 118.70 118.91 1tuy s GLU 234 Ca -0.05 1.53 0.00 0.00 0.36 0.00 0.00 54.97 56.81 1tuy s GLU 234 Cb 0.05 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.48 1tuy s GLU 234 CO 0.46 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.43 1tuy n GLY 235 N -0.14 0.62 3.75 -1.50 0.00 -1.20 -3.86 105.19 102.86 1tuy n GLY 235 Ca 0.11 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1tuy n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tuy s LEU 236 N 0.00 2.57 0.45 0.99 1.43 -1.26 -1.56 118.68 121.30 1tuy s LEU 236 Ca 0.00 1.55 -0.21 0.00 -1.03 0.00 0.00 54.13 54.44 1tuy s LEU 236 Cb 0.00 -4.10 -0.09 0.00 0.03 0.00 0.00 46.19 42.03 1tuy s LEU 236 CO 0.00 -2.30 1.01 0.00 0.23 0.00 0.00 176.35 175.29 1tuy s ALA 237 N -2.97 2.97 0.00 4.21 0.00 -1.26 -3.95 121.76 120.75 1tuy s ALA 237 Ca 0.62 0.56 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1tuy s ALA 237 Cb -0.17 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1tuy s ALA 237 CO 0.56 -0.15 0.00 -1.33 0.00 0.00 0.00 175.76 174.84 1tuy n MET 238 N -0.67 1.77 -0.03 0.00 0.00 0.55 -4.79 117.12 113.95 1tuy n MET 238 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.69 1tuy n MET 238 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.71 1tuy n MET 238 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1tuy h GLY 239 N 0.00 0.13 -0.27 3.03 0.00 -1.77 0.46 103.07 104.65 1tuy h GLY 239 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1tuy h GLY 239 CO 0.00 -0.05 -0.13 -1.30 0.00 0.00 0.00 176.54 175.06 1tuy n THR 240 N -5.16 0.39 -4.33 4.70 -2.24 -1.25 -0.94 114.28 105.44 1tuy n THR 240 Ca -0.03 -0.43 -0.34 0.00 -2.27 0.00 0.00 64.05 60.98 1tuy n THR 240 Cb 0.10 0.64 -0.12 0.00 -2.10 0.00 0.00 70.33 68.86 1tuy n THR 240 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1tuy s ARG 241 N -0.49 3.72 0.50 -0.78 0.52 -1.25 -1.58 118.95 119.59 1tuy s ARG 241 Ca 0.03 -0.49 0.29 0.00 -0.52 0.00 0.00 55.73 55.05 1tuy s ARG 241 Cb 0.03 -2.96 1.21 0.00 0.52 0.00 0.00 34.95 33.74 1tuy s ARG 241 CO 0.00 0.26 1.93 0.00 0.02 0.00 0.00 175.30 177.51 1tuy n GLY 243 N -0.01 -0.43 3.55 0.00 0.00 -1.19 -4.47 105.19 102.65 1tuy n GLY 243 Ca 0.00 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1tuy n GLY 243 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tuy s SER 244 N -4.00 6.69 0.67 1.61 0.01 -0.60 -4.65 113.70 113.43 1tuy s SER 244 Ca 0.00 -2.02 -0.02 0.00 1.31 0.00 0.00 55.95 55.22 1tuy s SER 244 Cb 0.00 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.74 1tuy s SER 244 CO 0.00 -1.27 0.39 2.30 0.41 0.00 0.00 173.24 175.07 1tuy n ILE 245 N 6.39 0.00 -2.55 1.44 -5.35 -1.26 -4.96 119.36 113.07 1tuy n ILE 245 Ca 0.39 -0.49 -0.43 0.00 -0.27 0.00 0.00 62.75 61.95 1tuy n ILE 245 Cb 0.48 -1.41 -0.02 0.00 -1.74 0.00 0.00 39.64 36.95 1tuy n ILE 245 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1tuy s ASP 246 N -2.53 6.80 0.35 7.28 2.15 -1.26 -4.89 116.67 124.56 1tuy s ASP 246 Ca 0.24 1.04 0.14 0.00 0.43 0.00 0.00 52.55 54.41 1tuy s ASP 246 Cb -0.01 -2.54 1.05 0.00 -0.30 0.00 0.00 42.92 41.11 1tuy s ASP 246 CO 0.17 -1.00 1.69 -0.65 -0.17 0.00 0.00 175.17 175.21 1tuy h PRO 247 N 8.68 0.39 0.00 4.34 0.11 -1.99 0.49 132.00 144.01 1tuy h PRO 247 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1tuy h PRO 247 Cb 1.07 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1tuy h PRO 247 CO 1.04 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 179.09 1tuy n ALA 248 N -2.33 1.10 0.09 -0.75 0.00 -1.26 -1.01 120.51 116.35 1tuy n ALA 248 Ca 0.30 -0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.69 1tuy n ALA 248 Cb 0.93 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.36 1tuy n ALA 248 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1tuy h ILE 249 N 0.00 1.60 0.33 0.00 2.04 -0.40 -3.11 117.51 117.96 1tuy h ILE 249 Ca 0.00 -2.88 -0.01 0.00 1.00 0.00 0.00 64.86 62.97 1tuy h ILE 249 Cb 0.02 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1tuy h ILE 249 CO 0.00 0.82 -0.23 0.58 0.00 0.00 0.00 178.15 179.33 1tuy h VAL 250 N 0.01 0.52 -0.60 1.67 2.07 -1.23 0.11 116.25 118.80 1tuy h VAL 250 Ca -0.01 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1tuy h VAL 250 Cb 1.50 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1tuy h VAL 250 CO 0.11 0.00 0.04 1.55 0.02 0.00 0.00 177.57 179.29 1tuy h PRO 251 N -0.55 1.01 0.71 1.57 0.13 -1.72 -1.21 132.00 131.94 1tuy h PRO 251 Ca -0.03 -0.29 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1tuy h PRO 251 Cb 0.47 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.49 1tuy h PRO 251 CO 0.01 0.97 -0.40 0.35 -0.23 0.00 0.00 178.00 178.71 1tuy h PHE 252 N 0.94 -1.05 -0.86 1.56 3.57 -1.44 -0.66 116.94 119.00 1tuy h PHE 252 Ca 0.18 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.81 1tuy h PHE 252 Cb 0.49 0.37 -0.09 0.00 2.79 0.00 0.00 35.95 39.50 1tuy h PHE 252 CO 0.03 -0.61 0.45 1.25 -2.23 0.00 0.00 178.31 177.21 1tuy h LEU 253 N -1.02 0.56 -0.76 0.59 5.85 -0.79 0.34 115.31 120.07 1tuy h LEU 253 Ca -0.10 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1tuy h LEU 253 Cb 0.80 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1tuy h LEU 253 CO 0.12 0.24 0.44 0.24 -0.34 0.00 0.00 178.44 179.14 1tuy h MET 254 N 0.65 1.04 0.06 1.25 2.86 -0.97 -1.30 114.93 118.52 1tuy h MET 254 Ca 0.47 -0.11 -0.22 0.00 -2.06 0.00 0.00 59.70 57.78 1tuy h MET 254 Cb 0.66 -0.21 0.02 0.00 0.06 0.00 0.00 31.60 32.13 1tuy h MET 254 CO -0.36 0.75 -0.90 0.93 1.06 0.00 0.00 176.91 178.40 1tuy h GLU 255 N 1.04 0.51 0.00 1.72 5.08 -0.06 0.69 114.58 123.56 1tuy h GLU 255 Ca 0.27 -0.62 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1tuy h GLU 255 Cb -0.01 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1tuy h GLU 255 CO -0.05 1.25 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.96 