#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ita s GLU 7 N 0.00 4.25 0.23 5.55 -6.30 -1.26 -4.96 118.70 116.21 3ita s GLU 7 Ca 0.00 1.59 -0.31 0.00 -2.50 0.00 0.00 54.97 53.75 3ita s GLU 7 Cb 0.00 -3.71 -0.11 0.00 0.00 0.00 0.00 34.13 30.31 3ita s GLU 7 CO 0.00 -0.66 1.60 0.00 0.02 0.00 0.00 175.26 176.22 3ita s ALA 8 N 3.27 3.79 0.58 6.30 0.00 -1.26 -4.96 121.76 129.48 3ita s ALA 8 Ca 0.52 1.48 -0.19 0.00 0.00 0.00 0.00 51.96 53.77 3ita s ALA 8 Cb -0.21 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 3ita s ALA 8 CO 0.14 -0.87 1.18 -1.25 0.00 0.00 0.00 175.76 174.96 3ita s PRO 9 N 0.42 3.10 -0.05 0.00 0.04 -1.26 -5.01 135.00 132.24 3ita s PRO 9 Ca 0.68 1.76 -0.13 0.00 0.04 0.00 0.00 61.00 63.34 3ita s PRO 9 Cb -0.46 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3ita s PRO 9 CO 0.38 -1.09 0.34 0.45 0.04 0.00 0.00 177.00 177.12 3ita s SER 10 N -1.64 6.66 -0.00 6.66 0.15 -1.26 -4.96 113.70 119.30 3ita s SER 10 Ca 0.76 0.79 0.02 0.00 0.70 0.00 0.00 55.95 58.21 3ita s SER 10 Cb -0.28 -2.20 -0.00 0.00 -1.71 0.00 0.00 66.02 61.82 3ita s SER 10 CO 0.31 0.30 -0.05 0.68 1.20 0.00 0.00 173.24 175.68 3ita s VAL 11 N -0.78 0.39 -1.07 4.45 -7.23 -1.26 -5.06 120.40 109.85 3ita s VAL 11 Ca 0.21 -0.23 -0.12 0.00 -1.81 0.00 0.00 61.98 60.03 3ita s VAL 11 Cb -0.15 -0.34 0.23 0.00 0.56 0.00 0.00 36.38 36.68 3ita s VAL 11 CO 0.10 0.10 1.13 -0.62 -0.31 0.00 0.00 175.10 175.50 3ita s ASP 12 N -0.14 7.09 0.08 4.85 2.15 -1.26 -4.92 116.67 124.52 3ita s ASP 12 Ca 0.02 -3.12 -0.27 0.00 0.43 0.00 0.00 52.55 49.61 3ita s ASP 12 Cb -0.02 -2.28 0.08 0.00 -0.30 0.00 0.00 42.92 40.40 3ita s ASP 12 CO -0.00 -0.54 0.89 0.00 -0.17 0.00 0.00 175.17 175.35 3ita s ALA 13 N 0.12 -1.72 0.23 3.66 0.00 -1.26 -4.57 121.76 118.22 3ita s ALA 13 Ca 0.32 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.83 3ita s ALA 13 Cb -0.08 0.55 0.23 0.00 0.00 0.00 0.00 23.12 23.83 3ita s ALA 13 CO -0.06 -0.84 1.72 0.00 0.00 0.00 0.00 175.76 176.58 3ita h ARG 14 N 2.00 0.91 -2.80 0.00 3.08 -1.23 -3.46 114.38 112.88 3ita h ARG 14 Ca -0.24 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.48 3ita h ARG 14 Cb 1.24 -0.10 -0.17 0.00 0.08 0.00 0.00 29.97 31.03 3ita h ARG 14 CO 0.29 0.90 -0.02 0.00 -1.07 0.00 0.00 179.97 180.07 3ita s ALA 15 N -5.02 -1.23 0.24 0.04 0.00 -0.86 -4.67 121.76 110.26 3ita s ALA 15 Ca -0.10 0.55 -0.20 0.00 0.00 0.00 0.00 51.96 52.21 3ita s ALA 15 Cb 0.14 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.60 3ita s ALA 15 CO 0.83 -0.46 0.64 1.67 0.00 0.00 0.00 175.76 178.45 3ita s TRP 16 N -2.24 -0.21 -0.03 0.00 -2.14 -0.26 -0.77 118.94 113.27 3ita s TRP 16 Ca -0.06 -0.17 -0.30 0.00 2.66 0.00 0.00 56.10 58.23 3ita s TRP 16 Cb -0.01 0.59 0.08 0.00 -3.10 0.00 0.00 33.47 31.02 3ita s TRP 16 CO -0.00 -1.08 0.70 -1.50 -2.66 0.00 0.00 176.95 172.41 3ita s ILE 17 N -3.88 0.00 -0.05 0.66 2.07 -0.75 -1.29 121.20 117.95 3ita s ILE 17 Ca 0.09 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.34 3ita s ILE 17 Cb -0.04 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.57 3ita s ILE 17 CO 0.01 0.00 -0.06 -0.22 -1.91 0.00 0.00 174.94 172.76 3ita s LEU 18 N -1.42 1.35 -0.00 8.50 2.96 -0.13 -1.26 118.68 128.69 3ita s LEU 18 Ca -0.08 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 3ita s LEU 18 Cb -0.00 -0.53 0.00 0.00 0.50 0.00 0.00 46.19 46.16 3ita s LEU 18 CO 0.06 -0.05 -0.01 -0.32 -1.32 0.00 0.00 176.35 174.71 3ita s MET 19 N 0.94 0.11 0.08 1.98 -2.45 -0.11 -0.64 119.30 119.20 3ita s MET 19 Ca -0.11 -0.03 -0.29 0.00 -1.25 0.00 0.00 55.69 54.01 3ita s MET 19 Cb -0.14 -0.12 -0.05 0.00 1.25 0.00 0.00 34.83 35.76 3ita s MET 19 CO 0.00 0.02 0.91 0.34 1.05 0.00 0.00 175.02 177.34 3ita s ASP 20 N 0.04 7.40 0.08 1.11 -1.08 0.09 -0.72 116.67 123.60 3ita s ASP 20 Ca -0.00 1.68 -0.19 0.00 -0.52 0.00 0.00 52.55 53.52 3ita s ASP 20 Cb -0.01 -2.55 -0.08 0.00 -1.46 0.00 0.00 42.92 38.81 3ita s ASP 20 CO -0.00 -0.07 1.54 0.22 0.52 0.00 0.00 175.17 177.38 3ita h TYR 21 N 5.75 0.44 -0.18 -5.34 3.20 -1.44 0.92 116.97 120.32 3ita h TYR 21 Ca -0.43 -0.07 -0.20 0.00 3.14 0.00 0.00 58.73 61.17 3ita h TYR 21 Cb 1.21 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.37 3ita h TYR 21 CO 0.65 0.56 -0.69 0.00 -1.64 0.00 0.00 178.16 177.04 3ita h ALA 22 N 0.83 0.44 0.00 1.82 0.00 -1.94 -3.34 119.26 117.07 3ita h ALA 22 Ca 0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3ita h ALA 22 Cb 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ita h ALA 22 CO 0.01 0.70 -2.01 -1.13 0.00 0.00 0.00 179.25 176.82 3ita n SER 23 N -3.94 0.13 0.00 0.00 3.41 -1.24 -4.61 113.62 107.37 3ita n SER 23 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3ita n SER 23 Cb 0.70 1.89 0.00 0.00 -0.26 0.00 0.00 64.21 66.53 3ita n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ita n GLY 24 N 1.34 0.59 3.73 5.00 0.00 0.32 -4.97 105.19 111.20 3ita n GLY 24 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3ita n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ita s LYS 25 N -0.37 4.24 -0.35 1.61 2.20 -1.25 -4.63 119.74 121.20 3ita s LYS 25 Ca 0.00 2.32 -0.23 0.00 -0.36 0.00 0.00 55.97 57.70 3ita s LYS 25 Cb 0.00 -3.14 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 3ita s LYS 25 CO 0.00 -0.51 0.79 0.08 -0.36 0.00 0.00 175.35 175.34 3ita s VAL 26 N 0.61 4.75 -0.09 4.02 1.01 -1.26 -0.73 120.40 128.70 3ita s VAL 26 Ca 0.65 0.96 0.15 0.00 0.00 0.00 0.00 61.98 63.73 3ita s VAL 26 Cb -0.42 -4.20 -0.12 0.00 0.00 0.00 0.00 36.38 31.63 3ita s VAL 26 CO 0.37 -0.39 0.95 -0.07 0.00 0.00 0.00 175.10 175.96 3ita h LEU 27 N 9.68 0.00 -7.00 3.92 3.38 -1.24 -3.49 115.31 120.56 3ita h LEU 27 Ca -0.25 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3ita h LEU 27 Cb 1.09 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.65 3ita h LEU 27 CO 0.91 0.68 0.38 0.00 0.09 0.00 0.00 178.44 180.49 3ita s ALA 28 N -2.85 -1.83 -0.15 1.53 0.00 -1.21 -4.99 121.76 112.25 3ita s ALA 28 Ca -0.02 1.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.99 3ita s ALA 28 Cb 0.08 -0.20 0.13 0.00 0.00 0.00 0.00 23.12 23.13 3ita s ALA 28 CO 0.80 -0.41 1.00 -1.83 0.00 0.00 0.00 175.76 175.33 3ita s GLU 29 N -1.54 0.59 -0.17 0.00 -1.05 -1.26 -0.95 118.70 114.33 3ita s GLU 29 Ca -0.05 0.10 -0.07 0.00 -0.15 0.00 0.00 54.97 54.80 3ita s GLU 29 Cb -0.00 0.28 0.07 0.00 -0.44 0.00 0.00 34.13 34.04 3ita s GLU 29 CO 0.03 -0.19 0.37 0.20 0.95 0.00 0.00 175.26 176.62 3ita s GLY 30 N -1.26 -0.29 -1.57 -3.83 0.00 -0.41 -4.93 107.32 95.04 3ita s GLY 30 Ca -0.01 1.37 -0.15 0.00 0.00 0.00 0.00 44.72 45.94 3ita s GLY 30 CO 0.00 1.95 0.82 0.70 0.00 0.00 0.00 173.10 176.57 3ita n ASN 31 N 4.83 -4.07 -0.00 1.64 5.03 -1.26 -1.11 115.26 120.32 3ita n ASN 31 Ca -0.16 -0.80 0.16 0.00 0.87 0.00 0.00 54.58 54.65 3ita n ASN 31 Cb 0.52 -3.30 0.91 0.00 -1.02 0.00 0.00 39.78 36.89 3ita n ASN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ita n ALA 32 N -4.35 2.65 -0.07 5.41 0.00 -1.26 -2.09 120.51 120.79 3ita n ALA 32 Ca 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.33 3ita n ALA 32 Cb 0.51 -1.51 0.07 0.00 0.00 0.00 0.00 19.45 18.52 3ita n ALA 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ita n ASP 33 N -1.05 2.40 -4.71 0.00 8.00 -1.26 -1.56 116.55 118.37 3ita n ASP 33 Ca 0.22 -1.97 -0.41 0.00 0.71 0.00 0.00 54.79 53.34 3ita n ASP 33 Cb 0.14 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.10 3ita n ASP 33 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ita s GLU 34 N -0.98 4.48 -0.25 -1.24 2.12 -0.89 -4.96 118.70 116.98 3ita s GLU 34 Ca 0.11 1.19 -0.29 0.00 0.36 0.00 0.00 54.97 56.34 3ita s GLU 34 Cb 0.06 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 3ita s GLU 34 CO 0.07 -0.07 1.33 0.15 -0.54 0.00 0.00 175.26 176.21 3ita s LYS 35 N 1.15 4.00 0.21 4.30 1.02 -1.26 -4.52 119.74 124.65 3ita s LYS 35 Ca 0.45 1.43 0.01 0.00 0.02 0.00 0.00 55.97 57.88 3ita s LYS 35 Cb -0.19 -3.86 -0.05 0.00 -0.52 0.00 0.00 37.83 33.21 3ita s LYS 35 CO 0.22 -1.01 0.07 -0.51 -0.92 0.00 0.00 175.35 173.20 3ita s LEU 36 N 4.19 1.74 -0.12 3.17 1.43 -0.30 -4.93 118.68 123.86 3ita s LEU 36 Ca 0.58 -1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 3ita s LEU 36 Cb -0.19 0.07 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 3ita s LEU 36 CO 0.21 -0.69 1.04 -0.62 0.23 0.00 0.00 176.35 176.52 3ita s ASP 37 N -3.23 7.19 0.40 2.29 2.15 -1.26 -1.27 116.67 122.94 3ita s ASP 37 Ca 0.32 1.55 0.21 0.00 0.43 0.00 0.00 52.55 55.07 3ita s ASP 37 Cb 0.07 -2.55 0.40 0.00 -0.30 0.00 0.00 42.92 40.54 3ita s ASP 37 CO 0.09 -0.50 1.61 1.55 -0.17 0.00 0.00 175.17 177.75 3ita h PRO 38 N 7.21 0.00 0.00 4.34 0.13 -1.90 -3.46 132.00 138.33 3ita h PRO 38 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3ita h PRO 38 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3ita h PRO 38 CO 0.88 0.19 0.00 0.00 -0.23 0.00 0.00 178.00 178.84 3ita n ALA 39 N -2.15 0.00 0.37 -0.56 0.00 -1.26 -1.68 120.51 115.23 3ita n ALA 39 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.54 3ita n ALA 39 Cb 0.57 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.34 3ita n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ita n SER 40 N 2.34 0.21 0.19 0.00 7.64 -1.26 -1.78 113.62 120.96 3ita n SER 40 Ca 0.00 0.56 0.18 0.00 1.01 0.00 0.00 58.87 60.62 3ita n SER 40 Cb 0.00 -0.60 0.82 0.00 -1.01 0.00 0.00 64.21 63.41 3ita n SER 40 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3ita h LEU 41 N 0.00 0.00 -1.34 -3.43 3.38 -1.47 -0.95 115.31 111.50 3ita h LEU 41 Ca 0.00 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.24 3ita h LEU 41 Cb 0.22 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 3ita h LEU 41 CO 0.00 0.00 0.67 0.74 0.09 0.00 0.00 178.44 179.94 3ita h THR 42 N 0.00 0.52 0.00 0.22 2.02 -1.53 -0.72 112.91 113.42 3ita h THR 42 Ca 0.11 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3ita h THR 42 Cb 0.64 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3ita h THR 42 CO -0.00 0.07 0.00 0.29 0.37 0.00 0.00 175.52 176.25 3ita n LYS 43 N -4.64 0.02 -0.22 6.66 5.02 -0.36 -1.02 118.16 123.61 3ita n LYS 43 Ca 0.25 0.27 -0.07 0.00 -2.02 0.00 0.00 58.31 56.74 3ita n LYS 43 Cb 0.87 -1.54 0.03 0.00 -0.02 0.00 0.00 35.03 34.38 3ita n LYS 43 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3ita h ILE 44 N 0.00 1.23 -0.26 -0.18 2.04 -1.28 -0.62 117.51 118.45 3ita h ILE 44 Ca 0.00 -0.70 -0.18 0.00 1.00 0.00 0.00 64.86 64.97 3ita h ILE 44 Cb 0.26 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3ita h ILE 44 CO 0.00 0.28 -0.57 -0.03 0.00 0.00 0.00 178.15 177.83 3ita h MET 45 N 0.87 0.80 -0.61 2.37 4.05 -1.23 -0.40 114.93 120.79 3ita h MET 45 Ca 0.21 -0.52 0.09 0.00 -0.28 0.00 0.00 59.70 59.20 3ita h MET 45 Cb 0.18 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 30.98 3ita h MET 45 CO -0.02 1.15 0.23 1.15 0.23 0.00 0.00 176.91 179.65 3ita h THR 46 N 0.61 0.77 -0.15 -0.77 2.02 -1.29 -0.57 112.91 113.54 3ita h THR 46 Ca 0.01 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 3ita h THR 46 Cb 1.17 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3ita h THR 46 CO 0.12 0.07 -0.38 0.28 0.37 0.00 0.00 175.52 175.99 3ita h SER 47 N 0.41 0.32 -0.53 4.18 0.02 -0.95 -2.02 113.55 114.98 3ita h SER 47 Ca 0.30 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3ita h SER 47 Cb 0.37 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3ita h SER 47 CO -0.30 0.68 0.34 0.22 -1.14 0.00 0.00 176.83 176.62 3ita h TYR 48 N 0.27 0.67 -0.08 3.45 3.20 -0.10 0.18 116.97 124.56 3ita h TYR 48 Ca 0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3ita h TYR 48 Cb 0.79 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 3ita h TYR 48 CO 0.02 0.44 -0.00 0.28 -1.64 0.00 0.00 178.16 177.26 3ita h VAL 49 N 0.71 1.25 -0.70 1.81 2.07 -0.97 -1.48 116.25 118.93 3ita h VAL 49 Ca 0.19 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.99 3ita h VAL 49 Cb -0.06 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3ita h VAL 49 CO -0.04 0.22 0.40 0.58 0.02 0.00 0.00 177.57 178.75 3ita h VAL 50 N -0.15 0.97 -0.27 2.57 2.07 -1.29 -0.44 116.25 119.70 3ita h VAL 50 Ca 0.02 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3ita h VAL 50 Cb 0.34 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3ita h VAL 50 CO 0.00 0.13 0.06 1.23 0.02 0.00 0.00 177.57 179.01 3ita h GLY 51 N 0.72 0.42 1.08 2.17 0.00 -0.47 -0.23 103.07 106.76 3ita h GLY 51 Ca 0.32 -0.20 -0.19 0.00 0.00 0.00 0.00 47.33 47.25 3ita h GLY 51 CO -0.19 0.19 -0.64 1.46 0.00 0.00 0.00 176.54 177.36 3ita h GLN 52 N 0.38 0.73 -0.90 4.80 1.08 -0.38 0.14 115.11 120.96 3ita h GLN 52 Ca 0.09 -0.56 0.01 0.00 -1.45 0.00 0.00 58.65 56.74 3ita h GLN 52 Cb 0.17 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 3ita h GLN 52 CO -0.00 1.18 0.60 0.00 -0.95 0.00 0.00 178.83 179.66 3ita h ALA 53 N 0.56 1.15 -0.16 3.87 0.00 -0.51 0.19 119.26 124.34 3ita h ALA 53 Ca -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3ita h ALA 53 Cb 1.27 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3ita h ALA 53 CO 0.14 0.54 0.01 -0.07 0.00 0.00 0.00 179.25 179.86 3ita h LEU 54 N 1.22 0.28 -1.22 0.00 3.38 -0.99 -0.95 115.31 117.02 3ita h LEU 54 Ca 0.33 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ita h LEU 54 Cb -0.13 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3ita h LEU 54 CO -0.08 0.50 0.16 0.50 0.09 0.00 0.00 178.44 179.62 3ita h LYS 55 N 0.05 0.70 -0.01 1.13 3.64 -0.60 -1.54 116.57 119.94 3ita h LYS 55 Ca 0.05 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3ita h LYS 55 Cb 0.35 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3ita h LYS 55 CO 0.01 0.60 0.00 0.00 -2.27 0.00 0.00 179.45 177.79 3ita n ALA 56 N -2.46 2.64 -2.77 5.00 0.00 0.02 -4.92 120.51 118.03 3ita n ALA 56 Ca 0.04 -0.20 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 3ita n ALA 56 Cb 0.18 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.25 3ita n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ita n ASP 57 N -0.78 -5.86 0.08 0.00 2.03 -0.58 -4.90 116.55 106.54 3ita n ASP 57 Ca 0.19 -0.16 0.05 0.00 0.52 0.00 0.00 54.79 55.39 3ita n ASP 57 Cb 0.12 -4.80 -0.03 0.00 -0.72 0.00 0.00 41.12 35.69 3ita n ASP 57 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3ita h LYS 58 N -0.77 0.00 -4.67 -0.67 1.79 -1.40 -3.47 116.57 107.38 3ita h LYS 58 Ca -0.50 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 57.72 3ita h LYS 58 Cb 1.36 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.86 3ita h LYS 58 CO 0.57 0.18 -0.68 0.96 -1.08 0.00 0.00 179.45 179.40 3ita s ILE 59 N -3.11 0.61 0.17 1.86 -4.36 -1.14 -5.02 121.20 110.20 3ita s ILE 59 Ca -0.01 -1.95 0.08 0.00 -0.26 0.00 0.00 60.65 58.51 3ita s ILE 59 Cb 0.09 -1.90 -0.04 0.00 1.25 0.00 0.00 42.46 41.86 3ita s ILE 59 CO 0.79 -0.67 -0.17 -0.54 0.24 0.00 0.00 174.94 174.60 3ita s LYS 60 N -3.89 1.24 0.56 0.37 1.02 -1.26 -4.41 119.74 113.37 3ita s LYS 60 Ca 0.18 -1.42 0.25 0.00 0.02 0.00 0.00 55.97 55.01 3ita s LYS 60 Cb 0.06 -1.22 1.52 0.00 -0.52 0.00 0.00 37.83 37.67 3ita s LYS 60 CO -0.01 0.24 2.08 -0.07 -0.92 0.00 0.00 175.35 176.67 3ita h LEU 61 N 3.15 0.00 0.00 3.17 3.38 -1.97 -1.56 115.31 121.49 3ita h LEU 61 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3ita h LEU 61 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ita h LEU 61 CO 0.53 0.00 -0.29 0.35 0.09 0.00 0.00 178.44 179.12 3ita n THR 62 N -4.09 0.01 -1.82 0.22 -2.24 -1.26 -1.37 114.28 103.72 3ita n THR 62 Ca 0.03 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 3ita n THR 62 Cb 0.35 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.50 3ita n THR 62 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ita s ASP 63 N -3.03 6.38 -0.19 3.42 1.01 -0.59 -4.79 116.67 118.88 3ita s ASP 63 Ca 0.12 3.00 -0.14 0.00 0.71 0.00 0.00 52.55 56.24 3ita s ASP 63 Cb 0.18 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3ita s ASP 63 CO 0.63 -0.85 0.33 -0.04 0.21 0.00 0.00 175.17 175.44 3ita s MET 64 N -1.77 4.19 -0.16 8.23 -1.94 -1.26 -0.71 119.30 125.88 3ita s MET 64 Ca 0.54 0.09 -0.07 0.00 -1.71 0.00 0.00 55.69 54.55 3ita s MET 64 Cb -0.46 -3.50 -0.04 0.00 2.01 0.00 0.00 34.83 32.84 3ita s MET 64 CO 0.60 0.08 0.07 0.08 -0.01 0.00 0.00 175.02 175.83 3ita s VAL 65 N 0.97 4.91 -0.14 -6.03 1.01 0.81 -4.90 120.40 117.03 3ita s VAL 65 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.90 3ita s VAL 65 Cb -0.14 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 3ita s VAL 65 CO 0.06 0.50 0.79 -0.89 0.00 0.00 0.00 175.10 175.56 3ita s THR 66 N -0.02 4.93 0.05 3.92 2.01 -1.26 -0.94 115.64 124.34 3ita s THR 66 Ca 0.07 1.56 -0.30 0.00 0.31 0.00 0.00 61.69 63.32 3ita s THR 66 Cb -0.12 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 3ita s THR 66 CO 0.01 0.09 1.06 -0.69 -0.69 0.00 0.00 174.62 174.40 3ita s VAL 67 N 1.78 4.45 0.49 3.82 1.01 0.12 -4.93 120.40 127.13 3ita s VAL 67 Ca 0.38 1.82 0.08 0.00 0.00 0.00 0.00 61.98 64.26 3ita s VAL 67 Cb -0.17 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.09 3ita s VAL 67 CO 0.14 0.18 0.62 -0.83 0.00 0.00 0.00 175.10 175.21 3ita s GLY 68 N 0.79 1.92 0.57 4.51 0.00 -1.26 -0.97 107.32 112.87 3ita s GLY 68 Ca 0.53 -1.86 0.29 0.00 0.00 0.00 0.00 44.72 43.69 3ita s GLY 68 CO 0.29 -1.64 2.20 0.50 0.00 0.00 0.00 173.10 174.45 3ita h LYS 69 N 0.51 0.00 0.00 2.90 1.57 -1.96 -2.03 116.57 117.56 3ita h LYS 69 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3ita h LYS 69 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3ita h LYS 69 CO 0.46 0.04 0.00 -0.40 -0.57 0.00 0.00 179.45 178.98 3ita n ASP 70 N -3.74 0.69 -2.21 0.86 3.85 -1.26 -3.55 116.55 111.19 3ita n ASP 70 Ca -0.03 0.67 -0.24 0.00 -0.71 0.00 0.00 54.79 54.48 3ita n ASP 70 Cb 0.14 -0.82 0.18 0.00 -1.35 0.00 0.00 41.12 39.27 3ita n ASP 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ita n ALA 71 N -1.78 5.61 -3.68 2.12 0.00 -0.76 -4.69 120.51 117.33 3ita n ALA 71 Ca 0.02 -2.92 -0.15 0.00 0.00 0.00 0.00 53.44 50.39 3ita n ALA 71 Cb 0.24 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 18.10 3ita n ALA 71 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ita s TRP 72 N -3.32 -0.26 0.25 0.00 -0.00 -1.23 -4.50 118.94 109.88 3ita s TRP 72 Ca 0.57 0.72 -0.05 0.00 -0.00 0.00 0.00 56.10 57.34 3ita s TRP 72 Cb 0.48 -0.16 0.30 0.00 -0.00 0.00 0.00 33.47 34.09 3ita s TRP 72 CO 0.10 -0.28 1.91 0.00 -0.00 0.00 0.00 176.95 178.67 3ita h ALA 73 N 8.17 1.28 -0.79 5.86 0.00 -1.86 0.27 119.26 132.19 3ita h ALA 73 Ca -0.18 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.79 3ita h ALA 73 Cb 1.12 -0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3ita h ALA 73 CO 0.18 0.55 0.42 1.15 0.00 0.00 0.00 179.25 181.55 3ita h THR 74 N 1.25 0.84 -0.20 0.00 2.02 -1.96 -3.06 112.91 111.80 3ita h THR 74 Ca 0.38 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.33 3ita h THR 74 Cb -0.03 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 3ita h THR 74 CO -0.11 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.51 3ita n GLY 75 N -1.32 0.75 2.85 2.16 0.00 0.64 -4.72 105.19 105.56 3ita n GLY 75 Ca 0.14 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 3ita n GLY 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ita s ASN 76 N -1.64 0.79 0.44 1.61 3.84 0.60 -4.56 114.94 116.02 3ita s ASN 76 Ca 0.34 -0.84 0.13 0.00 0.21 0.00 0.00 52.86 52.70 3ita s ASN 76 Cb 0.20 0.86 1.02 0.00 -0.55 0.00 0.00 41.25 42.78 3ita s ASN 76 CO 0.29 -0.32 2.01 -0.65 -2.79 0.00 0.00 177.10 175.64 3ita h PRO 77 N 7.80 0.39 -0.22 0.43 0.11 -1.85 -0.09 132.00 138.57 3ita h PRO 77 Ca -0.05 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.10 3ita h PRO 77 Cb 1.09 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3ita h PRO 77 CO 0.25 0.26 0.21 0.00 -0.21 0.00 0.00 178.00 178.50 3ita h ALA 78 N 1.73 1.95 0.00 -0.75 0.00 -1.96 -2.64 119.26 117.59 3ita h ALA 78 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ita h ALA 78 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ita h ALA 78 CO -0.06 -0.32 -0.33 -0.07 0.00 0.00 0.00 179.25 178.47 3ita h LEU 79 N 0.00 0.00 -9.44 0.00 3.38 -1.30 -3.45 115.31 104.50 3ita h LEU 79 Ca 0.10 -0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.51 3ita h LEU 79 Cb 0.51 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.29 3ita h LEU 79 CO -0.00 0.02 1.12 -0.13 0.09 0.00 0.00 178.44 179.54 3ita s ARG 80 N -3.22 4.15 0.00 1.13 0.52 -1.00 -0.52 118.95 120.02 3ita s ARG 80 Ca 0.06 2.53 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 3ita s ARG 80 Cb 0.09 -3.78 0.00 0.00 0.52 0.00 0.00 34.95 31.78 3ita s ARG 80 CO 0.69 -0.86 0.00 0.41 0.02 0.00 0.00 175.30 175.57 3ita n GLY 81 N 4.27 3.24 3.73 -3.53 0.00 -1.26 -5.05 105.19 106.59 3ita n GLY 81 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3ita n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ita s SER 82 N -0.91 4.51 0.21 1.61 0.01 0.33 -4.97 113.70 114.48 3ita s SER 82 Ca 0.00 2.48 -0.32 0.00 1.31 0.00 0.00 55.95 59.42 3ita s SER 82 Cb 0.00 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.50 3ita s SER 82 CO 0.00 -2.06 1.62 -1.54 0.41 0.00 0.00 173.24 171.67 3ita n SER 83 N -2.21 3.52 -3.80 2.44 3.41 -1.26 -4.95 113.62 110.77 3ita n SER 83 Ca 0.15 1.09 -0.09 0.00 -0.26 0.00 0.00 58.87 59.75 3ita n SER 83 Cb 0.49 -1.51 -0.07 0.00 -0.26 0.00 0.00 64.21 62.86 3ita n SER 83 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3ita s VAL 84 N 0.76 0.12 -1.39 -3.33 -7.23 -1.26 -1.31 120.40 106.76 3ita s VAL 84 Ca 0.74 -0.99 0.29 0.00 -1.81 0.00 0.00 61.98 60.21 3ita s VAL 84 Cb -0.58 -1.23 0.41 0.00 0.56 0.00 0.00 36.38 35.54 3ita s VAL 84 CO 0.39 -0.55 1.92 0.23 -0.31 0.00 0.00 175.10 176.78 3ita n MET 85 N 0.03 0.41 -3.29 4.82 2.81 -1.26 -4.94 117.12 115.70 3ita n MET 85 Ca -0.16 -0.08 -0.16 0.00 -1.81 0.00 0.00 57.70 55.49 3ita n MET 85 Cb 0.62 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.70 3ita n MET 85 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3ita n PHE 86 N -1.23 -2.41 -3.09 2.03 3.01 -1.26 -4.98 117.46 109.53 3ita n PHE 86 Ca 0.12 0.86 -0.34 0.00 1.01 0.00 0.00 57.45 59.10 3ita n PHE 86 Cb 0.28 -4.23 -0.06 0.00 -0.01 0.00 0.00 39.48 35.45 3ita n PHE 86 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3ita s LEU 87 N -5.56 4.15 0.12 4.37 1.43 -1.26 -5.10 118.68 116.83 3ita s LEU 87 Ca 0.40 1.37 0.10 0.00 -1.03 0.00 0.00 54.13 54.97 3ita s LEU 87 Cb -0.06 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 3ita s LEU 87 CO 0.74 -0.14 -0.25 -0.54 0.23 0.00 0.00 176.35 176.40 3ita s LYS 88 N -2.64 1.32 0.32 1.70 1.02 -1.26 -4.60 119.74 115.59 3ita s LYS 88 Ca 0.51 -1.27 -0.29 0.00 0.02 0.00 0.00 55.97 54.93 3ita s LYS 88 Cb -0.12 -1.73 -0.11 0.00 -0.52 0.00 0.00 37.83 35.34 3ita s LYS 88 CO 0.18 0.41 1.56 -2.30 -0.92 0.00 0.00 175.35 174.28 3ita n PRO 89 N 1.01 2.69 0.00 -1.68 -0.02 -1.26 -0.97 135.00 134.77 3ita n PRO 89 Ca -0.18 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3ita n PRO 89 Cb 0.53 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3ita n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ita n GLY 90 N 1.62 3.01 3.61 -1.23 0.00 -0.15 -4.98 105.19 107.07 3ita n GLY 90 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3ita n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ita n ASP 91 N 0.24 1.33 -4.52 1.61 8.00 -0.14 -4.66 116.55 118.40 3ita n ASP 91 Ca 0.00 1.09 -0.34 0.00 0.71 0.00 0.00 54.79 56.25 3ita n ASP 91 Cb 0.00 -1.34 -0.12 0.00 -0.02 0.00 0.00 41.12 39.64 3ita n ASP 91 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ita s GLN 92 N -1.85 3.48 0.00 -1.24 -0.21 -1.26 -0.71 