1tuy h LYS 256 N 0.05 0.00 0.00 2.33 3.11 -0.22 -2.96 116.57 118.89 1tuy h LYS 256 Ca -0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1tuy h LYS 256 Cb 1.61 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.84 1tuy h LYS 256 CO 0.17 0.03 -0.18 0.39 -2.81 0.00 0.00 179.45 177.05 1tuy n GLU 257 N -3.99 0.86 -4.05 1.90 1.02 -0.50 -5.00 120.64 110.88 1tuy n GLU 257 Ca -0.03 -1.51 -0.34 0.00 -0.02 0.00 0.00 57.16 55.26 1tuy n GLU 257 Cb 0.11 -0.90 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 1tuy n GLU 257 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tuy n GLY 258 N -0.55 -0.45 3.80 0.62 0.00 0.22 -4.90 105.19 103.94 1tuy n GLY 258 Ca 0.05 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1tuy n GLY 258 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tuy s LEU 259 N -7.06 3.50 0.26 0.99 1.43 -0.12 -5.00 118.68 112.69 1tuy s LEU 259 Ca 0.68 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 55.61 1tuy s LEU 259 Cb -0.37 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.28 1tuy s LEU 259 CO 0.83 -1.15 0.42 0.42 0.23 0.00 0.00 176.35 177.10 1tuy s THR 260 N -2.46 5.21 0.34 5.49 -4.23 -1.26 -4.79 115.64 113.94 1tuy s THR 260 Ca 0.63 -0.71 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 1tuy s THR 260 Cb -0.16 -3.84 0.32 0.00 1.34 0.00 0.00 72.50 70.17 1tuy s THR 260 CO 0.37 -0.37 1.84 0.71 -0.54 0.00 0.00 174.62 176.63 1tuy h THR 261 N 1.12 0.80 -0.48 3.99 1.35 -1.99 0.72 112.91 118.41 1tuy h THR 261 Ca -0.50 -0.24 -0.06 0.00 -0.55 0.00 0.00 66.41 65.05 1tuy h THR 261 Cb 1.22 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 1tuy h THR 261 CO 0.63 0.13 0.06 0.03 -0.25 0.00 0.00 175.52 176.12 1tuy h ARG 262 N 0.71 0.81 0.32 4.72 -0.00 -2.00 -2.73 114.38 116.22 1tuy h ARG 262 Ca 0.49 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.98 59.73 1tuy h ARG 262 Cb 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.67 1tuy h ARG 262 CO -0.25 0.82 -0.15 0.93 0.00 0.00 0.00 179.97 181.32 1tuy h GLU 263 N 0.68 -0.41 -0.71 0.04 5.08 -1.31 -2.55 114.58 115.39 1tuy h GLU 263 Ca 0.14 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.68 1tuy h GLU 263 Cb 0.41 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1tuy h GLU 263 CO 0.01 -0.14 0.48 0.97 -1.00 0.00 0.00 179.01 179.34 1tuy h ILE 264 N -0.67 0.80 -0.41 3.13 6.09 -1.17 0.13 117.51 125.41 1tuy h ILE 264 Ca -0.04 -0.12 -0.06 0.00 -1.37 0.00 0.00 64.86 63.26 1tuy h ILE 264 Cb 0.47 0.40 -0.02 0.00 0.47 0.00 0.00 36.82 38.15 1tuy h ILE 264 CO 0.07 0.07 0.02 -0.78 -3.07 0.00 0.00 178.15 174.46 1tuy h ASP 265 N 0.36 0.69 -0.17 2.19 3.58 -1.35 -1.92 116.42 119.80 1tuy h ASP 265 Ca 0.35 -0.29 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 1tuy h ASP 265 Cb 0.84 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 1tuy h ASP 265 CO -0.10 0.81 -0.07 0.74 -2.88 0.00 0.00 179.24 177.74 1tuy h THR 266 N 0.54 1.21 -0.27 2.25 2.02 -0.39 -0.99 112.91 117.29 1tuy h THR 266 Ca 0.12 -0.90 -0.15 0.00 0.77 0.00 0.00 66.41 66.25 1tuy h THR 266 Cb 0.44 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1tuy h THR 266 CO 0.02 0.30 -0.44 0.25 0.37 0.00 0.00 175.52 176.02 1tuy h LEU 267 N 0.47 0.74 -0.28 2.58 6.46 -0.82 0.14 115.31 124.60 1tuy h LEU 267 Ca 0.09 -0.35 -0.20 0.00 -0.12 0.00 0.00 57.88 57.30 1tuy h LEU 267 Cb 0.41 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1tuy h LEU 267 CO 0.02 1.08 -0.85 0.24 -0.62 0.00 0.00 178.44 178.31 1tuy h MET 268 N 0.56 0.37 0.00 1.25 2.86 -0.94 -2.28 114.93 116.75 1tuy h MET 268 Ca 0.04 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1tuy h MET 268 Cb 0.98 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1tuy h MET 268 CO 0.09 1.02 -1.24 0.09 1.06 0.00 0.00 176.91 177.94 1tuy n ASN 269 N -3.77 0.54 0.00 1.22 3.02 -0.41 -2.46 115.26 113.40 1tuy n ASN 269 Ca -0.05 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1tuy n ASN 269 Cb 0.78 1.02 0.00 0.00 -0.61 0.00 0.00 39.78 40.97 1tuy n ASN 269 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1tuy n LYS 270 N -2.11 2.74 0.00 3.52 5.02 0.03 -4.37 118.16 122.98 1tuy n LYS 270 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.40 1tuy n LYS 270 Cb 0.48 -0.85 -0.08 0.00 -0.02 0.00 0.00 35.03 34.56 1tuy n LYS 270 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1tuy n LYS 271 N -1.55 0.03 0.00 1.97 5.02 -1.02 -4.77 118.16 117.83 1tuy n LYS 271 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1tuy n LYS 271 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1tuy n LYS 271 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1tuy n SER 272 N -1.54 0.00 0.00 4.39 7.64 -0.61 -2.83 113.62 120.67 1tuy n SER 272 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1tuy n SER 272 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1tuy n SER 272 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tuy n GLY 273 N 5.00 0.20 0.17 0.23 0.00 -1.07 -1.38 105.19 108.34 1tuy n GLY 273 Ca 0.00 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.25 1tuy n GLY 273 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1tuy h VAL 274 N 0.00 0.00 -0.17 1.61 -1.51 0.21 -2.94 116.25 113.45 1tuy h VAL 274 Ca 0.00 -0.46 -0.04 0.00 -1.23 0.00 0.00 66.70 64.97 1tuy h VAL 274 Cb 0.00 1.36 -0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1tuy h VAL 274 CO 0.00 0.00 -0.06 0.25 -1.23 0.00 0.00 177.57 176.53 1tuy h LEU 275 N 0.00 0.34 -1.27 4.19 5.85 -0.94 -1.89 115.31 121.60 1tuy h LEU 275 Ca 0.00 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 1tuy h LEU 275 Cb 0.58 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1tuy h LEU 275 CO 0.00 0.65 -0.24 1.23 -0.34 0.00 0.00 178.44 179.74 1tuy h GLY 276 N 0.03 0.21 0.17 3.75 0.00 -1.05 -0.13 103.07 106.06 1tuy h GLY 276 Ca 