119.66 117.87 3ita s GLN 92 Ca 0.61 -0.52 0.02 0.00 0.02 0.00 0.00 55.36 55.49 3ita s GLN 92 Cb -0.60 -2.84 -0.01 0.00 1.00 0.00 0.00 33.01 30.56 3ita s GLN 92 CO 0.58 0.34 -0.07 0.08 -2.12 0.00 0.00 175.29 174.10 3ita s VAL 93 N 0.10 0.56 0.61 1.09 1.01 -0.11 -4.91 120.40 118.74 3ita s VAL 93 Ca -0.01 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 3ita s VAL 93 Cb -0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 3ita s VAL 93 CO 0.03 0.07 1.14 -0.94 0.00 0.00 0.00 175.10 175.40 3ita s SER 94 N -0.39 5.26 0.23 3.32 1.04 -1.26 -0.13 113.70 121.77 3ita s SER 94 Ca 0.01 2.16 -0.07 0.00 0.48 0.00 0.00 55.95 58.53 3ita s SER 94 Cb -0.04 -2.57 0.35 0.00 0.10 0.00 0.00 66.02 63.86 3ita s SER 94 CO -0.00 -1.53 1.78 0.58 0.98 0.00 0.00 173.24 175.04 3ita h VAL 95 N 0.56 0.84 -0.67 5.02 2.07 -0.91 -1.72 116.25 121.44 3ita h VAL 95 Ca -0.49 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 66.95 3ita h VAL 95 Cb 1.26 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 3ita h VAL 95 CO 0.55 0.11 0.21 0.00 0.02 0.00 0.00 177.57 178.46 3ita h ALA 96 N 1.44 0.86 -0.12 1.67 0.00 -1.50 0.19 119.26 121.81 3ita h ALA 96 Ca 0.36 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 3ita h ALA 96 Cb 0.39 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ita h ALA 96 CO -0.28 -0.25 -0.39 -0.44 0.00 0.00 0.00 179.25 177.90 3ita h ASP 97 N 0.36 0.55 -0.98 0.00 3.32 -1.73 -0.83 116.42 117.11 3ita h ASP 97 Ca 0.35 -0.61 0.07 0.00 0.02 0.00 0.00 57.03 56.87 3ita h ASP 97 Cb 0.52 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.84 3ita h ASP 97 CO -0.39 1.06 0.63 -0.07 -1.72 0.00 0.00 179.24 178.74 3ita h LEU 98 N 0.07 1.00 -0.21 1.55 3.38 -1.02 0.14 115.31 120.20 3ita h LEU 98 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3ita h LEU 98 Cb 1.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3ita h LEU 98 CO 0.08 0.63 -0.02 -1.13 0.09 0.00 0.00 178.44 178.09 3ita h ASN 99 N 1.13 0.38 -0.98 -0.43 -0.00 -0.54 -0.13 115.58 115.02 3ita h ASN 99 Ca 0.42 -0.33 0.05 0.00 -0.00 0.00 0.00 56.30 56.44 3ita h ASN 99 Cb 0.18 -0.10 -0.06 0.00 -0.00 0.00 0.00 38.32 38.34 3ita h ASN 99 CO -0.18 0.62 0.64 0.11 -0.00 0.00 0.00 177.43 178.63 3ita h LYS 100 N 0.13 1.17 -0.89 6.67 1.57 -0.99 -1.83 116.57 122.40 3ita h LYS 100 Ca 0.06 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3ita h LYS 100 Cb 0.44 -0.26 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 3ita h LYS 100 CO 0.01 0.77 0.56 0.78 -0.57 0.00 0.00 179.45 181.00 3ita h GLY 101 N 1.20 1.35 0.69 3.86 0.00 0.09 0.80 103.07 111.06 3ita h GLY 101 Ca 0.40 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3ita h GLY 101 CO -0.14 0.27 -0.02 -2.08 0.00 0.00 0.00 176.54 174.57 3ita h VAL 102 N 1.01 1.30 0.04 4.60 2.07 -0.68 0.15 116.25 124.73 3ita h VAL 102 Ca 0.39 -0.94 -0.13 0.00 0.82 0.00 0.00 66.70 66.83 3ita h VAL 102 Cb 0.18 1.77 0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3ita h VAL 102 CO -0.18 0.26 -0.53 0.40 0.02 0.00 0.00 177.57 177.54 3ita h ILE 103 N -0.19 1.50 0.04 4.57 2.04 -1.04 -2.36 117.51 122.07 3ita h ILE 103 Ca 0.02 -2.18 -0.32 0.00 1.00 0.00 0.00 64.86 63.38 3ita h ILE 103 Cb 0.43 2.85 -0.04 0.00 -0.74 0.00 0.00 36.82 39.31 3ita h ILE 103 CO 0.01 0.62 -1.78 -0.38 0.00 0.00 0.00 178.15 176.61 3ita n ILE 104 N -4.29 1.61 0.82 -0.67 5.41 0.25 -4.37 119.36 118.12 3ita n ILE 104 Ca -0.11 -0.33 0.11 0.00 1.00 0.00 0.00 62.75 63.42 3ita n ILE 104 Cb 0.66 -1.87 0.03 0.00 -0.71 0.00 0.00 39.64 37.75 3ita n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ita n GLN 105 N -4.00 0.12 -3.82 0.38 6.02 -1.10 -4.05 117.38 110.93 3ita n GLN 105 Ca -0.36 -0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.37 3ita n GLN 105 Cb 0.86 -1.53 0.02 0.00 1.02 0.00 0.00 30.24 30.60 3ita n GLN 105 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3ita n SER 106 N -1.68 -2.31 -4.65 1.08 7.64 -0.71 -4.82 113.62 108.18 3ita n SER 106 Ca 0.03 -0.84 -0.43 0.00 1.01 0.00 0.00 58.87 58.65 3ita n SER 106 Cb 0.38 -3.82 -0.02 0.00 -1.01 0.00 0.00 64.21 59.73 3ita n SER 106 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3ita s GLY 107 N -3.98 1.45 0.22 0.23 0.00 0.46 -4.70 107.32 100.98 3ita s GLY 107 Ca 0.24 0.51 0.06 0.00 0.00 0.00 0.00 44.72 45.54 3ita s GLY 107 CO 0.83 2.79 1.50 3.43 0.00 0.00 0.00 173.10 181.65 3ita h ASN 108 N 9.46 0.16 -0.67 1.64 2.35 -1.54 -2.41 115.58 124.57 3ita h ASN 108 Ca -0.31 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.25 3ita h ASN 108 Cb 1.13 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 3ita h ASN 108 CO 0.99 0.83 0.13 -2.24 -1.65 0.00 0.00 177.43 175.48 3ita h ASP 109 N 0.09 1.05 -0.26 5.81 2.03 -1.85 -2.84 116.42 120.45 3ita h ASP 109 Ca -0.02 -0.25 -0.05 0.00 -0.73 0.00 0.00 57.03 55.98 3ita h ASP 109 Cb 1.27 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 39.48 3ita h ASP 109 CO 0.10 1.03 0.01 0.00 -1.03 0.00 0.00 179.24 179.36 3ita h ALA 110 N 1.05 1.35 -0.78 4.15 0.00 -1.79 -1.90 119.26 121.35 3ita h ALA 110 Ca 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ita h ALA 110 Cb 0.42 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3ita h ALA 110 CO 0.01 0.45 0.41 0.00 0.00 0.00 0.00 179.25 180.12 3ita h ILE 112 N 1.08 1.30 -0.53 0.00 2.04 -1.15 -0.30 117.51 119.94 3ita h ILE 112 Ca 0.27 -1.79 -0.09 0.00 1.00 0.00 0.00 64.86 64.25 3ita h ILE 112 Cb 0.05 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 3ita h ILE 112 CO -0.04 0.57 -0.03 0.00 0.00 0.00 0.00 178.15 178.65 3ita h ALA 113 N 0.60 0.96 -0.28 1.87 0.00 -1.11 -1.33 119.26 119.96 3ita h ALA 113 Ca -0.01 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 3ita h ALA 113 Cb 1.20 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ita h ALA 113 CO 0.13 0.63 -0.51 1.25 0.00 0.00 0.00 179.25 180.74 3ita h LEU 114 N 0.84 0.87 -0.40 0.00 5.85 -1.15 -2.42 115.31 118.90 3ita h LEU 114 Ca 0.15 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3ita h LEU 114 Cb 0.53 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3ita h LEU 114 CO 0.03 1.22 0.16 0.00 -0.34 0.00 0.00 178.44 179.51 3ita h ALA 115 N 0.80 0.52 -0.88 1.25 0.00 -0.71 0.17 119.26 120.41 3ita h ALA 115 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ita h ALA 115 Cb 1.10 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3ita h ALA 115 CO 0.11 0.12 0.58 -0.44 0.00 0.00 0.00 179.25 179.62 3ita h ASP 116 N 0.50 1.02 -0.21 0.00 3.32 -1.24 -0.89 116.42 118.92 3ita h ASP 116 Ca 0.13 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 3ita h ASP 116 Cb 0.19 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3ita h ASP 116 CO -0.01 0.74 -0.43 0.22 -1.72 0.00 0.00 179.24 178.04 3ita h TYR 117 N 1.20 0.84 -0.10 4.55 3.20 -0.86 0.14 116.97 125.94 3ita h TYR 117 Ca 0.32 -0.31 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3ita h TYR 117 Cb -0.13 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 37.98 3ita h TYR 117 CO -0.01 1.08 -0.17 0.28 -1.64 0.00 0.00 178.16 177.70 3ita h VAL 118 N 0.36 1.38 -0.00 1.81 2.07 -0.53 -3.38 116.25 117.96 3ita h VAL 118 Ca 0.00 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3ita h VAL 118 Cb 1.04 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3ita h VAL 118 CO 0.10 0.41 -0.14 0.00 0.02 0.00 0.00 177.57 177.96 3ita n ALA 119 N -2.44 2.47 0.00 1.67 0.00 -0.35 -5.01 120.51 116.85 3ita n ALA 119 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3ita n ALA 119 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3ita n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ita n GLY 120 N 0.91 2.96 3.63 0.00 0.00 0.50 -4.68 105.19 108.51 3ita n GLY 120 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 3ita n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ita s SER 121 N 0.36 -0.34 0.17 1.61 1.04 -1.26 -4.79 113.70 110.50 3ita s SER 121 Ca 0.00 -0.25 -0.11 0.00 0.48 0.00 0.00 55.95 56.07 3ita s SER 121 Cb 0.00 0.55 0.08 0.00 0.10 0.00 0.00 66.02 66.74 3ita s SER 121 CO 0.00 -0.96 1.70 1.56 0.98 0.00 0.00 173.24 176.52 3ita h GLN 122 N 2.00 0.95 -0.45 4.02 4.20 -1.90 -2.35 115.11 121.58 3ita h GLN 122 Ca -0.25 -0.21 0.09 0.00 0.06 0.00 0.00 58.65 58.34 3ita h GLN 122 Cb 1.26 -0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.82 3ita h GLN 122 CO 0.29 0.85 -0.06 1.49 -0.67 0.00 0.00 178.83 180.73 3ita h GLU 123 N 0.87 0.05 -0.45 1.46 4.81 -1.97 -0.20 114.58 119.15 3ita h GLU 123 Ca 0.20 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3ita h GLU 123 Cb 0.30 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3ita h GLU 123 CO -0.01 0.03 -0.11 0.77 -0.73 0.00 0.00 179.01 178.97 3ita h SER 124 N 0.05 0.81 -0.59 1.04 0.02 -1.82 -2.42 113.55 110.64 3ita h SER 124 Ca 0.22 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 3ita h SER 124 Cb 0.33 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3ita h SER 124 CO -0.42 0.94 0.05 0.15 -1.14 0.00 0.00 176.83 176.41 3ita h PHE 125 N 0.74 1.09 -0.23 3.45 3.57 -1.14 -2.45 116.94 121.98 3ita h PHE 125 Ca 0.12 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 3ita h PHE 125 Cb 0.60 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3ita h PHE 125 CO 0.03 0.96 -0.04 0.82 -2.23 0.00 0.00 178.31 177.85 3ita h ILE 126 N 0.91 1.16 -0.55 1.41 2.04 -0.92 -0.10 117.51 121.46 3ita h ILE 126 Ca 0.17 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.44 3ita h ILE 126 Cb 0.49 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 3ita h ILE 126 CO 0.02 0.22 0.24 1.23 0.00 0.00 0.00 178.15 179.86 3ita h GLY 127 N 0.70 0.77 1.08 5.37 0.00 -0.98 -0.56 103.07 109.44 3ita h GLY 127 Ca 0.07 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 3ita h GLY 127 CO 0.01 0.05 -0.02 1.41 0.00 0.00 0.00 176.54 177.99 3ita h LEU 128 N 0.45 1.05 -0.43 3.11 3.38 -0.84 0.03 115.31 122.06 3ita h LEU 128 Ca 0.26 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3ita h LEU 128 Cb 0.25 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3ita h LEU 128 CO -0.23 1.11 0.14 0.24 0.09 0.00 0.00 178.44 179.78 3ita h MET 129 N 0.96 0.29 0.00 1.13 2.86 -0.73 -0.92 114.93 118.52 3ita h MET 129 Ca 0.17 -0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.61 3ita h MET 129 Cb 0.58 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 3ita h MET 129 CO 0.03 0.19 -0.85 -0.91 1.06 0.00 0.00 176.91 176.43 3ita h ASN 130 N 0.29 0.01 -0.57 1.22 2.35 -0.94 -1.71 115.58 116.24 3ita h ASN 130 Ca 0.20 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3ita h ASN 130 Cb 0.21 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3ita h ASN 130 CO -0.22 0.86 0.38 1.23 -1.65 0.00 0.00 177.43 178.03 3ita h GLY 131 N 2.53 0.81 1.74 2.83 0.00 -0.70 -1.40 103.07 108.88 3ita h GLY 131 Ca -0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 3ita h GLY 131 CO 0.11 0.30 -0.56 -0.97 0.00 0.00 0.00 176.54 175.42 3ita h TYR 132 N 0.78 0.35 -0.53 5.60 0.05 -1.10 -0.81 116.97 121.30 3ita h TYR 132 Ca 0.21 -0.12 0.03 0.00 0.05 0.00 0.00 58.73 58.89 3ita h TYR 132 Cb -0.08 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.56 3ita h TYR 132 CO -0.03 0.77 0.32 0.00 -1.05 0.00 0.00 178.16 178.17 3ita h ALA 133 N 1.20 0.69 -0.23 3.88 0.00 -1.02 0.23 119.26 124.02 3ita h ALA 133 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ita h ALA 133 Cb 1.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3ita h ALA 133 CO 0.09 0.03 0.07 0.87 0.00 0.00 0.00 179.25 180.31 3ita h LYS 134 N 0.63 0.35 -0.95 0.00 1.79 -1.04 0.59 116.57 117.95 3ita h LYS 134 Ca 0.22 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.65 3ita h LYS 134 Cb 0.03 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.57 3ita h LYS 134 CO -0.10 0.43 0.62 -0.22 -1.08 0.00 0.00 179.45 179.11 3ita h LYS 135 N 0.20 1.16 -0.06 3.15 3.64 -0.68 -1.61 116.57 122.36 3ita h LYS 135 Ca 0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ita h LYS 135 Cb 0.22 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3ita h LYS 135 CO -0.00 0.77 0.00 1.28 -2.27 0.00 0.00 179.45 179.22 3ita n LEU 136 N -4.44 0.87 -1.17 5.20 4.77 0.78 -4.91 117.00 118.10 3ita n LEU 136 Ca 0.13 -0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 55.68 3ita n LEU 136 Cb 0.10 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3ita n LEU 136 CO 0.35 0.17 -0.06 0.61 -1.33 0.00 0.00 177.39 177.13 3ita n GLY 137 N 1.01 0.10 3.42 -0.72 0.00 -0.61 -4.94 105.19 103.46 3ita n GLY 137 Ca 0.17 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 3ita n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ita n LEU 138 N -1.51 5.32 0.22 0.99 4.77 0.16 -4.81 117.00 122.15 3ita n LEU 138 Ca -0.07 -4.16 0.15 0.00 -0.03 0.00 0.00 56.01 51.89 3ita n LEU 138 Cb 0.56 -1.68 0.51 0.00 -2.33 0.00 0.00 43.42 40.49 3ita n LEU 138 CO 0.15 0.51 0.92 0.71 -1.33 0.00 0.00 177.39 178.35 3ita h THR 139 N 5.00 0.00 -0.30 -5.08 1.35 -1.92 -2.84 112.91 109.12 3ita h THR 139 Ca 0.42 -0.57 -0.13 0.00 -0.55 0.00 0.00 66.41 65.58 3ita h THR 139 Cb 0.83 1.52 -0.08 0.00 -1.73 0.00 0.00 68.15 68.69 3ita h THR 139 CO 1.44 0.00 -0.08 0.59 -0.25 0.00 0.00 175.52 177.22 3ita n ASN 140 N -2.87 2.68 -4.17 5.36 3.02 -1.26 -5.00 115.26 113.02 3ita n ASN 140 Ca 0.02 -3.61 -0.30 0.00 -0.03 0.00 0.00 54.58 50.66 3ita n ASN 140 Cb 0.35 -0.61 -0.17 0.00 -0.61 0.00 0.00 39.78 38.75 3ita n ASN 140 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ita s THR 141 N -3.16 1.80 -0.04 3.41 2.01 -1.07 -4.16 115.64 114.43 3ita s THR 141 Ca 0.43 -0.88 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 3ita s THR 141 Cb 0.39 -1.57 0.03 0.00 0.01 0.00 0.00 72.50 71.36 3ita s THR 141 CO 0.01 0.50 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.55 3ita s THR 142 N 0.33 0.26 -0.13 -0.82 2.01 -0.61 -4.94 115.64 111.74 3ita s THR 142 Ca -0.15 0.09 -0.09 0.00 0.31 0.00 0.00 61.69 61.85 3ita s THR 142 Cb -0.17 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 3ita s THR 142 CO 0.07 0.19 0.18 -0.36 -0.69 0.00 0.00 174.62 174.01 3ita s PHE 143 N 1.35 3.56 -0.16 4.92 0.08 -1.26 -2.06 117.98 124.41 3ita s PHE 143 Ca -0.05 0.54 0.01 0.00 0.12 0.00 0.00 56.93 57.56 3ita s PHE 143 Cb -0.13 -2.07 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 3ita s PHE 143 CO -0.02 0.57 0.54 1.04 -0.10 0.00 0.00 175.22 177.24 3ita n GLN 144 N 2.49 -0.77 -3.85 0.44 1.13 -1.26 -4.91 117.38 110.65 3ita n GLN 144 Ca -0.18 -0.57 -0.09 0.00 -1.94 0.00 0.00 57.00 54.23 3ita n GLN 144 Cb 0.54 -1.02 -0.07 0.00 0.11 0.00 0.00 30.24 29.80 3ita n GLN 144 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3ita s THR 145 N -0.11 0.14 -1.23 5.09 -4.23 -1.26 -5.04 115.64 108.99 3ita s THR 145 Ca 0.01 -1.15 0.28 0.00 -1.18 0.00 0.00 61.69 59.65 3ita s THR 145 Cb 0.01 -1.32 0.27 0.00 1.34 0.00 0.00 72.50 72.80 3ita s THR 145 CO 0.02 -0.64 1.79 1.33 -0.54 0.00 0.00 174.62 176.58 3ita n VAL 146 N -0.05 0.00 0.00 2.29 0.24 -1.26 -4.26 118.33 115.29 3ita n VAL 146 Ca -0.15 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3ita n VAL 146 Cb 0.62 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3ita n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ita n HIS 147 N -1.31 0.00 -0.87 6.34 -0.00 -1.26 -4.75 115.22 113.37 3ita n HIS 147 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 3ita n HIS 147 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 3ita n HIS 147 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ita n GLY 148 N 0.72 0.55 3.66 -1.39 0.00 -1.26 -4.51 105.19 102.96 3ita n GLY 148 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3ita n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ita s LEU 149 N 0.00 1.40 0.23 0.99 1.43 -1.26 -4.15 118.68 117.32 3ita s LEU 149 Ca 0.00 1.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.84 3ita s LEU 149 Cb 0.00 -3.14 -0.12 0.00 0.03 0.00 0.00 46.19 42.96 3ita s LEU 149 CO 0.00 -3.34 1.66 -0.62 0.23 0.00 0.00 176.35 174.28 3ita s ASP 150 N -3.56 6.40 -0.18 2.29 3.68 -1.26 -4.92 116.67 119.12 3ita s ASP 150 Ca 0.66 2.87 -0.27 0.00 2.13 0.00 0.00 52.55 57.94 3ita s ASP 150 Cb -0.17 -2.61 0.07 0.00 -1.45 0.00 0.00 42.92 38.76 3ita s ASP 150 CO 0.57 -0.93 0.71 0.00 0.13 0.00 0.00 175.17 175.65 3ita s ALA 151 N 0.76 -1.78 0.37 3.66 0.00 -1.26 -5.10 121.76 118.41 3ita s ALA 151 Ca 0.70 1.75 -0.28 0.00 0.00 0.00 0.00 51.96 54.14 3ita s ALA 151 Cb -0.48 -0.72 -0.10 0.00 0.00 0.00 0.00 23.12 21.82 3ita s ALA 151 CO 0.37 -0.35 1.37 -2.14 0.00 0.00 0.00 175.76 175.01 3ita s PRO 152 N -0.24 4.12 -1.41 0.00 0.02 -1.26 -3.56 135.00 132.67 3ita s PRO 152 Ca -0.04 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3ita s PRO 152 Cb -0.03 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.57 3ita s PRO 152 CO 0.04 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 3ita n GLY 153 N 0.65 0.43 3.37 0.52 0.00 -1.26 -4.89 105.19 104.01 3ita n GLY 153 Ca 0.02 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 3ita n GLY 153 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ita s GLN 154 N -4.19 3.46 0.18 1.61 0.74 -1.23 -4.71 119.66 115.51 3ita s GLN 154 Ca 0.00 -0.61 -0.22 0.00 0.05 0.00 0.00 55.36 54.58 3ita s GLN 154 Cb 0.00 -2.91 0.06 0.00 1.10 0.00 0.00 33.01 31.25 3ita s GLN 154 CO 0.00 -0.00 0.59 -0.59 -0.55 0.00 0.00 175.29 174.74 3ita s PHE 155 N 0.97 -0.43 0.00 1.67 -0.12 -0.88 -4.70 117.98 114.49 3ita s PHE 155 Ca -0.00 0.17 0.00 0.00 -0.05 0.00 0.00 56.93 57.05 3ita s PHE 155 Cb -0.15 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 3ita s PHE 155 CO 0.00 -0.90 0.00 0.45 -0.05 0.00 0.00 175.22 174.73 3ita n SER 156 N -0.38 0.00 -4.06 1.98 2.88 -0.40 -1.57 113.62 112.07 3ita n SER 156 Ca -0.15 -0.35 -0.09 0.00 -1.33 0.00 0.00 58.87 56.95 3ita n SER 156 Cb 0.64 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.01 3ita n SER 156 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3ita s THR 157 N -1.98 0.12 0.16 2.46 -4.23 -1.26 -1.16 115.64 109.75 3ita s THR 157 Ca 0.00 -1.70 -0.15 0.00 -1.18 0.00 0.00 61.69 58.66 3ita s THR 157 Cb 0.00 -1.82 0.04 0.00 1.34 0.00 0.00 72.50 72.06 3ita s THR 157 CO 0.00 -0.55 1.75 0.00 -0.54 0.00 0.00 174.62 175.28 3ita h ALA 158 N 2.84 0.45 -0.64 3.99 0.00 -1.78 -0.72 119.26 123.39 3ita h ALA 158 Ca -0.34 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3ita h ALA 158 Cb 1.19 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3ita h ALA 158 CO 0.58 -0.26 0.40 -0.09 0.00 0.00 0.00 179.25 179.88 3ita h ARG 159 N 0.28 0.79 -0.35 0.00 2.43 -1.62 -1.53 114.38 114.38 3ita h ARG 159 Ca 0.18 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 3ita h ARG 159 Cb 0.16 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3ita h ARG 159 CO -0.19 0.52 -0.32 -0.44 -1.51 0.00 0.00 179.97 178.04 3ita h ASP 160 N 0.81 0.80 -0.07 -3.80 3.32 -1.67 -1.55 116.42 114.26 3ita h ASP 160 Ca 0.25 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3ita h ASP 160 Cb -0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3ita h ASP 160 CO -0.08 1.05 -0.10 0.24 -1.72 0.00 0.00 179.24 178.63 3ita h MET 161 N 0.65 0.36 -0.20 3.56 2.86 -1.00 0.12 114.93 121.28 3ita h MET 161 Ca 0.07 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 3ita h MET 161 Cb 0.85 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 3ita h MET 161 CO 0.07 0.47 -0.21 0.00 1.06 0.00 0.00 176.91 178.31 3ita h ALA 162 N 1.56 0.29 -0.79 6.32 0.00 -0.90 0.36 119.26 126.11 3ita h ALA 162 Ca 0.07 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3ita h ALA 162 Cb 0.39 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3ita h ALA 162 CO 0.02 0.23 0.51 -0.07 0.00 0.00 0.00 179.25 179.94 3ita h LEU 163 N 0.16 0.86 -0.48 0.00 3.38 -1.07 0.84 115.31 119.01 3ita h LEU 163 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3ita h LEU 163 Cb 0.75 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3ita h LEU 163 CO 0.05 0.60 0.12 0.25 0.09 0.00 0.00 178.44 179.56 3ita h LEU 164 N 1.01 0.72 -0.59 1.67 5.85 -0.68 -1.24 115.31 122.05 3ita h LEU 164 Ca 0.30 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3ita h LEU 164 Cb -0.04 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3ita h LEU 164 CO -0.09 0.76 0.25 1.23 -0.34 0.00 0.00 178.44 180.25 3ita h GLY 165 N 0.64 0.93 0.69 3.75 0.00 -0.45 -0.41 103.07 108.23 3ita h GLY 165 Ca 0.15 -0.49 0.05 0.00 0.00 0.00 0.00 47.33 47.04 3ita h GLY 165 CO 0.00 0.47 0.28 1.70 0.00 0.00 0.00 176.54 178.99 3ita h LYS 166 N 0.81 0.52 -0.88 4.80 3.64 -0.68 -2.06 116.57 122.72 3ita h LYS 166 Ca 0.20 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3ita h LYS 166 Cb 0.17 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3ita h LYS 166 CO -0.02 0.35 0.45 0.00 -2.27 0.00 0.00 179.45 177.96 3ita h ALA 167 N 1.30 1.14 0.14 5.00 0.00 -0.71 -1.10 119.26 125.03 3ita h ALA 167 Ca 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ita h ALA 167 Cb 0.16 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ita h ALA 167 CO -0.17 0.67 -0.10 1.25 0.00 0.00 0.00 179.25 180.90 3ita h LEU 168 N 1.24 -0.25 -0.63 0.00 5.85 -0.77 0.15 115.31 120.90 3ita h LEU 168 Ca 0.31 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.12 3ita h LEU 168 Cb 0.07 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3ita h LEU 168 CO -0.04 -0.16 0.30 0.40 -0.34 0.00 0.00 178.44 178.60 3ita h ILE 169 N -0.24 0.88 0.03 4.05 2.04 -1.25 -1.98 117.51 121.04 3ita h ILE 169 Ca -0.01 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 3ita h ILE 169 Cb 0.21 0.29 0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3ita h ILE 169 CO 0.00 0.10 -0.43 -0.74 0.00 0.00 0.00 178.15 177.09 3ita h HIS 170 N 0.55 0.37 0.07 1.37 2.76 -1.03 -3.33 115.15 115.90 3ita h HIS 170 Ca 0.30 -0.22 -0.33 0.00 -2.20 0.00 0.00 60.37 57.91 3ita h HIS 170 Cb 0.27 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 3ita h HIS 170 CO -0.11 1.08 -1.88 -0.25 -1.30 0.00 0.00 177.93 175.46 3ita n ASP 171 N -4.37 1.52 -3.25 3.26 8.00 0.50 -4.45 116.55 117.77 3ita n ASP 171 Ca -0.11 0.29 -0.25 0.00 0.71 0.00 0.00 54.79 55.43 3ita n ASP 171 Cb 0.61 -0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 3ita n ASP 171 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3ita n VAL 172 N -3.27 1.25 0.28 2.53 0.24 -0.75 -4.96 118.33 113.65 3ita n VAL 172 Ca -0.25 -4.84 0.11 0.00 -2.04 0.00 0.00 64.34 57.32 3ita n VAL 172 Cb 1.05 -1.74 0.76 0.00 -1.47 0.00 0.00 33.84 32.44 3ita n VAL 172 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3ita h PRO 173 N 3.80 0.00 -0.02 7.34 0.13 -1.68 0.76 132.00 142.33 3ita h PRO 173 Ca 0.14 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.18 3ita h PRO 173 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3ita h PRO 173 CO 0.68 0.00 -0.42 0.93 -0.23 0.00 0.00 178.00 178.96 3ita h GLU 174 N 0.00 0.03 0.20 0.86 5.08 -1.91 -0.65 114.58 118.19 3ita h GLU 174 Ca -0.00 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 3ita h GLU 174 Cb 0.01 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.29 3ita h GLU 174 CO 0.00 0.45 -1.38 1.49 -1.00 0.00 0.00 179.01 178.57 3ita h GLU 175 N 0.03 0.56 -0.71 2.33 4.57 -1.24 -3.18 114.58 116.94 3ita h GLU 175 Ca -0.00 -0.87 -0.02 0.00 -1.18 0.00 0.00 59.36 57.29 3ita h GLU 175 Cb 0.76 0.31 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 3ita h GLU 175 CO 0.06 1.41 0.36 -0.92 -1.18 0.00 0.00 179.01 178.73 3ita h TYR 176 N 0.19 0.99 -0.15 0.92 3.20 -1.08 -2.70 116.97 118.35 3ita h TYR 176 Ca -0.22 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.66 3ita h TYR 176 Cb 2.06 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 40.01 3ita h TYR 176 CO 0.12 0.71 0.14 0.00 -1.64 0.00 0.00 178.16 177.49 3ita h ALA 177 