0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1tuy h GLY 276 CO 0.02 0.14 -0.30 -2.08 0.00 0.00 0.00 176.54 174.32 1tuy h VAL 277 N 0.18 1.66 0.00 4.60 2.07 -1.50 -3.33 116.25 119.93 1tuy h VAL 277 Ca 0.03 -2.38 -0.10 0.00 0.82 0.00 0.00 66.70 65.07 1tuy h VAL 277 Cb 0.53 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.55 1tuy h VAL 277 CO 0.04 0.62 -0.45 0.77 0.02 0.00 0.00 177.57 178.56 1tuy h SER 278 N -0.84 0.00 -0.09 0.57 4.64 -1.40 -3.45 113.55 112.98 1tuy h SER 278 Ca -0.06 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1tuy h SER 278 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1tuy h SER 278 CO 0.02 0.45 -0.04 0.61 -0.87 0.00 0.00 176.83 177.01 1tuy n GLY 279 N 0.32 0.26 0.29 -0.77 0.00 -0.06 -4.52 105.19 100.71 1tuy n GLY 279 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1tuy n GLY 279 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tuy n LEU 280 N -0.22 0.47 -3.83 0.99 7.94 -1.25 -5.06 117.00 116.03 1tuy n LEU 280 Ca -0.02 0.08 -0.06 0.00 -1.11 0.00 0.00 56.01 54.90 1tuy n LEU 280 Cb 0.44 -0.44 0.01 0.00 0.53 0.00 0.00 43.42 43.96 1tuy n LEU 280 CO 0.03 -0.47 0.64 -0.94 -1.11 0.00 0.00 177.39 175.53 1tuy s SER 281 N -4.73 -0.06 -0.00 1.96 1.04 -1.26 -5.02 113.70 105.63 1tuy s SER 281 Ca -0.06 -0.83 0.21 0.00 0.48 0.00 0.00 55.95 55.75 1tuy s SER 281 Cb 0.01 0.68 -0.23 0.00 0.10 0.00 0.00 66.02 66.57 1tuy s SER 281 CO 0.09 -1.32 0.89 -0.46 0.98 0.00 0.00 173.24 173.41 1tuy n ASN 282 N -1.09 0.98 -4.65 7.02 6.94 -1.26 -3.58 115.26 119.62 1tuy n ASN 282 Ca -0.06 -0.98 -0.43 0.00 -0.02 0.00 0.00 54.58 53.10 1tuy n ASN 282 Cb 0.60 1.02 -0.02 0.00 -2.36 0.00 0.00 39.78 39.01 1tuy n ASN 282 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1tuy s ASP 283 N -3.02 6.78 0.57 0.53 2.15 -1.26 -4.66 116.67 117.76 1tuy s ASP 283 Ca 0.08 1.63 0.35 0.00 0.43 0.00 0.00 52.55 55.04 1tuy s ASP 283 Cb 0.16 -2.54 1.61 0.00 -0.30 0.00 0.00 42.92 41.85 1tuy s ASP 283 CO 0.87 -0.91 2.08 -0.26 -0.17 0.00 0.00 175.17 176.77 1tuy h PHE 284 N 8.91 0.00 0.05 -5.34 -1.00 -1.98 -1.76 116.94 115.81 1tuy h PHE 284 Ca -0.29 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.49 1tuy h PHE 284 Cb 1.12 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.68 1tuy h PHE 284 CO 0.84 0.03 -0.02 -0.09 -1.61 0.00 0.00 178.31 177.45 1tuy h ARG 285 N 0.00 -0.06 -0.98 1.51 2.43 -1.99 -1.63 114.38 113.66 1tuy h ARG 285 Ca -0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1tuy h ARG 285 Cb 0.39 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 1tuy h ARG 285 CO 0.00 0.56 0.63 -0.44 -1.51 0.00 0.00 179.97 179.21 1tuy h ASP 286 N -0.90 0.94 -0.50 -3.80 3.32 -1.92 0.30 116.42 113.86 1tuy h ASP 286 Ca -0.01 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 1tuy h ASP 286 Cb 0.65 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1tuy h ASP 286 CO 0.01 0.55 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.98 1tuy h LEU 287 N 1.04 0.93 -0.81 1.55 3.38 -1.38 -0.65 115.31 119.36 1tuy h LEU 287 Ca 0.46 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1tuy h LEU 287 Cb 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1tuy h LEU 287 CO -0.21 1.00 0.29 -0.78 0.09 0.00 0.00 178.44 178.83 1tuy h ASP 288 N 0.86 1.09 0.08 -0.43 3.58 0.02 0.22 116.42 121.85 1tuy h ASP 288 Ca 0.15 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1tuy h ASP 288 Cb 0.56 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1tuy h ASP 288 CO 0.03 0.97 -0.04 -0.08 -2.88 0.00 0.00 179.24 177.25 1tuy h GLU 289 N 1.14 -0.10 -0.56 0.28 4.81 -0.92 -2.97 114.58 116.25 1tuy h GLU 289 Ca 0.26 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.57 1tuy h GLU 289 Cb 0.24 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 1tuy h GLU 289 CO -0.02 0.31 0.22 0.00 -0.73 0.00 0.00 179.01 178.79 1tuy h ALA 290 N 0.30 0.71 0.22 2.92 0.00 -1.00 -2.15 119.26 120.26 1tuy h ALA 290 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1tuy h ALA 290 Cb 0.47 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1tuy h ALA 290 CO 0.02 -0.19 -0.49 0.00 0.00 0.00 0.00 179.25 178.60 1tuy h ALA 291 N 1.38 -0.94 -0.20 0.00 0.00 -0.97 -1.51 119.26 117.02 1tuy h ALA 291 Ca 0.28 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1tuy h ALA 291 Cb 0.31 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1tuy h ALA 291 CO -0.27 -1.09 0.20 0.66 0.00 0.00 0.00 179.25 178.75 1tuy h SER 292 N -0.78 0.00 -0.29 0.00 4.64 -1.32 -0.25 113.55 115.55 1tuy h SER 292 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1tuy h SER 292 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1tuy h SER 292 CO -0.22 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.03 1tuy n LYS 293 N -3.89 1.71 0.00 4.77 5.02 -0.65 -4.90 118.16 120.22 1tuy n LYS 293 Ca 0.02 -1.10 0.00 0.00 -2.02 0.00 0.00 58.31 55.21 1tuy n LYS 293 Cb 0.33 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1tuy n LYS 293 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tuy n GLY 294 N 1.00 1.09 3.40 0.72 0.00 -0.11 -5.05 105.19 106.24 1tuy n GLY 294 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1tuy n GLY 294 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1tuy s ASN 295 N -2.00 6.19 0.11 1.61 3.84 -0.70 -4.95 114.94 119.04 1tuy s ASN 295 Ca 0.00 -1.26 -0.21 0.00 0.21 0.00 0.00 52.86 51.60 1tuy s ASN 295 Cb 0.00 -2.27 -0.10 0.00 -0.55 0.00 0.00 41.25 38.33 1tuy s ASN 295 CO 0.00 -0.94 1.75 -0.09 -2.79 0.00 0.00 177.10 175.04 1tuy h ARG 296 N 9.02 0.13 -0.67 0.43 9.65 -1.89 0.36 114.38 131.41 1tuy h ARG 296 Ca -0.29 -0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.71 1tuy h ARG 296 Cb 1.09 -0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 29.55 1tuy h ARG 296 CO 1.01 0.09 0.19 0.87 2.80 0.00 0.00 179.97 184.93 1tuy h LYS 297 N 0.13 0.32 -0.35 0.20 1.79 -1.88 0.92 116.57 117.71 1tuy h LYS 297 Ca 0.05 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.38 1tuy h LYS 297 Cb 0.00 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1tuy h LYS 297 CO -0.03 0.21 -0.26 0.00 -1.08 0.00 0.00 179.45 178.30 1tuy h ALA 298 N 1.52 0.50 -0.00 3.86 0.00 -1.72 -0.88 119.26 122.53 1tuy h ALA 298 Ca 0.36 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1tuy h ALA 298 Cb 0.55 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1tuy h ALA 298 CO -0.42 0.50 -0.20 1.49 0.00 0.00 0.00 179.25 180.62 1tuy h GLU 299 N 0.57 -0.32 -0.80 0.00 4.57 0.20 -1.72 114.58 117.08 1tuy h GLU 299 Ca 0.07 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1tuy h GLU 299 Cb 0.82 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 1tuy h GLU 299 CO 0.07 -0.21 0.43 1.25 -1.18 0.00 0.00 179.01 179.37 1tuy h LEU 300 N -0.33 1.00 0.18 1.64 5.85 0.83 -1.69 115.31 122.79 1tuy h LEU 300 Ca 0.06 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1tuy h LEU 300 Cb 0.41 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1tuy h LEU 300 CO -0.19 0.81 -0.36 0.00 -0.34 0.00 0.00 178.44 178.36 1tuy h ALA 301 N 1.35 -0.67 -0.10 1.25 0.00 -0.62 0.20 119.26 120.67 1tuy h ALA 301 Ca 0.28 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1tuy h ALA 301 Cb 0.04 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1tuy h ALA 301 CO -0.04 -0.93 -0.17 -0.07 0.00 0.00 0.00 179.25 178.04 1tuy h LEU 302 N -0.63 0.15 -0.23 0.00 3.38 -1.15 -1.56 115.31 115.27 1tuy h LEU 302 Ca 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1tuy h LEU 302 Cb 0.64 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1tuy h LEU 302 CO -0.17 0.33 0.09 -0.33 0.09 0.00 0.00 178.44 178.44 1tuy h GLU 303 N 0.15 0.34 -0.80 1.13 5.08 -0.54 -0.36 114.58 119.58 1tuy h GLU 303 Ca 0.03 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1tuy h GLU 303 Cb 0.39 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1tuy h GLU 303 CO 0.03 0.40 0.36 0.82 -1.00 0.00 0.00 179.01 179.61 1tuy h ILE 304 N 0.21 1.26 0.45 3.13 2.04 -0.24 -1.96 117.51 122.39 1tuy h ILE 304 Ca 0.07 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1tuy h ILE 304 Cb 0.19 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1tuy h ILE 304 CO -0.01 0.32 -0.22 0.15 0.00 0.00 0.00 178.15 178.39 1tuy h PHE 305 N 1.14 -0.56 -0.34 1.37 3.04 -1.09 -2.09 116.94 118.42 1tuy h PHE 305 Ca 0.27 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.27 1tuy h PHE 305 Cb 0.16 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.84 1tuy h PHE 305 CO 0.02 -0.26 0.23 0.00 -2.02 0.00 0.00 178.31 176.28 1tuy h ALA 306 N -0.37 2.09 -0.14 2.41 0.00 -0.99 -2.08 119.26 120.17 1tuy h ALA 306 Ca -0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1tuy h ALA 306 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1tuy h ALA 306 CO 0.10 -0.17 -0.41 -0.92 0.00 0.00 0.00 179.25 177.85 1tuy h TYR 307 N 0.17 0.69 -0.68 0.00 3.20 -1.29 -2.49 116.97 116.58 1tuy h TYR 307 Ca 0.15 -0.27 -0.05 0.00 3.14 0.00 0.00 58.73 61.70 1tuy h TYR 307 Cb 0.38 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1tuy h TYR 307 CO -0.00 1.03 0.24 0.87 -1.64 0.00 0.00 178.16 178.66 1tuy h LYS 308 N 0.16 1.03 -0.12 1.82 1.57 -0.70 -1.73 116.57 118.60 1tuy h LYS 308 Ca -0.01 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 1tuy h LYS 308 Cb 1.03 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1tuy h LYS 308 CO 0.09 0.88 -0.35 0.28 -0.57 0.00 0.00 179.45 179.78 1tuy h VAL 309 N 0.98 1.28 0.09 0.50 2.07 -1.49 -2.91 116.25 116.77 1tuy h VAL 309 Ca 0.22 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1tuy h VAL 309 Cb 0.26 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1tuy h VAL 309 CO -0.01 0.41 -0.04 0.50 0.02 0.00 0.00 177.57 178.44 1tuy h LYS 310 N 0.20 -0.12 -0.56 1.57 3.64 -0.90 -2.56 116.57 117.85 1tuy h LYS 310 Ca 0.02 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1tuy h LYS 310 Cb 0.72 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 1tuy h LYS 310 CO 0.05 -0.04 0.27 0.87 -2.27 0.00 0.00 179.45 178.33 1tuy h LYS 311 N -0.16 0.50 -0.61 1.90 1.57 -1.22 -1.80 116.57 116.75 1tuy h LYS 311 Ca -0.01 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1tuy h LYS 311 Cb 0.13 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1tuy h LYS 311 CO 0.02 0.33 0.41 0.74 -0.57 0.00 0.00 179.45 180.38 1tuy h PHE 312 N 0.52 0.63 -0.63 -1.35 0.04 -1.34 0.87 116.94 115.68 1tuy h PHE 312 Ca 0.26 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.01 1tuy h PHE 312 Cb 0.20 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1tuy h PHE 312 CO -0.11 0.35 0.26 0.82 -0.60 0.00 0.00 178.31 179.02 1tuy h ILE 313 N 0.64 1.22 -0.05 -0.55 2.04 -0.93 0.15 117.51 120.04 1tuy h ILE 313 Ca 0.26 -0.68 -0.18 0.00 1.00 0.00 0.00 64.86 65.25 1tuy h ILE 313 Cb 0.22 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1tuy h ILE 313 CO -0.08 0.27 -0.67 1.23 0.00 0.00 0.00 178.15 178.90 1tuy h GLY 314 N 1.01 0.60 0.45 5.37 0.00 0.08 -2.92 103.07 107.66 1tuy h GLY 314 Ca 0.21 -0.96 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 1tuy h GLY 314 CO -0.02 0.85 -0.33 -2.09 0.00 0.00 0.00 176.54 174.95 1tuy h GLU 315 N 0.12 -0.73 0.00 4.80 4.81 0.10 -2.51 114.58 121.17 1tuy h GLU 315 Ca -0.07 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1tuy h GLU 315 Cb 1.35 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.89 1tuy h GLU 315 CO 0.14 -0.48 0.00 0.66 -0.73 0.00 0.00 179.01 178.59 1tuy n TYR 316 N -4.44 0.07 0.10 0.92 4.02 0.48 -0.84 117.16 117.48 1tuy n TYR 316 Ca -0.09 0.03 -0.04 0.00 -0.01 0.00 0.00 57.90 57.79 1tuy n TYR 316 Cb 0.33 -0.56 0.06 0.00 -0.02 0.00 0.00 39.34 39.16 1tuy n TYR 316 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1tuy h SER 317 N 0.00 0.07 0.65 7.72 0.02 -1.24 -1.41 113.55 119.36 1tuy h SER 317 Ca 0.00 -0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.64 1tuy h SER 317 Cb 0.04 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1tuy h SER 317 CO 0.00 0.80 -1.16 0.00 -1.14 0.00 0.00 176.83 175.33 1tuy h ALA 318 N 1.20 0.18 -0.10 3.77 0.00 -0.94 -0.82 119.26 122.55 1tuy h ALA 318 Ca -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 1tuy h ALA 318 Cb 1.33 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1tuy h ALA 318 CO 0.10 0.99 0.04 0.28 0.00 0.00 0.00 179.25 180.66 1tuy h VAL 319 N 0.08 1.15 -0.00 0.00 2.07 -1.31 -2.96 116.25 115.28 1tuy h VAL 319 Ca -0.11 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1tuy h VAL 319 Cb 1.88 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1tuy h VAL 319 CO 0.19 0.13 -0.14 0.18 0.02 0.00 0.00 177.57 177.95 1tuy n LEU 320 N -4.92 0.30 -3.46 2.57 4.77 -0.55 -4.94 117.00 110.77 1tuy n LEU 320 Ca -0.06 0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.91 1tuy n LEU 320 Cb 0.11 -0.29 0.08 0.00 -2.33 0.00 0.00 43.42 41.00 1tuy n LEU 320 CO 0.34 0.06 0.10 -3.20 -1.33 0.00 0.00 177.39 173.36 1tuy n ASN 321 N -1.23 -2.14 0.00 -1.43 5.15 -0.41 -4.68 115.26 110.53 1tuy n ASN 321 Ca 0.11 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.45 1tuy n ASN 321 Cb 0.30 -5.03 0.00 0.00 -0.53 0.00 0.00 39.78 34.52 1tuy n ASN 321 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1tuy n GLY 322 N -1.20 1.19 3.89 8.20 0.00 -0.62 -5.05 105.19 111.60 1tuy n GLY 322 Ca -0.28 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1tuy n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tuy s ALA 323 N 0.00 3.64 -0.03 4.61 0.00 -1.26 -4.90 121.76 123.82 1tuy s ALA 323 Ca 0.00 -0.41 0.12 0.00 0.00 0.00 0.00 51.96 51.67 1tuy s ALA 323 Cb 0.00 -2.32 -0.20 0.00 0.00 0.00 0.00 23.12 20.61 1tuy s ALA 323 CO 0.00 0.51 0.83 -0.44 0.00 0.00 0.00 175.76 176.66 1tuy h ASP 324 N 2.47 0.00 -5.03 0.00 3.32 -0.37 -3.46 116.42 113.35 1tuy h ASP 324 Ca -0.47 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 1tuy h ASP 324 Cb 1.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1tuy h ASP 324 CO 0.70 0.90 0.07 0.00 -1.72 0.00 0.00 179.24 179.19 1tuy s ALA 325 N -2.69 -1.34 -0.16 3.45 0.00 -1.17 -2.36 121.76 117.49 1tuy s ALA 325 Ca -0.03 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1tuy s ALA 325 Cb 0.08 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.83 1tuy s ALA 325 CO 0.82 -0.62 -0.18 0.08 0.00 0.00 0.00 175.76 175.85 1tuy s VAL 326 N -3.14 1.90 -0.20 0.00 1.01 -0.09 -0.90 120.40 118.97 1tuy s VAL 326 Ca -0.01 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1tuy s VAL 326 Cb -0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1tuy s VAL 326 CO -0.07 0.51 0.05 -0.69 0.00 0.00 0.00 175.10 174.90 1tuy s VAL 327 N 1.24 4.47 -0.16 2.92 1.01 0.34 -2.59 120.40 127.63 1tuy s VAL 327 Ca 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1tuy s VAL 327 Cb -0.13 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1tuy s VAL 327 CO -0.10 0.42 -0.02 -0.36 0.00 0.00 0.00 175.10 175.04 1tuy s PHE 328 N 0.81 3.05 0.14 5.22 0.40 -0.79 0.29 117.98 127.10 1tuy s PHE 328 Ca 0.03 -0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1tuy s PHE 328 Cb -0.14 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.41 1tuy s PHE 328 CO 0.02 -0.03 0.20 -2.37 0.70 0.00 0.00 175.22 173.74 1tuy n THR 329 N 3.61 0.00 -0.12 0.64 5.66 -0.69 -1.83 114.28 121.55 1tuy n THR 329 Ca -0.17 -0.69 0.02 0.00 -3.05 0.00 0.00 64.05 60.16 1tuy n THR 329 Cb 0.52 0.43 -0.00 0.00 -1.55 0.00 0.00 70.33 69.73 1tuy n THR 329 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tuy n ALA 330 N -2.08 -0.31 -0.10 1.79 0.00 -1.26 -2.10 120.51 116.45 1tuy n ALA 330 Ca -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1tuy n ALA 330 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 1tuy n ALA 330 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tuy n GLY 331 N -1.70 -2.31 0.25 0.00 0.00 -1.04 -0.35 105.19 100.04 1tuy n GLY 331 Ca -0.00 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.53 1tuy n GLY 331 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tuy h ILE 332 N 0.00 0.00 0.00 -0.61 2.04 -1.41 -2.98 117.51 114.54 1tuy h ILE 332 Ca 0.04 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1tuy h ILE 332 Cb 0.10 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1tuy h ILE 332 CO -0.22 0.00 0.38 1.23 0.00 0.00 0.00 178.15 179.54 1tuy h GLY 333 N -0.87 0.00 0.56 5.37 0.00 -1.51 0.39 103.07 107.01 1tuy h GLY 333 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.93 1tuy h GLY 333 CO 0.10 0.00 -1.86 0.83 0.00 0.00 0.00 176.54 175.61 1tuy h GLU 334 N 0.00 0.24 0.00 4.80 5.08 -0.76 -3.37 114.58 120.58 1tuy h GLU 334 Ca 0.00 -0.42 -0.22 0.00 -1.00 0.00 0.00 59.36 57.73 1tuy h GLU 334 Cb 0.77 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 1tuy h GLU 334 CO 0.00 1.20 -1.81 0.09 -1.00 0.00 0.00 179.01 177.49 1tuy n ASN 335 N -3.63 2.16 -4.57 1.42 3.02 -0.67 -4.49 115.26 108.50 1tuy n ASN 335 Ca -0.31 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 53.82 1tuy n ASN 335 Cb 1.00 0.71 -0.02 0.00 -0.61 0.00 0.00 39.78 40.86 1tuy n ASN 335 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1tuy s SER 336 N -4.52 6.55 0.53 6.41 0.15 0.13 -4.74 113.70 118.22 1tuy s SER 336 Ca -0.07 -1.71 0.19 0.00 0.70 0.00 0.00 55.95 55.06 1tuy s SER 336 Cb 0.04 -2.57 1.37 0.00 -1.71 0.00 0.00 66.02 63.14 1tuy s SER 336 CO 0.47 -1.46 2.16 0.00 1.20 0.00 0.00 173.24 175.61 1tuy h ALA 337 N 9.22 1.84 -0.19 5.45 0.00 -1.85 -2.31 119.26 131.42 1tuy h ALA 337 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1tuy h ALA 337 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1tuy h ALA 337 CO 1.43 0.03 0.00 0.45 