N 1.39 1.87 0.00 1.82 0.00 -1.10 0.08 119.26 123.32 3ita h ALA 177 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3ita h ALA 177 Cb 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ita h ALA 177 CO -0.04 -0.22 -0.06 0.82 0.00 0.00 0.00 179.25 179.76 3ita h ILE 178 N 0.00 0.13 0.00 0.00 2.04 -1.54 -3.23 117.51 114.91 3ita h ILE 178 Ca 0.07 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3ita h ILE 178 Cb 0.36 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3ita h ILE 178 CO -0.00 0.06 0.00 1.41 0.00 0.00 0.00 178.15 179.61 3ita n HIS 179 N -3.15 0.00 0.31 1.37 8.25 0.01 -1.84 115.22 120.18 3ita n HIS 179 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.60 3ita n HIS 179 Cb 0.40 -0.50 0.22 0.00 1.12 0.00 0.00 29.99 31.24 3ita n HIS 179 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3ita h LYS 180 N 0.00 0.00 -6.30 -0.41 1.57 -1.56 -3.40 116.57 106.47 3ita h LYS 180 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3ita h LYS 180 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3ita h LYS 180 CO 0.00 0.00 0.66 -1.21 -0.57 0.00 0.00 179.45 178.33 3ita s GLU 181 N -3.19 4.37 0.35 3.15 2.02 -0.76 -4.92 118.70 119.72 3ita s GLU 181 Ca 0.08 1.60 0.19 0.00 0.02 0.00 0.00 54.97 56.86 3ita s GLU 181 Cb 0.07 -3.55 0.19 0.00 0.10 0.00 0.00 34.13 30.94 3ita s GLU 181 CO 0.65 -0.41 1.48 0.87 0.02 0.00 0.00 175.26 177.88 3ita h LYS 182 N 7.34 0.00 -3.82 1.61 1.57 -1.91 -3.40 116.57 117.95 3ita h LYS 182 Ca -0.33 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.28 3ita h LYS 182 Cb 1.16 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.25 3ita h LYS 182 CO 0.87 0.21 -0.64 -1.21 -0.57 0.00 0.00 179.45 178.11 3ita s GLU 183 N -3.11 0.33 -0.04 3.15 0.41 -1.26 0.35 118.70 118.53 3ita s GLU 183 Ca 0.05 -0.48 -0.01 0.00 -0.41 0.00 0.00 54.97 54.11 3ita s GLU 183 Cb 0.06 0.12 0.03 0.00 -1.78 0.00 0.00 34.13 32.57 3ita s GLU 183 CO 0.71 -0.06 0.07 0.12 -0.49 0.00 0.00 175.26 175.61 3ita s PHE 184 N -1.28 -0.03 -0.16 1.61 5.99 -0.29 -4.94 117.98 118.88 3ita s PHE 184 Ca -0.14 0.28 -0.03 0.00 0.00 0.00 0.00 56.93 57.03 3ita s PHE 184 Cb -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 43.02 42.67 3ita s PHE 184 CO -0.00 -0.14 -0.05 0.99 -0.00 0.00 0.00 175.22 176.02 3ita s THR 185 N 1.37 3.75 -0.02 0.12 2.01 -1.26 -0.79 115.64 120.82 3ita s THR 185 Ca -0.06 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.54 3ita s THR 185 Cb -0.12 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.77 3ita s THR 185 CO -0.04 0.49 0.02 0.12 -0.69 0.00 0.00 174.62 174.52 3ita s PHE 186 N 0.48 0.07 -1.48 4.92 5.36 -0.87 -4.86 117.98 121.60 3ita s PHE 186 Ca -0.04 0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 56.02 3ita s PHE 186 Cb -0.14 -0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.30 3ita s PHE 186 CO 0.03 -0.09 0.19 0.09 -1.46 0.00 0.00 175.22 173.99 3ita n ASN 187 N 4.05 0.38 0.00 6.13 3.02 -1.26 -1.93 115.26 125.65 3ita n ASN 187 Ca -0.26 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 3ita n ASN 187 Cb 0.51 -2.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.42 3ita n ASN 187 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ita n LYS 188 N -4.50 0.00 -3.80 3.52 5.02 -1.26 -4.98 118.16 112.16 3ita n LYS 188 Ca -0.32 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.60 3ita n LYS 188 Cb 0.69 -2.60 -0.13 0.00 -0.02 0.00 0.00 35.03 32.97 3ita n LYS 188 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ita s ILE 189 N -3.67 3.82 -0.06 -0.18 1.01 -0.81 -5.09 121.20 116.22 3ita s ILE 189 Ca 0.00 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 3ita s ILE 189 Cb 0.00 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 3ita s ILE 189 CO 0.00 0.17 0.55 -0.60 0.00 0.00 0.00 174.94 175.06 3ita s ARG 190 N 1.49 4.31 -0.03 2.79 3.52 -1.26 -2.04 118.95 127.73 3ita s ARG 190 Ca 0.03 0.62 0.05 0.00 -0.13 0.00 0.00 55.73 56.30 3ita s ARG 190 Cb -0.16 -3.38 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 3ita s ARG 190 CO 0.01 0.27 -0.17 -0.65 -0.81 0.00 0.00 175.30 173.96 3ita s GLN 191 N 0.18 1.55 0.34 5.12 -0.21 0.03 -4.97 119.66 121.70 3ita s GLN 191 Ca 0.29 -0.60 -0.16 0.00 0.02 0.00 0.00 55.36 54.92 3ita s GLN 191 Cb -0.17 -1.42 -0.09 0.00 1.00 0.00 0.00 33.01 32.33 3ita s GLN 191 CO 0.14 0.30 0.77 -1.25 -2.12 0.00 0.00 175.29 173.14 3ita s PRO 192 N -0.17 4.06 0.10 2.91 0.04 -1.26 -1.13 135.00 139.54 3ita s PRO 192 Ca 0.01 0.76 -0.31 0.00 0.04 0.00 0.00 61.00 61.50 3ita s PRO 192 Cb -0.09 -2.41 -0.11 0.00 0.04 0.00 0.00 34.50 31.93 3ita s PRO 192 CO 0.01 0.14 1.85 -1.71 0.04 0.00 0.00 177.00 177.33 3ita n ASN 193 N -0.35 4.01 0.00 6.66 2.85 0.16 -4.73 115.26 123.86 3ita n ASN 193 Ca 0.04 0.98 0.09 0.00 -0.11 0.00 0.00 54.58 55.58 3ita n ASN 193 Cb 0.53 -1.53 0.45 0.00 1.24 0.00 0.00 39.78 40.47 3ita n ASN 193 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3ita n ARG 194 N 5.89 0.13 -2.31 1.20 1.74 -1.26 -4.60 116.66 117.46 3ita n ARG 194 Ca 0.18 0.14 -0.34 0.00 -0.77 0.00 0.00 57.85 57.06 3ita n ARG 194 Cb 0.37 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 3ita n ARG 194 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3ita s ASN 195 N -2.80 5.84 0.58 0.55 2.47 -1.26 -4.83 114.94 115.49 3ita s ASN 195 Ca 0.14 -1.06 0.27 0.00 0.42 0.00 0.00 52.86 52.63 3ita s ASN 195 Cb 0.13 -2.56 1.58 0.00 -1.45 0.00 0.00 41.25 38.94 3ita s ASN 195 CO 0.33 -2.11 2.07 0.03 -3.72 0.00 0.00 177.10 173.69 3ita h ARG 196 N 10.54 0.00 0.00 0.43 2.47 -2.01 -1.92 114.38 123.89 3ita h ARG 196 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3ita h ARG 196 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 3ita h ARG 196 CO 1.32 0.00 0.00 -0.07 0.56 0.00 0.00 179.97 181.78 3ita h LEU 197 N 0.00 0.00 -2.65 3.04 3.38 -1.96 -0.99 115.31 116.13 3ita h LEU 197 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ita h LEU 197 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3ita h LEU 197 CO -0.00 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.45 3ita h LEU 198 N 0.00 0.00 -1.39 1.67 3.38 -1.59 -1.47 115.31 115.91 3ita h LEU 198 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ita h LEU 198 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ita h LEU 198 CO 0.00 0.01 -0.07 0.79 0.09 0.00 0.00 178.44 179.26 3ita n TRP 199 N -3.18 0.00 -2.03 1.13 8.01 -0.38 -4.88 117.44 116.10 3ita n TRP 199 Ca -0.02 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.75 3ita n TRP 199 Cb 0.12 -0.01 -0.02 0.00 -2.01 0.00 0.00 31.31 29.39 3ita n TRP 199 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3ita s SER 200 N -2.08 6.67 0.20 -0.99 0.15 -0.55 -4.90 113.70 112.19 3ita s SER 200 Ca 0.30 2.68 0.22 0.00 0.70 0.00 0.00 55.95 59.85 3ita s SER 200 Cb 0.20 -2.63 -0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3ita s SER 200 CO 0.36 -0.67 1.05 0.77 1.20 0.00 0.00 173.24 175.95 3ita h SER 201 N 4.60 0.00 0.45 5.45 4.64 -1.93 -3.38 113.55 123.38 3ita h SER 201 Ca -0.47 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.65 3ita h SER 201 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3ita h SER 201 CO 0.74 0.09 -0.88 0.78 -0.87 0.00 0.00 176.83 176.69 3ita h ASN 202 N 0.00 0.39 -3.90 4.97 -0.26 -1.97 -3.45 115.58 111.35 3ita h ASN 202 Ca -0.02 -0.30 -0.61 0.00 -0.56 0.00 0.00 56.30 54.80 3ita h ASN 202 Cb 1.09 -0.12 -0.21 0.00 -1.06 0.00 0.00 38.32 38.02 3ita h ASN 202 CO 0.01 1.10 -0.84 -0.76 -1.06 0.00 0.00 177.43 175.88 3ita s LEU 203 N -7.61 2.34 -1.09 1.61 1.43 -1.26 -5.07 118.68 109.03 3ita s LEU 203 Ca -0.04 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.14 3ita s LEU 203 Cb 0.10 -1.02 0.14 0.00 0.03 0.00 0.00 46.19 45.43 3ita s LEU 203 CO 0.84 0.09 1.34 0.21 0.23 0.00 0.00 176.35 179.07 3ita s ASN 204 N -2.14 6.84 -0.14 2.29 3.04 -1.26 -4.64 114.94 118.93 3ita s ASN 204 Ca 0.12 -2.46 -0.15 0.00 0.04 0.00 0.00 52.86 50.41 3ita s ASN 204 Cb -0.09 -2.43 -0.05 0.00 -1.54 0.00 0.00 41.25 37.14 3ita s ASN 204 CO 0.06 -0.96 0.34 -0.69 -3.04 0.00 0.00 177.10 172.80 3ita s VAL 205 N 2.49 5.27 -0.09 -5.21 1.01 -1.26 -1.96 120.40 120.66 3ita s VAL 205 Ca 0.40 0.66 0.13 0.00 0.00 0.00 0.00 61.98 63.16 3ita s VAL 205 Cb -0.03 -3.68 0.19 0.00 0.00 0.00 0.00 36.38 32.87 3ita s VAL 205 CO -0.04 0.38 1.09 -0.90 0.00 0.00 0.00 175.10 175.63 3ita n ASP 206 N 3.51 1.67 0.00 3.32 3.85 0.24 -4.59 116.55 124.56 3ita n ASP 206 Ca -0.11 -2.70 0.00 0.00 -0.71 0.00 0.00 54.79 51.27 3ita n ASP 206 Cb 0.52 -0.34 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 3ita n ASP 206 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ita n GLY 207 N -0.98 -0.92 0.19 6.12 0.00 -1.23 -3.21 105.19 105.16 3ita n GLY 207 Ca 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3ita n GLY 207 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3ita n MET 208 N -0.02 0.00 -3.64 1.61 3.85 0.55 -1.39 117.12 118.07 3ita n MET 208 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.70 56.58 3ita n MET 208 Cb 0.00 -0.44 -0.07 0.00 -1.05 0.00 0.00 33.22 31.65 3ita n MET 208 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 3ita s LYS 209 N -1.09 0.77 0.24 3.17 2.47 -0.69 -4.92 119.74 119.70 3ita s LYS 209 Ca 0.00 1.02 -0.00 0.00 -1.56 0.00 0.00 55.97 55.43 3ita s LYS 209 Cb 0.00 0.32 -0.04 0.00 -1.46 0.00 0.00 37.83 36.65 3ita s LYS 209 CO 0.00 -0.11 0.44 0.95 0.16 0.00 0.00 175.35 176.79 3ita s THR 210 N 0.70 5.17 0.16 3.43 -4.23 -1.26 -0.80 115.64 118.81 3ita s THR 210 Ca -0.03 -0.39 -0.20 0.00 -1.18 0.00 0.00 61.69 59.89 3ita s THR 210 Cb -0.05 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 70.07 3ita s THR 210 CO -0.05 -0.28 0.53 -0.83 -0.54 0.00 0.00 174.62 173.45 3ita s GLY 211 N -3.41 -0.40 -0.11 3.99 0.00 -0.85 -4.10 107.32 102.43 3ita s GLY 211 Ca 0.39 0.17 0.00 0.00 0.00 0.00 0.00 44.72 45.28 3ita s GLY 211 CO 0.31 -0.07 -0.09 -1.59 0.00 0.00 0.00 173.10 171.65 3ita s THR 212 N -3.79 1.14 0.61 0.90 2.01 -1.26 0.13 115.64 115.38 3ita s THR 212 Ca 0.03 -0.38 -0.16 0.00 0.31 0.00 0.00 61.69 61.50 3ita s THR 212 Cb -0.00 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 3ita s THR 212 CO -0.10 0.38 1.08 0.42 -0.69 0.00 0.00 174.62 175.71 3ita s THR 213 N 1.51 3.61 0.61 -0.82 -4.23 0.11 -4.78 115.64 111.65 3ita s THR 213 Ca 0.02 0.77 0.31 0.00 -1.18 0.00 0.00 61.69 61.62 3ita s THR 213 Cb -0.13 -3.29 0.37 0.00 1.34 0.00 0.00 72.50 70.78 3ita s THR 213 CO -0.07 -0.44 2.15 0.00 -0.54 0.00 0.00 174.62 175.72 3ita h ALA 214 N 0.39 1.59 -0.19 3.99 0.00 -1.98 0.78 119.26 123.84 3ita h ALA 214 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ita h ALA 214 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ita h ALA 214 CO 0.56 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.01 3ita n GLY 215 N -1.32 1.31 2.30 0.00 0.00 -1.26 -4.87 105.19 101.34 3ita n GLY 215 Ca -0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 3ita n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ita n ALA 216 N 0.18 -0.46 -2.64 4.61 0.00 0.27 -4.99 120.51 117.47 3ita n ALA 216 Ca 0.08 0.13 -0.38 0.00 0.00 0.00 0.00 53.44 53.26 3ita n ALA 216 Cb 0.42 -1.