0.00 0.00 0.00 179.25 181.16 1tuy n SER 338 N -4.34 0.00 -0.26 0.00 2.88 -1.26 -1.37 113.62 109.27 1tuy n SER 338 Ca -0.03 0.97 0.06 0.00 -1.33 0.00 0.00 58.87 58.54 1tuy n SER 338 Cb 0.11 -0.47 0.20 0.00 -0.75 0.00 0.00 64.21 63.30 1tuy n SER 338 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1tuy h ILE 339 N 0.00 0.57 -0.99 2.46 1.08 -1.90 -0.17 117.51 118.56 1tuy h ILE 339 Ca 0.00 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.39 1tuy h ILE 339 Cb 0.00 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 33.87 1tuy h ILE 339 CO 0.00 0.07 0.64 0.03 -0.69 0.00 0.00 178.15 178.20 1tuy h ARG 340 N 0.36 1.17 -0.49 2.37 3.08 -1.37 -1.34 114.38 118.16 1tuy h ARG 340 Ca 0.43 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1tuy h ARG 340 Cb 0.72 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1tuy h ARG 340 CO -0.47 0.78 0.31 -0.22 -1.07 0.00 0.00 179.97 179.29 1tuy h LYS 341 N 1.21 0.65 -0.49 0.04 1.63 0.24 -0.74 116.57 119.11 1tuy h LYS 341 Ca 0.41 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 60.02 1tuy h LYS 341 Cb 0.07 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1tuy h LYS 341 CO -0.14 0.45 -0.22 0.00 -3.45 0.00 0.00 179.45 176.09 1tuy h ARG 342 N 0.67 1.01 -0.19 1.90 3.08 -1.03 -2.71 114.38 117.11 1tuy h ARG 342 Ca 0.18 -0.43 -0.14 0.00 0.07 0.00 0.00 59.98 59.66 1tuy h ARG 342 Cb -0.04 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1tuy h ARG 342 CO -0.04 1.11 -0.43 0.82 -1.07 0.00 0.00 179.97 180.37 1tuy h ILE 343 N 0.87 1.33 0.00 2.04 2.04 -0.71 -3.31 117.51 119.77 1tuy h ILE 343 Ca 0.11 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1tuy h ILE 343 Cb 0.80 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1tuy h ILE 343 CO 0.07 0.52 -0.18 0.18 0.00 0.00 0.00 178.15 178.74 1tuy n LEU 344 N -4.22 0.40 -4.71 1.44 4.77 -0.36 -4.73 117.00 109.58 1tuy n LEU 344 Ca -0.06 0.39 -0.42 0.00 -0.03 0.00 0.00 56.01 55.89 1tuy n LEU 344 Cb 0.55 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1tuy n LEU 344 CO 0.46 -0.03 0.93 -0.89 -1.33 0.00 0.00 177.39 176.53 1tuy s THR 345 N -3.05 3.84 -0.10 -5.08 2.01 -1.02 -3.63 115.64 108.61 1tuy s THR 345 Ca 0.12 1.33 -0.00 0.00 0.31 0.00 0.00 61.69 63.44 1tuy s THR 345 Cb 0.16 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1tuy s THR 345 CO 0.60 0.11 0.08 0.61 -0.69 0.00 0.00 174.62 175.33 1tuy n GLY 346 N 3.25 0.58 0.22 4.40 0.00 -1.26 -4.99 105.19 107.39 1tuy n GLY 346 Ca 0.09 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.62 1tuy n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tuy n LEU 347 N -1.06 0.68 0.24 0.99 4.77 -1.24 -4.79 117.00 116.59 1tuy n LEU 347 Ca -0.01 -1.23 0.11 0.00 -0.03 0.00 0.00 56.01 54.85 1tuy n LEU 347 Cb 0.51 -0.08 0.62 0.00 -2.33 0.00 0.00 43.42 42.14 1tuy n LEU 347 CO 0.05 0.29 0.90 -2.24 -1.33 0.00 0.00 177.39 175.06 1tuy h ASP 348 N 0.00 0.00 -0.96 -1.43 2.03 -1.78 -0.79 116.42 113.50 1tuy h ASP 348 Ca 0.00 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.35 1tuy h ASP 348 Cb 1.10 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.54 1tuy h ASP 348 CO 0.00 0.18 0.62 1.23 -1.03 0.00 0.00 179.24 180.24 1tuy h GLY 349 N 1.19 1.41 -3.54 7.15 0.00 -1.86 0.75 103.07 108.16 1tuy h GLY 349 Ca -0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 47.33 46.64 1tuy h GLY 349 CO 0.02 0.36 0.29 0.29 0.00 0.00 0.00 176.54 177.50 1tuy n ILE 350 N -4.47 2.73 -3.00 2.60 -5.35 -0.89 -4.92 119.36 106.07 1tuy n ILE 350 Ca 0.14 -1.48 -0.12 0.00 -0.27 0.00 0.00 62.75 61.02 1tuy n ILE 350 Cb 0.15 -0.41 0.04 0.00 -1.74 0.00 0.00 39.64 37.68 1tuy n ILE 350 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tuy n GLY 351 N -0.19 0.15 2.96 3.28 0.00 0.26 -4.87 105.19 106.77 1tuy n GLY 351 Ca 0.39 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1tuy n GLY 351 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tuy s ILE 352 N -3.17 1.14 0.02 -0.61 1.01 -0.36 -1.81 121.20 117.43 1tuy s ILE 352 Ca 0.24 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.50 1tuy s ILE 352 Cb -0.10 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 1tuy s ILE 352 CO 0.38 0.38 -0.04 -0.54 0.00 0.00 0.00 174.94 175.12 1tuy s LYS 353 N 1.37 0.35 0.01 2.79 1.02 -1.26 -2.39 119.74 121.63 1tuy s LYS 353 Ca -0.01 -0.62 0.05 0.00 0.02 0.00 0.00 55.97 55.41 1tuy s LYS 353 Cb -0.14 0.00 -0.02 0.00 -0.52 0.00 0.00 37.83 37.16 1tuy s LYS 353 CO -0.05 -0.02 -0.15 0.96 -0.92 0.00 0.00 175.35 175.17 1tuy s ILE 354 N -1.37 1.16 -0.78 2.17 -4.36 -1.26 -2.79 121.20 113.96 1tuy s ILE 354 Ca -0.14 -0.78 -0.25 0.00 -0.26 0.00 0.00 60.65 59.22 1tuy s ILE 354 Cb -0.10 -1.00 0.05 0.00 1.25 0.00 0.00 42.46 42.66 1tuy s ILE 354 CO -0.01 0.20 1.23 -0.62 0.24 0.00 0.00 174.94 175.99 1tuy s ASP 355 N -0.67 6.24 0.62 4.36 -1.08 -0.70 -4.77 116.67 120.67 1tuy s ASP 355 Ca 0.04 -0.79 0.23 0.00 -0.52 0.00 0.00 52.55 51.51 1tuy s ASP 355 Cb -0.07 -2.52 0.95 0.00 -1.46 0.00 0.00 42.92 39.82 1tuy s ASP 355 CO 0.00 -1.67 1.44 0.44 0.52 0.00 0.00 175.17 175.90 1tuy h ASP 356 N 9.84 0.00 0.11 -0.34 5.19 -1.98 -0.46 116.42 128.78 1tuy h ASP 356 Ca -0.19 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.00 1tuy h ASP 356 Cb 1.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1tuy h ASP 356 CO 1.28 0.00 -1.11 -0.33 -3.12 0.00 0.00 179.24 175.95 1tuy h GLU 357 N 0.00 0.24 0.00 3.56 4.39 -1.96 -3.28 114.58 117.52 1tuy h GLU 357 Ca 0.29 -0.40 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 1tuy h GLU 357 Cb 2.14 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 30.94 1tuy h GLU 357 CO -0.00 1.19 -0.16 -0.22 -1.16 0.00 0.00 179.01 178.66 1tuy h LYS 358 N -0.41 0.00 0.00 2.33 3.64 -1.49 -2.03 116.57 118.62 1tuy h LYS 358 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1tuy h LYS 358 Cb 1.