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.04 3ita n ALA 216 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ita s GLY 217 N -2.29 2.50 -0.22 0.00 0.00 -1.25 -4.74 107.32 101.32 3ita s GLY 217 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 44.72 44.55 3ita s GLY 217 CO 0.00 0.79 0.13 -0.19 0.00 0.00 0.00 173.10 173.83 3ita s TYR 218 N 0.30 3.29 0.15 1.90 1.51 -0.28 0.07 117.35 124.29 3ita s TYR 218 Ca 0.29 0.16 0.08 0.00 -1.01 0.00 0.00 57.07 56.58 3ita s TYR 218 Cb -0.16 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 3ita s TYR 218 CO 0.14 0.07 -0.07 -0.80 -1.11 0.00 0.00 175.55 173.78 3ita s ASN 219 N 0.89 4.48 -0.17 2.29 0.01 0.35 -1.43 114.94 121.35 3ita s ASN 219 Ca 0.07 -0.44 -0.10 0.00 -0.71 0.00 0.00 52.86 51.68 3ita s ASN 219 Cb -0.13 -0.86 0.06 0.00 0.41 0.00 0.00 41.25 40.72 3ita s ASN 219 CO 0.03 0.13 0.41 -0.22 -1.51 0.00 0.00 177.10 175.94 3ita s LEU 220 N -2.61 -0.07 -0.24 0.60 2.96 0.17 -2.00 118.68 117.49 3ita s LEU 220 Ca 0.24 0.90 -0.08 0.00 -0.22 0.00 0.00 54.13 54.97 3ita s LEU 220 Cb -0.10 1.36 -0.04 0.00 0.50 0.00 0.00 46.19 47.92 3ita s LEU 220 CO 0.16 -0.19 0.10 -0.69 -1.32 0.00 0.00 176.35 174.40 3ita s VAL 221 N 1.33 4.64 0.13 1.68 1.01 0.02 -0.65 120.40 128.56 3ita s VAL 221 Ca -0.09 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 61.92 3ita s VAL 221 Cb -0.08 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3ita s VAL 221 CO -0.12 0.34 -0.22 0.00 0.00 0.00 0.00 175.10 175.10 3ita s ALA 222 N 1.39 2.05 0.01 5.51 0.00 -0.18 -0.33 121.76 130.22 3ita s ALA 222 Ca 0.06 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.65 3ita s ALA 222 Cb -0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 3ita s ALA 222 CO 0.05 0.39 -0.06 0.45 0.00 0.00 0.00 175.76 176.59 3ita s SER 223 N -2.14 0.62 0.04 0.00 0.15 -0.49 -0.75 113.70 111.14 3ita s SER 223 Ca 0.11 -0.27 -0.03 0.00 0.70 0.00 0.00 55.95 56.46 3ita s SER 223 Cb -0.09 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.18 3ita s SER 223 CO 0.06 -0.06 0.04 0.00 1.20 0.00 0.00 173.24 174.47 3ita s ALA 224 N -0.64 0.14 0.13 5.45 0.00 -0.79 -0.59 121.76 125.47 3ita s ALA 224 Ca -0.03 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.26 3ita s ALA 224 Cb -0.05 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3ita s ALA 224 CO -0.00 -0.31 -0.22 0.95 0.00 0.00 0.00 175.76 176.19 3ita s THR 225 N -2.80 1.91 -0.19 0.00 -4.23 -0.83 -1.40 115.64 108.11 3ita s THR 225 Ca -0.03 -1.74 -0.04 0.00 -1.18 0.00 0.00 61.69 58.70 3ita s THR 225 Cb -0.00 -1.78 0.09 0.00 1.34 0.00 0.00 72.50 72.15 3ita s THR 225 CO -0.06 -0.11 0.28 -1.58 -0.54 0.00 0.00 174.62 172.61 3ita s GLN 226 N -2.26 0.22 6.54 3.99 0.74 -0.37 -4.27 119.66 124.24 3ita s GLN 226 Ca 0.12 0.49 0.00 0.00 0.05 0.00 0.00 55.36 56.02 3ita s GLN 226 Cb -0.09 -0.59 0.00 0.00 1.10 0.00 0.00 33.01 33.43 3ita s GLN 226 CO 0.06 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 174.69 3ita n GLY 227 N 5.34 3.37 1.18 2.59 0.00 -1.26 -1.33 105.19 115.09 3ita n GLY 227 Ca -0.05 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 45.93 3ita n GLY 227 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ita n ASP 228 N 3.93 3.45 -4.84 1.61 5.75 -1.26 -4.88 116.55 120.31 3ita n ASP 228 Ca 0.00 -2.27 -0.37 0.00 -0.01 0.00 0.00 54.79 52.15 3ita n ASP 228 Cb 0.00 -0.47 -0.07 0.00 -1.03 0.00 0.00 41.12 39.56 3ita n ASP 228 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3ita s MET 229 N -1.68 3.59 -0.07 0.11 1.75 -0.44 -5.01 119.30 117.55 3ita s MET 229 Ca 0.37 -0.16 0.02 0.00 -1.25 0.00 0.00 55.69 54.67 3ita s MET 229 Cb 0.23 -3.23 0.01 0.00 2.84 0.00 0.00 34.83 34.68 3ita s MET 229 CO 0.19 0.67 -0.13 0.50 -0.65 0.00 0.00 175.02 175.60 3ita s ARG 230 N -0.72 1.82 0.12 4.11 3.52 -1.26 -1.24 118.95 125.31 3ita s ARG 230 Ca 0.13 -0.45 0.06 0.00 -0.13 0.00 0.00 55.73 55.34 3ita s ARG 230 Cb -0.12 -1.50 -0.04 0.00 -1.56 0.00 0.00 34.95 31.74 3ita s ARG 230 CO 0.03 0.03 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.02 3ita s LEU 231 N 0.66 3.34 -0.10 -0.88 1.43 -0.49 -1.07 118.68 121.57 3ita s LEU 231 Ca -0.14 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 3ita s LEU 231 Cb -0.16 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3ita s LEU 231 CO 0.04 0.15 -0.23 -0.63 0.23 0.00 0.00 176.35 175.91 3ita s ILE 232 N -1.42 1.99 0.11 -0.59 1.01 0.10 -1.88 121.20 120.52 3ita s ILE 232 Ca 0.25 -0.97 0.10 0.00 0.00 0.00 0.00 60.65 60.04 3ita s ILE 232 Cb -0.11 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 3ita s ILE 232 CO 0.18 0.54 -0.24 -0.94 0.00 0.00 0.00 174.94 174.48 3ita s SER 233 N 0.45 3.49 -0.04 3.58 1.04 0.07 -0.94 113.70 121.37 3ita s SER 233 Ca -0.16 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.63 3ita s SER 233 Cb -0.17 -0.34 0.01 0.00 0.10 0.00 0.00 66.02 65.61 3ita s SER 233 CO 0.07 0.19 -0.08 -0.69 0.98 0.00 0.00 173.24 173.71 3ita s VAL 234 N -1.05 0.76 -0.08 5.02 1.01 -0.39 -1.01 120.40 124.66 3ita s VAL 234 Ca 0.15 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3ita s VAL 234 Cb -0.10 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.59 3ita s VAL 234 CO 0.07 0.25 -0.11 -0.69 0.00 0.00 0.00 175.10 174.62 3ita s VAL 235 N 0.45 1.11 -0.02 2.92 1.01 0.17 -1.81 120.40 124.22 3ita s VAL 235 Ca -0.07 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.56 3ita s VAL 235 Cb -0.11 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3ita s VAL 235 CO 0.01 0.36 -0.24 -0.76 0.00 0.00 0.00 175.10 174.47 3ita s LEU 236 N 1.05 2.04 -1.09 3.92 1.43 0.05 -0.65 118.68 125.43 3ita s LEU 236 Ca -0.07 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 3ita s LEU 236 Cb -0.15 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.83 3ita s LEU 236 CO -0.01 0.28 0.63 0.61 0.23 0.00 0.00 176.35 178.09 3ita n GLY 237 N 2.58 -0.18 3.78 -3.19 0.00 -1.15 -1.63 105.19 105.40 3ita n GLY 237 Ca -0.16 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3ita n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ita s ALA 238 N -3.10 2.62 0.12 4.61 0.00 -0.51 -3.07 121.76 122.42 3ita s ALA 238 Ca 0.31 0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.95 3ita s ALA 238 Cb -0.14 -3.31 -0.16 0.00 0.00 0.00 0.00 23.12 19.51 3ita s ALA 238 CO 0.38 -0.96 1.31 0.87 0.00 0.00 0.00 175.76 177.36 3ita h LYS 239 N 0.58 0.00 -4.70 0.00 1.57 -1.85 -0.73 116.57 111.44 3ita h LYS 239 Ca -0.48 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.05 3ita h LYS 239 Cb 1.24 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.41 3ita h LYS 239 CO 0.56 0.96 -0.68 0.95 -0.57 0.00 0.00 179.45 180.67 3ita s THR 240 N -2.77 0.63 0.16 -0.16 -4.23 -1.26 -4.82 115.64 103.19 3ita s THR 240 Ca 0.01 -1.95 -0.17 0.00 -1.18 0.00 0.00 61.69 58.40 3ita s THR 240 Cb 0.10 -1.91 0.08 0.00 1.34 0.00 0.00 72.50 72.11 3ita s THR 240 CO 0.81 -0.66 1.68 -0.78 -0.54 0.00 0.00 174.62 175.13 3ita h ASP 241 N 2.84 -0.30 -0.50 3.99 1.82 -1.96 -1.91 116.42 120.39 3ita h ASP 241 Ca -0.36 0.11 0.04 0.00 -0.39 0.00 0.00 57.03 56.43 3ita h ASP 241 Cb 1.19 0.22 -0.04 0.00 0.68 0.00 0.00 39.33 41.37 3ita h ASP 241 CO 0.63 -0.10 0.25 -0.09 -1.61 0.00 0.00 179.24 178.33 3ita h ARG 242 N 0.03 0.48 -0.44 0.28 2.43 -2.00 -2.92 114.38 112.24 3ita h ARG 242 Ca 0.19 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 3ita h ARG 242 Cb 0.29 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3ita h ARG 242 CO -0.38 0.32 -0.29 0.82 -1.51 0.00 0.00 179.97 178.93 3ita h ILE 243 N 0.50 1.27 -0.88 1.20 2.04 -1.90 -0.74 117.51 118.99 3ita h ILE 243 Ca 0.22 -1.46 0.12 0.00 1.00 0.00 0.00 64.86 64.74 3ita h ILE 243 Cb 0.13 1.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.35 3ita h ILE 243 CO -0.15 0.50 0.50 0.08 0.00 0.00 0.00 178.15 179.08 3ita h ARG 244 N 0.82 0.75 0.02 2.37 0.11 -1.20 0.19 114.38 117.44 3ita h ARG 244 Ca 0.09 -0.05 -0.19 0.00 0.10 0.00 0.00 59.98 59.93 3ita h ARG 244 Cb 0.88 -0.17 0.02 0.00 1.11 0.00 0.00 29.97 31.80 3ita h ARG 244 CO 0.08 0.50 -0.76 0.74 0.10 0.00 0.00 179.97 180.62 3ita h PHE 245 N 0.78 0.73 -0.47 4.08 0.04 -1.29 -2.94 116.94 117.87 3ita h PHE 245 Ca 0.45 -0.41 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 3ita h PHE 245 Cb 0.53 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 3ita h PHE 245 CO -0.05 1.24 0.12 -0.91 -0.60 0.00 0.00 178.31 178.11 3ita h ASN 246 N 0.02 0.71 0.02 2.17 2.35 -0.82 0.18 115.58 120.20 3ita h ASN 246 Ca -0.10 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.35 3ita h ASN 246 Cb 1.47 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.64 3ita h ASN 246 CO 0.15 0.75 -0.19 -0.33 -1.65 0.00 0.00 177.43 176.15 3ita h GLU 247 N 0.63 0.32 -0.19 0.81 4.39 -0.75 -0.32 114.58 119.48 3ita h GLU 247 Ca 0.15 -0.10 -0.14 0.00 0.34 0.00 0.00 59.36 59.61 3ita h GLU 247 Cb 0.31 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3ita h GLU 247 CO -0.00 0.51 -0.44 0.77 -1.16 0.00 0.00 179.01 178.69 3ita h SER 248 N 0.29 0.72 -0.62 1.42 0.02 -1.26 -1.94 113.55 112.18 3ita h SER 248 Ca 0.05 -0.56 -0.05 0.00 -0.84 0.00 0.00 61.79 60.39 3ita h SER 248 Cb 0.52 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3ita h SER 248 CO 0.03 1.15 0.21 -0.08 -1.14 0.00 0.00 176.83 177.00 3ita h GLU 249 N 0.32 0.99 -0.39 3.45 4.81 -0.70 -1.82 114.58 121.24 3ita h GLU 249 Ca -0.00 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 3ita h GLU 249 Cb 1.05 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 3ita h GLU 249 CO 0.10 0.85 0.20 -0.22 -0.73 0.00 0.00 179.01 179.20 3ita h LYS 250 N 0.96 0.55 -0.19 1.92 3.11 -0.88 -1.85 116.57 120.18 3ita h LYS 250 Ca 0.21 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.95 3ita h LYS 250 Cb 0.27 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 3ita h LYS 250 CO -0.01 0.47 0.01 -0.07 -2.81 0.00 0.00 179.45 177.04 3ita h LEU 251 N 0.49 0.33 -0.25 5.20 3.38 -0.97 -1.46 115.31 122.03 3ita h LEU 251 Ca 0.13 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3ita h LEU 251 Cb 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3ita h LEU 251 CO -0.02 0.54 0.14 -0.07 0.09 0.00 0.00 178.44 179.12 3ita h LEU 252 N 0.11 0.31 -0.69 1.67 3.38 -1.33 -0.65 115.31 118.10 3ita h LEU 252 Ca 0.06 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.01 3ita h LEU 252 Cb 0.37 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3ita h LEU 252 CO 0.01 0.30 0.38 0.74 0.09 0.00 0.00 178.44 179.96 3ita h THR 253 N 0.29 0.94 -0.55 0.22 2.02 -1.29 -2.05 112.91 112.49 3ita h THR 253 Ca 0.09 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3ita h THR 253 Cb 0.06 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 3ita h THR 253 CO -0.01 0.12 0.21 -0.25 0.37 0.00 0.00 175.52 175.96 3ita h TRP 254 N 0.68 0.84 -0.50 3.16 7.01 -0.86 -1.83 115.95 124.46 3ita h TRP 254 Ca 0.32 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 3ita h TRP 254 Cb 0.23 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 3ita h TRP 254 CO -0.08 0.69 0.23 0.78 -2.79 0.00 0.00 178.44 177.27 3ita h GLY 255 N 0.75 0.78 1.43 2.65 0.00 -0.70 -1.92 103.07 106.05 3ita h GLY 255 Ca 0.18 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3ita h GLY 255 CO -0.01 0.38 -0.25 0.74 0.00 0.00 0.00 176.54 177.40 3ita h PHE 256 N 0.66 0.74 -0.36 5.60 0.04 -1.34 -1.50 116.94 120.78 3ita h PHE 256 Ca 0.17 -0.17 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 3ita h PHE 256 Cb 0.14 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3ita h PHE 256 CO -0.00 0.84 -0.12 -0.09 -0.60 0.00 0.00 178.31 178.34 3ita h ARG 257 N 0.57 0.71 -0.00 1.51 2.43 -1.04 -3.34 114.38 115.22 3ita h ARG 257 Ca 0.08 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3ita h ARG 257 Cb 0.73 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3ita h ARG 257 CO 0.06 0.88 -0.91 1.19 -1.51 0.00 0.00 179.97 179.67 3ita n PHE 258 N -4.37 0.00 -4.08 2.20 3.72 -0.75 -4.75 117.46 109.44 3ita n PHE 258 Ca -0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.25 3ita n PHE 258 Cb 0.36 -0.02 -0.11 0.00 -0.94 0.00 0.00 39.48 38.77 3ita n PHE 258 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3ita s PHE 259 N -2.96 0.73 0.06 1.38 0.40 -0.57 -1.22 117.98 115.80 3ita s PHE 259 Ca 0.09 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 3ita s PHE 259 Cb 0.16 -0.43 -0.04 0.00 0.51 0.00 0.00 43.02 43.22 3ita s PHE 259 CO 0.83 -0.08 -0.05 -1.83 0.70 0.00 0.00 175.22 174.79 3ita s GLU 260 N -1.80 0.64 -0.03 0.44 -1.05 0.14 -4.56 118.70 