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1tuy h LYS 358 CO 0.07 0.16 0.00 -1.71 -2.27 0.00 0.00 179.45 175.70 1tuy n ASN 359 N -3.67 0.62 0.15 4.20 5.15 -0.63 -2.00 115.26 119.10 1tuy n ASN 359 Ca -0.02 0.67 0.09 0.00 -0.60 0.00 0.00 54.58 54.73 1tuy n ASN 359 Cb 0.28 -0.80 0.07 0.00 -0.53 0.00 0.00 39.78 38.80 1tuy n ASN 359 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1tuy h LYS 360 N 0.00 0.00 -6.56 1.20 1.57 -1.44 -3.42 116.57 107.92 1tuy h LYS 360 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1tuy h LYS 360 Cb 0.30 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.72 1tuy h LYS 360 CO 0.00 0.12 0.27 -0.89 -0.57 0.00 0.00 179.45 178.39 1tuy n ILE 361 N -2.99 1.92 0.00 1.86 5.41 -0.85 -4.97 119.36 119.75 1tuy n ILE 361 Ca 0.01 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1tuy n ILE 361 Cb 0.61 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 1tuy n ILE 361 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1tuy n ARG 362 N 0.76 2.37 -2.03 0.38 1.85 -1.26 -4.82 116.66 113.90 1tuy n ARG 362 Ca 0.08 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.61 1tuy n ARG 362 Cb 0.33 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.70 1tuy n ARG 362 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1tuy s GLY 363 N -0.06 0.17 -0.12 2.89 0.00 -1.26 -4.87 107.32 104.06 1tuy s GLY 363 Ca 0.00 -1.05 -0.28 0.00 0.00 0.00 0.00 44.72 43.38 1tuy s GLY 363 CO 0.00 3.47 0.68 1.20 0.00 0.00 0.00 173.10 178.45 1tuy s GLN 364 N 7.07 0.97 -0.68 2.90 -1.52 -1.26 -5.06 119.66 122.08 1tuy s GLN 364 Ca 0.69 0.50 -0.27 0.00 -1.95 0.00 0.00 55.36 54.34 1tuy s GLN 364 Cb -0.10 0.46 0.00 0.00 -0.22 0.00 0.00 33.01 33.16 1tuy s GLN 364 CO 0.10 -0.25 1.57 -2.00 -0.25 0.00 0.00 175.29 174.47 1tuy s GLU 365 N -0.65 2.91 0.01 2.91 2.12 -1.25 -4.69 118.70 120.06 1tuy s GLU 365 Ca -0.07 0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.47 1tuy s GLU 365 Cb -0.02 -4.29 -0.01 0.00 0.26 0.00 0.00 34.13 30.07 1tuy s GLU 365 CO 0.07 -2.45 -0.07 -1.50 -0.54 0.00 0.00 175.26 170.77 1tuy s ILE 366 N 7.42 0.55 -0.58 -3.70 1.10 -1.16 -4.97 121.20 119.86 1tuy s ILE 366 Ca 0.51 -0.57 -0.23 0.00 -0.51 0.00 0.00 60.65 59.85 1tuy s ILE 366 Cb -0.10 -0.52 0.05 0.00 0.15 0.00 0.00 42.46 42.04 1tuy s ILE 366 CO 0.18 -0.03 0.91 -0.62 -2.11 0.00 0.00 174.94 173.27 1tuy s ASP 367 N -0.67 6.26 -0.16 4.50 2.15 -1.26 -1.59 116.67 125.91 1tuy s ASP 367 Ca -0.01 -0.65 0.04 0.00 0.43 0.00 0.00 52.55 52.36 1tuy s ASP 367 Cb -0.05 -2.41 0.35 0.00 -0.30 0.00 0.00 42.92 40.51 1tuy s ASP 367 CO 0.00 -1.27 1.26 2.30 -0.17 0.00 0.00 175.17 177.30 1tuy n ILE 368 N 6.03 1.68 -4.14 4.11 -5.35 -0.78 -4.89 119.36 116.01 1tuy n ILE 368 Ca -0.01 -0.78 -0.31 0.00 -0.27 0.00 0.00 62.75 61.38 1tuy n ILE 368 Cb 0.46 -0.57 -0.08 0.00 -1.74 0.00 0.00 39.64 37.71 1tuy n ILE 368 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1tuy s SER 369 N -0.23 5.13 0.50 7.28 1.04 -1.26 -1.72 113.70 124.44 1tuy s SER 369 Ca 0.26 -0.12 -0.23 0.00 0.48 0.00 0.00 55.95 56.34 1tuy s SER 369 Cb 0.21 -1.27 -0.06 0.00 0.10 0.00 0.00 66.02 65.00 1tuy s SER 369 CO 0.06 0.19 1.36 0.42 0.98 0.00 0.00 173.24 176.25 1tuy s THR 370 N -1.29 2.20 0.60 2.02 -4.23 -1.12 -4.68 115.64 109.15 1tuy s THR 370 Ca 0.25 0.16 0.29 0.00 -1.18 0.00 0.00 61.69 61.22 1tuy s THR 370 Cb -0.12 -3.09 0.36 0.00 1.34 0.00 0.00 72.50 71.00 1tuy s THR 370 CO 0.18 0.01 2.00 1.55 -0.54 0.00 0.00 174.62 177.82 1tuy h PRO 371 N 1.85 0.00 0.00 3.99 0.13 -1.97 -0.18 132.00 135.83 1tuy h PRO 371 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1tuy h PRO 371 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1tuy h PRO 371 CO 0.59 0.00 -0.82 -0.40 -0.23 0.00 0.00 178.00 177.14 1tuy n ASP 372 N -3.61 0.66 -4.69 1.44 5.75 -1.26 -4.96 116.55 109.88 1tuy n ASP 372 Ca 0.04 -0.39 -0.44 0.00 -0.01 0.00 0.00 54.79 53.99 1tuy n ASP 372 Cb 0.46 0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 41.14 1tuy n ASP 372 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1tuy n ALA 373 N -1.64 2.02 0.30 2.12 0.00 -0.08 -4.86 120.51 118.38 1tuy n ALA 373 Ca 0.04 0.42 0.19 0.00 0.00 0.00 0.00 53.44 54.09 1tuy n ALA 373 Cb 0.38 -2.43 0.92 0.00 0.00 0.00 0.00 19.45 18.33 1tuy n ALA 373 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1tuy h LYS 374 N 6.16 0.00 -5.27 0.00 3.64 -1.88 -3.41 116.57 115.81 1tuy h LYS 374 Ca -0.44 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.26 1tuy h LYS 374 Cb 1.23 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.72 1tuy h LYS 374 CO 0.91 0.02 -0.88 0.08 -2.27 0.00 0.00 179.45 177.32 1tuy s VAL 375 N -3.97 2.04 0.49 2.00 1.01 -0.75 -4.96 120.40 116.26 1tuy s VAL 375 Ca -0.02 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.76 1tuy s VAL 375 Cb 0.11 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 1tuy s VAL 375 CO 0.49 0.55 1.03 -0.13 0.00 0.00 0.00 175.10 177.05 1tuy s ARG 376 N 0.52 3.83 -0.47 2.72 1.81 -0.99 -4.68 118.95 121.70 1tuy s ARG 376 Ca -0.14 1.32 0.03 0.00 -1.72 0.00 0.00 55.73 55.22 1tuy s ARG 376 Cb -0.17 -2.10 0.16 0.00 -0.45 0.00 0.00 34.95 32.39 1tuy s ARG 376 CO 0.05 -0.40 0.34 0.08 -0.68 0.00 0.00 175.30 174.69 1tuy s VAL 377 N -2.04 0.97 0.41 3.52 1.01 -1.26 -0.91 120.40 122.10 1tuy s VAL 377 Ca 0.66 -2.86 -0.22 0.00 0.00 0.00 0.00 61.98 59.56 1tuy s VAL 377 Cb -0.15 -1.67 -0.10 0.00 0.00 0.00 0.00 36.38 34.46 1tuy s VAL 377 CO 0.20 -1.12 0.97 -0.36 0.00 0.00 0.00 175.10 174.79 1tuy s PHE 378 N -0.10 3.35 -0.58 5.22 0.08 -1.07 -1.87 117.98 123.02 1tuy s PHE 378 Ca 0.28 1.65 -0.01 0.00 0.12 0.00 0.00 56.93 58.96 1tuy s PHE 378 Cb -0.05 -2.91 0.15 0.00 -0.57 0.00 0.00 43.02 39.65 1tuy s PHE 378 CO -0.14 -0.16 0.38 0.08 -0.10 0.00 0.00 175.22 175.28 1tuy s VAL 379 N -2.00 3.43 -0.26 -0.44 1.01 -0.62 -1.89 120.40 119.63 1tuy s VAL 379 Ca 0.60 -2.94 -0.08 0.00 0.00 0.00 0.00 61.98 59.57 1tuy s VAL 379 Cb -0.13 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1tuy s VAL 379 CO 0.17 -0.84 0.08 -0.63 0.00 0.00 0.00 175.10 173.88 1tuy s ILE 380 N 0.02 4.29 0.40 2.22 1.01 -0.76 -2.98 121.20 125.39 1tuy s ILE 380 Ca 0.16 -0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.25 1tuy s ILE 380 Cb -0.21 -3.06 -0.09 0.00 0.01 0.00 0.00 42.46 39.10 1tuy s ILE 380 CO -0.03 0.26 1.36 -2.84 0.00 0.00 0.00 174.94 173.69 1tuy s PRO 381 N 1.60 4.01 0.52 2.79 0.02 -1.26 -4.23 135.00 138.44 1tuy s PRO 381 Ca 0.06 2.30 -0.07 0.00 0.02 0.00 0.00 61.00 63.30 1tuy s PRO 381 Cb -0.16 -2.