112.48 3ita s GLU 260 Ca -0.07 -1.14 0.06 0.00 -0.15 0.00 0.00 54.97 53.67 3ita s GLU 260 Cb -0.09 -0.00 -0.01 0.00 -0.44 0.00 0.00 34.13 33.59 3ita s GLU 260 CO 0.00 -0.05 -0.22 0.99 0.95 0.00 0.00 175.26 176.93 3ita s THR 261 N -3.25 1.77 0.13 1.83 2.01 -1.26 -0.90 115.64 115.97 3ita s THR 261 Ca 0.04 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.11 3ita s THR 261 Cb 0.03 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 3ita s THR 261 CO -0.06 0.50 0.00 0.68 -0.69 0.00 0.00 174.62 175.05 3ita s VAL 262 N -0.36 0.44 -0.54 3.82 -7.23 -0.43 -4.90 120.40 111.19 3ita s VAL 262 Ca 0.04 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.32 3ita s VAL 262 Cb -0.10 -1.94 0.16 0.00 0.56 0.00 0.00 36.38 35.06 3ita s VAL 262 CO 0.01 -0.62 0.38 -0.89 -0.31 0.00 0.00 175.10 173.66 3ita s THR 263 N -3.81 1.65 0.37 5.32 2.01 -1.26 -0.58 115.64 119.34 3ita s THR 263 Ca 0.19 -3.28 0.25 0.00 0.31 0.00 0.00 61.69 59.16 3ita s THR 263 Cb 0.07 -2.11 0.26 0.00 0.01 0.00 0.00 72.50 70.73 3ita s THR 263 CO -0.00 -1.05 2.01 -0.65 -0.69 0.00 0.00 174.62 174.23 3ita h PRO 264 N 5.83 0.00 -3.94 4.92 0.11 -1.97 -3.38 132.00 133.57 3ita h PRO 264 Ca 0.15 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.67 3ita h PRO 264 Cb 0.85 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.57 3ita h PRO 264 CO 0.54 0.16 -0.76 0.42 -0.21 0.00 0.00 178.00 178.15 3ita s ILE 265 N -4.13 1.16 0.54 4.15 1.01 -1.24 -5.12 121.20 117.56 3ita s ILE 265 Ca -0.02 -1.24 -0.16 0.00 0.00 0.00 0.00 60.65 59.23 3ita s ILE 265 Cb 0.13 -1.67 -0.07 0.00 0.01 0.00 0.00 42.46 40.86 3ita s ILE 265 CO 0.61 -0.37 1.00 -0.54 0.00 0.00 0.00 174.94 175.64 3ita s LYS 266 N 1.52 3.82 0.53 2.79 1.02 -1.26 -4.26 119.74 123.91 3ita s LYS 266 Ca 0.02 0.96 -0.22 0.00 0.02 0.00 0.00 55.97 56.75 3ita s LYS 266 Cb -0.18 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.96 3ita s LYS 266 CO -0.13 -0.38 1.38 -2.14 -0.92 0.00 0.00 175.35 173.16 3ita s PRO 267 N -4.20 3.21 0.00 -1.68 0.02 -1.23 -1.08 135.00 130.04 3ita s PRO 267 Ca 0.59 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3ita s PRO 267 Cb -0.11 -2.32 0.00 0.00 0.02 0.00 0.00 34.50 32.09 3ita s PRO 267 CO 0.35 -1.15 0.00 -0.25 -0.33 0.00 0.00 177.00 175.61 3ita n ASP 268 N -0.90 0.00 -4.84 2.53 8.00 -1.26 -4.99 116.55 115.08 3ita n ASP 268 Ca 0.10 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.27 3ita n ASP 268 Cb 0.44 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 3ita n ASP 268 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ita s ALA 269 N -1.36 3.30 0.01 2.24 0.00 -0.24 -5.04 121.76 120.68 3ita s ALA 269 Ca 0.00 0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.79 3ita s ALA 269 Cb 0.00 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 3ita s ALA 269 CO 0.00 0.31 0.80 0.99 0.00 0.00 0.00 175.76 177.86 3ita s THR 270 N -1.95 4.82 -0.15 0.00 2.01 -1.26 -4.44 115.64 114.68 3ita s THR 270 Ca 0.54 1.68 -0.10 0.00 0.31 0.00 0.00 61.69 64.12 3ita s THR 270 Cb -0.11 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 3ita s THR 270 CO 0.17 0.30 -0.14 0.33 -0.69 0.00 0.00 174.62 174.59 3ita n PHE 271 N 3.25 0.94 -4.12 4.92 -0.00 0.55 -4.98 117.46 118.03 3ita n PHE 271 Ca -0.00 0.41 -0.14 0.00 -0.00 0.00 0.00 57.45 57.72 3ita n PHE 271 Cb 0.51 -0.81 -0.11 0.00 -0.00 0.00 0.00 39.48 39.07 3ita n PHE 271 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 3ita s VAL 272 N -2.25 0.73 -0.10 -2.13 -7.23 -0.93 -5.00 120.40 103.49 3ita s VAL 272 Ca -0.16 -1.35 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 3ita s VAL 272 Cb 0.02 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.95 3ita s VAL 272 CO 0.25 -0.47 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.66 3ita s THR 273 N -1.91 4.00 0.08 5.32 2.01 -1.26 -0.39 115.64 123.50 3ita s THR 273 Ca -0.03 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 61.68 3ita s THR 273 Cb -0.06 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 3ita s THR 273 CO -0.00 0.56 -0.15 -1.10 -0.69 0.00 0.00 174.62 173.24 3ita s GLN 274 N -0.44 0.88 0.52 4.92 -1.52 -0.42 -4.95 119.66 118.66 3ita s GLN 274 Ca 0.07 -1.01 -0.21 0.00 -1.95 0.00 0.00 55.36 52.26 3ita s GLN 274 Cb -0.12 -0.92 -0.06 0.00 -0.22 0.00 0.00 33.01 31.70 3ita s GLN 274 CO 0.02 0.20 1.23 0.50 -0.25 0.00 0.00 175.29 176.99 3ita s ARG 275 N -1.86 3.36 -0.02 2.91 3.52 -1.26 -0.27 118.95 125.34 3ita s ARG 275 Ca 0.00 1.91 0.06 0.00 -0.13 0.00 0.00 55.73 57.58 3ita s ARG 275 Cb -0.09 -2.22 -0.01 0.00 -1.56 0.00 0.00 34.95 31.06 3ita s ARG 275 CO 0.03 -0.91 -0.20 0.54 -0.81 0.00 0.00 175.30 173.94 3ita s VAL 276 N -1.50 1.57 -0.11 7.11 0.11 -0.03 -4.22 120.40 123.33 3ita s VAL 276 Ca 0.70 -0.85 -0.14 0.00 -2.93 0.00 0.00 61.98 58.76 3ita s VAL 276 Cb -0.32 -1.31 -0.05 0.00 -1.53 0.00 0.00 36.38 33.17 3ita s VAL 276 CO 0.38 0.44 0.33 0.26 -3.33 0.00 0.00 175.10 173.18 3ita s TRP 277 N -0.44 3.54 -0.76 1.54 0.52 -0.21 -4.51 118.94 118.62 3ita s TRP 277 Ca 0.07 0.72 0.00 0.00 0.02 0.00 0.00 56.10 56.91 3ita s TRP 277 Cb -0.08 -2.31 0.00 0.00 -1.15 0.00 0.00 33.47 29.93 3ita s TRP 277 CO -0.01 0.38 0.00 1.19 0.02 0.00 0.00 176.95 178.53 3ita n PHE 278 N 3.01 -0.26 -3.82 -1.98 3.72 -1.26 -1.21 117.46 115.66 3ita n PHE 278 Ca -0.13 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.03 3ita n PHE 278 Cb 0.52 -2.00 -0.02 0.00 -0.94 0.00 0.00 39.48 37.04 3ita n PHE 278 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ita s GLY 279 N -2.73 2.30 0.00 1.37 0.00 -1.26 -0.76 107.32 106.24 3ita s GLY 279 Ca 0.00 -1.53 0.29 0.00 0.00 0.00 0.00 44.72 43.48 3ita s GLY 279 CO 0.00 -1.88 1.85 2.09 0.00 0.00 0.00 173.10 175.16 3ita n ASP 280 N -1.66 1.18 -4.24 1.64 5.75 0.01 -4.12 116.55 115.11 3ita n ASP 280 Ca 0.00 -1.39 -0.17 0.00 -0.01 0.00 0.00 54.79 53.21 3ita n ASP 280 Cb 0.64 -0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.62 3ita n ASP 280 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ita s LYS 281 N -2.00 1.01 0.02 0.11 1.02 -1.26 -5.00 119.74 113.64 3ita s LYS 281 Ca 0.40 -1.25 0.23 0.00 0.02 0.00 0.00 55.97 55.38 3ita s LYS 281 Cb 0.21 -0.86 0.16 0.00 -0.52 0.00 0.00 37.83 36.82 3ita s LYS 281 CO 0.34 0.16 1.15 -1.13 -0.92 0.00 0.00 175.35 174.95 3ita n SER 282 N 0.48 0.68 -4.05 2.83 3.41 -1.26 -4.67 113.62 111.04 3ita n SER 282 Ca -0.15 -0.45 -0.09 0.00 -0.26 0.00 0.00 58.87 57.92 3ita n SER 282 Cb 0.57 0.63 -0.11 0.00 -0.26 0.00 0.00 64.21 65.05 3ita n SER 282 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ita s GLU 283 N -3.06 0.49 0.01 4.33 2.02 -1.26 -0.85 118.70 120.38 3ita s GLU 283 Ca 0.08 -0.92 0.02 0.00 0.02 0.00 0.00 54.97 54.17 3ita s GLU 283 Cb 0.16 0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 3ita s GLU 283 CO 0.78 -0.06 -0.08 0.54 0.02 0.00 0.00 175.26 176.46 3ita s VAL 284 N -2.60 0.59 0.14 2.63 0.11 0.62 -4.83 120.40 117.07 3ita s VAL 284 Ca -0.04 -0.47 -0.28 0.00 -2.93 0.00 0.00 61.98 58.26 3ita s VAL 284 Cb -0.02 -0.53 -0.07 0.00 -1.53 0.00 0.00 36.38 34.24 3ita s VAL 284 CO -0.05 0.06 0.89 0.20 -3.33 0.00 0.00 175.10 172.87 3ita s ASN 285 N -0.45 7.47 0.05 3.54 0.02 -1.26 -1.30 114.94 123.01 3ita s ASN 285 Ca 0.01 1.75 0.07 0.00 -1.02 0.00 0.00 52.86 53.67 3ita s ASN 285 Cb -0.04 -2.56 -0.03 0.00 0.02 0.00 0.00 41.25 38.64 3ita s ASN 285 CO -0.00 0.06 -0.20 -0.76 0.02 0.00 0.00 177.10 176.21 3ita s LEU 286 N -0.53 2.18 0.00 0.60 1.43 0.48 -0.42 118.68 122.43 3ita s LEU 286 Ca 0.42 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3ita s LEU 286 Cb -0.24 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.03 3ita s LEU 286 CO 0.29 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.62 3ita n GLY 287 N 1.76 3.13 0.00 -3.19 0.00 0.12 -0.33 105.19 106.67 3ita n GLY 287 Ca -0.17 -1.14 0.09 0.00 0.00 0.00 0.00 46.02 44.79 3ita n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ita n ALA 288 N -3.00 3.88 -0.53 4.61 0.00 -1.26 -0.93 120.51 123.29 3ita n ALA 288 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3ita n ALA 288 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3ita n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ita n GLY 289 N 1.43 3.23 0.06 0.00 0.00 -1.26 -2.14 105.19 106.51 3ita n GLY 289 Ca 0.01 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3ita n GLY 289 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ita n GLU 290 N 14.00 0.31 -0.93 1.61 -0.58 -1.26 -3.51 120.64 130.27 3ita n GLU 290 Ca 0.00 -0.12 -0.06 0.00 -0.42 0.00 0.00 57.16 56.56 3ita n GLU 290 Cb 0.00 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 29.64 3ita n GLU 290 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ita n ALA 291 N -1.24 4.46 0.21 0.62 0.00 -0.91 -4.49 120.51 119.16 3ita n ALA 291 Ca 0.10 -2.56 0.12 0.00 0.00 0.00 0.00 53.44 51.09 3ita n ALA 291 Cb 0.32 -1.11 0.23 0.00 0.00 0.00 0.00 19.45 18.88 3ita n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ita n GLY 292 N -0.52 1.84 3.85 0.00 0.00 -1.26 -4.87 105.19 104.23 3ita n GLY 292 Ca 0.40 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 3ita n GLY 292 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ita s SER 293 N -1.42 6.80 -0.00 1.61 0.01 -1.26 -3.56 113.70 115.88 3ita s SER 293 Ca 0.40 1.17 -0.01 0.00 1.31 0.00 0.00 55.95 58.82 3ita s SER 293 Cb 0.23 -2.32 -0.00 0.00 0.21 0.00 0.00 66.02 64.14 3ita s SER 293 CO 0.32 -0.06 0.01 0.54 0.41 0.00 0.00 173.24 174.46 3ita s VAL 294 N -1.74 0.01 -0.13 3.43 0.11 0.25 -4.60 120.40 117.73 3ita s VAL 294 Ca 0.47 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.41 3ita s VAL 294 Cb -0.13 -0.06 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 3ita s VAL 294 CO 0.19 -0.05 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.94 3ita s THR 295 N -0.14 3.51 0.12 5.04 2.01 -1.26 -1.32 115.64 123.60 3ita s THR 295 Ca -0.02 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.48 3ita s THR 295 Cb -0.01 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 3ita s THR 295 CO -0.00 0.53 -0.01 0.27 -0.69 0.00 0.00 174.62 174.71 3ita s ILE 296 N 0.12 0.52 0.28 1.82 -4.36 -0.07 -4.96 121.20 114.54 3ita s ILE 296 Ca -0.04 -1.93 -0.30 0.00 -0.26 0.00 0.00 60.65 58.12 3ita s ILE 296 Cb -0.14 -1.88 -0.13 0.00 1.25 0.00 0.00 42.46 41.56 3ita s ILE 296 CO 0.04 -0.67 1.45 -2.65 0.24 0.00 0.00 174.94 173.35 3ita n PRO 297 N -0.10 2.28 -1.78 0.37 -0.02 -1.26 -0.69 135.00 133.80 3ita n PRO 297 Ca -0.09 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 3ita n PRO 297 Cb 0.62 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3ita n PRO 297 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3ita s ARG 298 N -0.71 4.15 0.00 -0.52 3.52 -0.36 -1.89 118.95 123.14 3ita s ARG 298 Ca 0.64 2.55 0.00 0.00 -0.13 0.00 0.00 55.73 58.79 3ita s ARG 298 Cb -0.58 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 3ita s ARG 298 CO 0.52 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 3ita n GLY 299 N 3.75 0.33 0.89 8.12 0.00 -1.26 -4.93 105.19 112.09 3ita n GLY 299 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 3ita n GLY 299 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ita n GLN 300 N -1.62 2.23 -0.32 1.61 1.13 -0.79 -4.39 117.38 115.23 3ita n GLN 300 Ca 0.00 -2.03 0.13 0.00 -1.94 0.00 0.00 57.00 53.16 3ita n GLN 300 Cb 0.00 -1.39 0.35 0.00 0.11 0.00 0.00 30.24 29.31 3ita n GLN 300 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3ita h LEU 301 N 3.33 0.72 -1.78 1.08 5.85 -1.93 -0.86 115.31 121.73 3ita h LEU 301 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3ita h LEU 301 Cb 0.81 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3ita h LEU 301 CO 0.00 0.31 0.00 0.07 -0.34 0.00 0.00 178.44 178.48 3ita h LYS 302 N 0.73 0.00 -0.01 1.25 2.10 -1.98 -2.03 116.57 116.63 3ita h LYS 302 