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 1tuy s PRO 381 CO 0.04 -0.51 0.86 -0.08 -0.33 0.00 0.00 177.00 176.98 1tuy s THR 382 N -1.20 4.84 -0.40 0.99 -1.32 -1.26 -4.88 115.64 112.41 1tuy s THR 382 Ca 0.55 0.44 0.09 0.00 -1.21 0.00 0.00 61.69 61.56 1tuy s THR 382 Cb -0.41 -3.86 0.28 0.00 -1.51 0.00 0.00 72.50 67.00 1tuy s THR 382 CO 0.54 -0.91 0.63 -3.20 -2.21 0.00 0.00 174.62 169.47 1tuy n ASN 383 N -2.32 -0.08 0.24 8.08 2.85 -1.26 -4.97 115.26 117.80 1tuy n ASN 383 Ca 0.02 -2.87 0.09 0.00 -0.11 0.00 0.00 54.58 51.72 1tuy n ASN 383 Cb 0.55 -0.29 0.65 0.00 1.24 0.00 0.00 39.78 41.93 1tuy n ASN 383 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1tuy h GLU 384 N 3.72 0.00 -0.05 1.20 5.08 -1.95 -3.02 114.58 119.57 1tuy h GLU 384 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1tuy h GLU 384 Cb 0.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 1tuy h GLU 384 CO 0.44 0.00 -0.06 0.93 -1.00 0.00 0.00 179.01 179.32 1tuy h GLU 385 N 0.00 0.13 -0.13 2.33 3.07 -1.99 -1.76 114.58 116.23 1tuy h GLU 385 Ca 0.02 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1tuy h GLU 385 Cb 0.08 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1tuy h GLU 385 CO -0.00 0.61 -0.02 1.25 -1.40 0.00 0.00 179.01 179.45 1tuy h LEU 386 N -0.35 0.17 -0.05 1.33 5.85 -1.96 0.42 115.31 120.72 1tuy h LEU 386 Ca 0.01 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1tuy h LEU 386 Cb 0.60 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1tuy h LEU 386 CO 0.01 0.23 -0.01 0.00 -0.34 0.00 0.00 178.44 178.33 1tuy h ALA 387 N 1.80 0.07 -0.58 1.25 0.00 -1.43 -0.69 119.26 119.67 1tuy h ALA 387 Ca 0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1tuy h ALA 387 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1tuy h ALA 387 CO 0.01 -0.23 0.10 0.82 0.00 0.00 0.00 179.25 179.95 1tuy h ILE 388 N -0.25 1.26 -0.28 0.00 2.04 -0.89 -2.21 117.51 117.18 1tuy h ILE 388 Ca 0.01 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 64.95 1tuy h ILE 388 Cb 0.40 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1tuy h ILE 388 CO 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 178.15 178.48 1tuy h ALA 389 N 1.01 0.21 -0.45 1.87 0.00 -0.02 0.19 119.26 122.08 1tuy h ALA 389 Ca 0.18 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1tuy h ALA 389 Cb 0.41 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1tuy h ALA 389 CO 0.01 -0.44 0.27 0.00 0.00 0.00 0.00 179.25 179.09 1tuy h ARG 390 N 0.04 0.53 -0.02 0.00 3.08 -0.94 -0.70 114.38 116.37 1tuy h ARG 390 Ca 0.13 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1tuy h ARG 390 Cb 0.19 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1tuy h ARG 390 CO -0.25 0.35 -0.11 0.93 -1.07 0.00 0.00 179.97 179.82 1tuy h GLU 391 N 0.55 -0.17 -0.02 0.04 4.39 -0.79 -1.40 114.58 117.17 1tuy h GLU 391 Ca 0.18 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.93 1tuy h GLU 391 Cb 0.00 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 1tuy h GLU 391 CO -0.08 -0.11 -0.28 1.15 -1.16 0.00 0.00 179.01 178.53 1tuy h THR 392 N -0.18 0.37 -0.37 1.13 2.02 -0.25 -1.45 112.91 114.18 1tuy h THR 392 Ca 0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.30 1tuy h THR 392 Cb 0.24 0.37 -0.08 0.00 -1.74 0.00 0.00 68.15 66.93 1tuy h THR 392 CO -0.12 0.00 -0.14 0.50 0.37 0.00 0.00 175.52 176.13 1tuy h LYS 393 N -0.41 -0.06 0.04 6.66 3.64 -0.92 -1.64 116.57 123.88 1tuy h LYS 393 Ca 0.07 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1tuy h LYS 393 Cb 0.51 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1tuy h LYS 393 CO -0.26 -0.04 -0.24 1.49 -2.27 0.00 0.00 179.45 178.12 1tuy h GLU 394 N -0.07 -0.39 0.47 1.90 4.57 -0.84 0.23 114.58 120.47 1tuy h GLU 394 Ca 0.18 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1tuy h GLU 394 Cb 0.35 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1tuy h GLU 394 CO -0.42 -0.26 -0.48 0.82 -1.18 0.00 0.00 179.01 177.49 1tuy h ILE 395 N -0.40 0.05 -0.05 2.32 1.08 -0.94 -1.54 117.51 118.04 1tuy h ILE 395 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 1tuy h ILE 395 Cb 0.46 0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1tuy h ILE 395 CO -0.19 0.00 0.02 0.58 -0.69 0.00 0.00 178.15 177.86 1tuy h VAL 396 N -0.96 0.99 -0.56 1.67 2.07 -1.21 -3.03 116.25 115.21 1tuy h VAL 396 Ca -0.05 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1tuy h VAL 396 Cb 0.84 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 1tuy h VAL 396 CO -0.07 0.01 0.25 -0.33 0.02 0.00 0.00 177.57 177.44 1tuy h GLU 397 N 0.04 0.45 -1.69 1.57 5.08 -0.49 -2.09 114.58 117.45 1tuy h GLU 397 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tuy h GLU 397 Cb 0.01 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1tuy h GLU 397 CO -0.02 0.29 0.00 -2.37 -1.00 0.00 0.00 179.01 175.91 1tuy n THR 398 N -4.94 1.58 -0.72 1.13 5.66 -0.58 -5.09 114.28 111.32 1tuy n THR 398 Ca 0.07 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1tuy n THR 398 Cb 0.21 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 67.68 1tuy n THR 398 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40