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 3ita h LYS 302 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 3ita h LYS 302 CO -0.29 0.00 -0.31 0.09 -2.00 0.00 0.00 179.45 176.94 3ita n ASN 303 N -2.70 1.61 -4.72 7.07 3.02 -0.36 -4.98 115.26 114.21 3ita n ASN 303 Ca -0.01 -1.30 -0.42 0.00 -0.03 0.00 0.00 54.58 52.82 3ita n ASN 303 Cb 0.15 0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.74 3ita n ASN 303 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3ita s LEU 304 N -1.96 4.37 0.23 3.41 2.96 -0.76 -4.39 118.68 122.53 3ita s LEU 304 Ca 0.13 2.60 0.11 0.00 -0.22 0.00 0.00 54.13 56.75 3ita s LEU 304 Cb 0.12 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 3ita s LEU 304 CO 0.38 -0.82 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.84 3ita s LYS 305 N 1.19 1.63 0.02 1.98 -0.14 -0.33 -4.99 119.74 119.09 3ita s LYS 305 Ca 0.70 -1.60 0.01 0.00 -1.36 0.00 0.00 55.97 53.72 3ita s LYS 305 Cb -0.43 -1.85 -0.01 0.00 -1.68 0.00 0.00 37.83 33.86 3ita s LYS 305 CO 0.31 0.38 -0.04 0.00 -0.76 0.00 0.00 175.35 175.24 3ita s ALA 306 N -1.99 0.25 0.14 5.17 0.00 -1.26 -0.81 121.76 123.26 3ita s ALA 306 Ca 0.25 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 3ita s ALA 306 Cb -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3ita s ALA 306 CO 0.12 -0.04 0.18 -1.54 0.00 0.00 0.00 175.76 174.49 3ita s SER 307 N -0.89 0.16 0.09 0.00 1.04 0.02 -4.99 113.70 109.13 3ita s SER 307 Ca -0.07 -0.98 0.07 0.00 0.48 0.00 0.00 55.95 55.44 3ita s SER 307 Cb -0.06 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 3ita s SER 307 CO -0.00 -0.81 -0.18 -0.72 0.98 0.00 0.00 173.24 172.50 3ita s TYR 308 N -3.99 1.58 -0.07 5.02 1.13 -1.26 -0.83 117.35 118.93 3ita s TYR 308 Ca 0.19 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 55.41 3ita s TYR 308 Cb 0.05 -0.87 0.02 0.00 -1.10 0.00 0.00 41.96 40.06 3ita s TYR 308 CO -0.00 0.15 -0.05 0.99 -2.51 0.00 0.00 175.55 174.13 3ita s THR 309 N -1.22 0.69 0.01 -3.49 2.01 -0.33 -4.99 115.64 108.32 3ita s THR 309 Ca 0.04 -0.15 -0.23 0.00 0.31 0.00 0.00 61.69 61.65 3ita s THR 309 Cb -0.10 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 3ita s THR 309 CO 0.04 0.28 0.70 -0.76 -0.69 0.00 0.00 174.62 174.19 3ita s LEU 310 N 1.31 4.41 0.16 4.42 1.43 -1.26 -0.70 118.68 128.45 3ita s LEU 310 Ca -0.04 1.31 -0.16 0.00 -1.03 0.00 0.00 54.13 54.21 3ita s LEU 310 Cb -0.14 -3.11 0.07 0.00 0.03 0.00 0.00 46.19 43.05 3ita s LEU 310 CO -0.02 0.02 1.77 0.74 0.23 0.00 0.00 176.35 179.08 3ita h THR 311 N 4.26 0.94 -1.88 5.49 2.02 -1.64 -3.44 112.91 118.65 3ita h THR 311 Ca -0.44 -0.12 -0.53 0.00 0.77 0.00 0.00 66.41 66.09 3ita h THR 311 Cb 1.20 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 3ita h THR 311 CO 0.71 0.06 -0.51 -1.61 0.37 0.00 0.00 175.52 174.55 3ita s GLU 312 N -6.15 2.48 0.39 6.66 0.41 -1.26 -5.04 118.70 116.19 3ita s GLU 312 Ca -0.13 -1.46 0.21 0.00 -0.41 0.00 0.00 54.97 53.18 3ita s GLU 312 Cb 0.12 -2.27 0.62 0.00 -1.78 0.00 0.00 34.13 30.82 3ita s GLU 312 CO 0.72 0.12 1.69 -1.35 -0.49 0.00 0.00 175.26 175.95 3ita h PRO 313 N 1.46 0.00 -4.93 0.39 0.11 -2.00 -3.45 132.00 123.59 3ita h PRO 313 Ca -0.44 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.36 3ita h PRO 313 Cb 1.25 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.22 3ita h PRO 313 CO 0.62 0.30 -0.69 -0.65 -0.21 0.00 0.00 178.00 177.37 3ita s GLN 314 N -3.42 1.09 -0.13 1.05 -1.52 -1.26 -5.15 119.66 110.32 3ita s GLN 314 Ca 0.02 -1.49 -0.03 0.00 -1.95 0.00 0.00 55.36 51.90 3ita s GLN 314 Cb 0.09 -0.46 -0.03 0.00 -0.22 0.00 0.00 33.01 32.39 3ita s GLN 314 CO 0.67 -0.02 -0.01 -0.51 -0.25 0.00 0.00 175.29 175.17 3ita s LEU 315 N -3.17 3.48 -0.03 2.90 1.02 -1.26 -5.05 118.68 116.56 3ita s LEU 315 Ca 0.20 0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.42 3ita s LEU 315 Cb 0.04 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 3ita s LEU 315 CO 0.02 0.26 -0.18 0.42 0.02 0.00 0.00 176.35 176.89 3ita s THR 316 N -0.19 1.49 0.89 5.49 -4.23 -1.26 -1.04 115.64 116.78 3ita s THR 316 Ca 0.05 -0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 59.67 3ita s THR 316 Cb -0.13 -1.25 0.13 0.00 1.34 0.00 0.00 72.50 72.59 3ita s THR 316 CO 0.02 0.42 1.10 0.00 -0.54 0.00 0.00 174.62 175.63 3ita s ALA 317 N -0.25 1.53 0.43 3.99 0.00 -0.35 -4.56 121.76 122.55 3ita s ALA 317 Ca 0.03 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 3ita s ALA 317 Cb -0.09 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 3ita s ALA 317 CO 0.01 -2.45 0.84 -1.25 0.00 0.00 0.00 175.76 172.91 3ita s PRO 318 N -4.79 3.88 -0.03 0.00 0.04 -1.26 -4.86 135.00 127.98 3ita s PRO 318 Ca 0.64 0.68 0.07 0.00 0.04 0.00 0.00 61.00 62.43 3ita s PRO 318 Cb -0.20 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 3ita s PRO 318 CO 0.58 -0.09 -0.24 -0.51 0.04 0.00 0.00 177.00 176.77 3ita s LEU 319 N -3.79 2.05 -0.12 -3.56 1.43 -0.03 -4.98 118.68 109.68 3ita s LEU 319 Ca 0.55 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3ita s LEU 319 Cb -0.10 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 3ita s LEU 319 CO 0.29 0.28 -0.04 -0.54 0.23 0.00 0.00 176.35 176.58 3ita s LYS 320 N -0.45 3.27 -0.26 1.70 1.02 -1.26 -1.16 119.74 122.59 3ita s LYS 320 Ca 0.06 -0.50 -0.36 0.00 0.02 0.00 0.00 55.97 55.18 3ita s LYS 320 Cb -0.11 -2.80 -0.16 0.00 -0.52 0.00 0.00 37.83 34.24 3ita s LYS 320 CO 0.00 0.46 1.15 1.17 -0.92 0.00 0.00 175.35 177.22 3ita n LYS 321 N 2.86 0.00 0.00 1.68 4.81 -1.26 -0.73 118.16 125.51 3ita n LYS 321 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 3ita n LYS 321 Cb 0.53 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.35 3ita n LYS 321 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ita n GLY 322 N 2.54 1.83 3.73 3.14 0.00 0.06 -4.97 105.19 111.50 3ita n GLY 322 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3ita n GLY 322 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ita s GLN 323 N -0.87 4.19 -0.18 1.61 0.74 0.09 -4.64 119.66 120.60 3ita s GLN 323 Ca 0.00 2.44 -0.26 0.00 0.05 0.00 0.00 55.36 57.58 3ita s GLN 323 Cb 0.00 -3.11 -0.01 0.00 1.10 0.00 0.00 33.01 30.99 3ita s GLN 323 CO 0.00 -0.61 0.89 0.08 -0.55 0.00 0.00 175.29 175.10 3ita s VAL 324 N 0.76 4.83 -0.01 1.34 1.01 -1.26 -1.13 120.40 125.94 3ita s VAL 324 Ca 0.68 1.74 0.02 0.00 0.00 0.00 0.00 61.98 64.42 3ita s VAL 324 Cb -0.45 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 31.77 3ita s VAL 324 CO 0.36 -0.02 0.86 1.33 0.00 0.00 0.00 175.10 177.63 3ita n VAL 325 N 4.87 0.71 -3.74 2.92 0.24 -0.32 -5.01 118.33 118.00 3ita n VAL 325 Ca 0.06 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 3ita n VAL 325 Cb 0.48 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 3ita n VAL 325 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ita n GLY 326 N -0.41 -0.55 3.22 7.63 0.00 -1.21 -1.56 105.19 112.32 3ita n GLY 326 Ca 0.02 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 3ita n GLY 326 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ita s THR 327 N -3.00 1.33 -0.13 2.61 -4.23 0.12 -0.27 115.64 112.07 3ita s THR 327 Ca 0.00 -1.51 -0.05 0.00 -1.18 0.00 0.00 61.69 58.95 3ita s THR 327 Cb 0.00 -1.35 -0.04 0.00 1.34 0.00 0.00 72.50 72.45 3ita s THR 327 CO 0.00 -0.26 0.05 -0.63 -0.54 0.00 0.00 174.62 173.24 3ita s ILE 328 N -1.57 4.67 -0.06 2.99 1.01 0.22 -1.19 121.20 127.26 3ita s ILE 328 Ca 0.04 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.62 3ita s ILE 328 Cb -0.08 -3.04 0.01 0.00 0.01 0.00 0.00 42.46 39.36 3ita s ILE 328 CO 0.03 0.55 -0.13 -1.81 0.00 0.00 0.00 174.94 173.58 3ita s ASP 329 N -0.37 1.84 -0.11 3.58 1.01 -0.01 -0.52 116.67 122.10 3ita s ASP 329 Ca 0.09 -0.31 -0.03 0.00 0.71 0.00 0.00 52.55 53.01 3ita s ASP 329 Cb -0.12 -0.83 -0.03 0.00 1.01 0.00 0.00 42.92 42.95 3ita s ASP 329 CO 0.02 0.05 0.01 -0.36 0.21 0.00 0.00 175.17 175.09 3ita s PHE 330 N 0.60 3.17 0.12 4.23 0.40 -0.17 -0.80 117.98 125.53 3ita s PHE 330 Ca -0.14 0.13 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 3ita s PHE 330 Cb -0.15 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 3ita s PHE 330 CO 0.04 0.38 -0.15 -0.65 0.70 0.00 0.00 175.22 175.54 3ita s GLN 331 N -0.60 1.03 -0.10 0.44 1.11 0.01 -0.79 119.66 120.76 3ita s GLN 331 Ca 0.10 -1.22 -0.04 0.00 0.01 0.00 0.00 55.36 54.20 3ita s GLN 331 Cb -0.12 -0.95 0.05 0.00 -1.01 0.00 0.00 33.01 30.98 3ita s GLN 331 CO 0.02 0.19 0.22 -1.17 0.01 0.00 0.00 175.29 174.56 3ita s LEU 332 N -2.38 0.15 0.00 2.90 2.96 -0.88 -1.19 118.68 120.24 3ita s LEU 332 Ca 0.08 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 3ita s LEU 332 Cb -0.06 0.60 0.00 0.00 0.50 0.00 0.00 46.19 47.23 3ita s LEU 332 CO 0.03 -0.20 0.00 0.59 -1.32 0.00 0.00 176.35 175.45 3ita n ASN 333 N 4.75 0.00 -0.18 3.68 3.02 -1.26 -2.31 115.26 122.96 3ita n ASN 333 Ca -0.16 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.30 3ita n ASN 333 Cb 0.51 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.69 3ita n ASN 333 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3ita h GLY 334 N 0.00 0.91 -2.64 7.41 0.00 -1.99 -3.48 103.07 103.28 3ita h GLY 334 Ca 0.00 -0.61 -0.62 0.00 0.00 0.00 0.00 47.33 46.10 3ita h GLY 334 CO 0.00 0.57 -0.77 -1.59 0.00 0.00 0.00 176.54 174.75 3ita s LYS 335 N -5.18 1.70 -0.03 4.80 -2.85 -0.98 -5.07 119.74 112.15 3ita s LYS 335 Ca -0.13 -1.63 -0.30 0.00 -1.00 0.00 0.00 55.97 52.91 3ita s LYS 335 Cb 0.12 -1.85 -0.05 0.00 -2.06 0.00 0.00 37.83 33.98 3ita s LYS 335 CO 0.81 0.36 1.47 0.45 0.10 0.00 0.00 175.35 178.54 3ita s SER 336 N -3.21 6.79 -0.00 0.03 0.15 -1.26 -2.07 113.70 114.13 3ita s SER 336 Ca 0.27 2.13 0.11 0.00 0.70 0.00 0.00 55.95 59.16 3ita s SER 336 Cb -0.06 -2.55 -0.14 0.00 -1.71 0.00 0.00 66.02 61.56 3ita s SER 336 CO 0.14 -0.79 0.42 2.30 1.20 0.00 0.00 173.24 176.50 3ita n ILE 337 N 4.95 0.00 -3.64 6.45 -5.35 0.03 -4.98 119.36 116.83 3ita n ILE 337 Ca 0.14 -0.24 -0.09 0.00 -0.27 0.00 0.00 62.75 62.29 3ita n ILE 337 Cb 0.43 0.77 -0.07 0.00 -1.74 0.00 0.00 39.64 39.04 3ita n ILE 337 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3ita s GLU 338 N -2.29 0.71 -0.06 6.28 2.56 -1.19 -5.00 118.70 119.71 3ita s GLU 338 Ca 0.02 1.04 0.06 0.00 0.00 0.00 0.00 54.97 56.09 3ita s GLU 338 Cb 0.08 0.24 -0.01 0.00 2.00 0.00 0.00 34.13 36.44 3ita s GLU 338 CO 0.47 -0.12 -0.25 -1.14 -0.56 0.00 0.00 175.26 173.67 3ita s GLN 339 N 1.04 2.61 0.21 4.30 0.74 -1.26 -1.00 119.66 126.31 3ita s GLN 339 Ca -0.05 -0.90 0.08 0.00 0.05 0.00 0.00 55.36 54.54 3ita s GLN 339 Cb -0.05 -2.19 -0.05 0.00 1.10 0.00 0.00 33.01 31.83 3ita s GLN 339 CO -0.11 0.36 -0.15 1.03 -0.55 0.00 0.00 175.29 175.87 3ita s ARG 340 N -0.12 1.37 0.37 1.67 1.81 0.33 -4.97 118.95 119.41 3ita s ARG 340 Ca -0.05 -1.60 -0.28 0.00 -1.72 0.00 0.00 55.73 52.09 3ita s ARG 340 Cb -0.14 -1.22 -0.10 0.00 -0.45 0.00 0.00 34.95 33.04 3ita s ARG 340 CO 0.04 0.21 1.36 -2.14 -0.68 0.00 0.00 175.30 174.09 3ita s PRO 341 N -3.56 4.14 -0.33 3.54 0.02 -1.26 0.70 135.00 138.24 3ita s PRO 341 Ca 0.23 2.31 -0.14 0.00 0.02 0.00 0.00 61.00 63.42 3ita s PRO 341 Cb -0.02 -2.93 -0.02 0.00 0.02 0.00 0.00 34.50 31.55 3ita s PRO 341 CO 0.08 -0.40 0.29 -1.17 -0.33 0.00 0.00 177.00 175.47 3ita s LEU 342 N -2.11 4.41 0.11 -5.54 2.96 0.63 -4.46 118.68 114.68 3ita s LEU 342 Ca 0.53 -0.27 0.09 0.00 -0.22 0.00 0.00 54.13 54.26 3ita s LEU 342 Cb -0.41 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 3ita s LEU 342 CO 0.55 -0.26 -0.19 0.27 -1.32 0.00 0.00 176.35 175.40 3ita s ILE 343 N 1.87 2.78 0.19 6.68 -4.36 -0.11 -1.17 121.20 127.08 3ita s ILE 343 Ca 0.09 -1.48 -0.30 0.00 -0.26 0.00 0.00 60.65 58.70 3ita s ILE 343 Cb -0.17 -2.26 -0.09 0.00 1.25 0.00 0.00 42.46 41.20 3ita s ILE 343 CO 0.11 0.13 1.35 -0.69 0.24 0.00 0.00 174.94 176.08 3ita s VAL 344 N -1.10 3.13 -0.74 8.37 1.01 -0.28 0.14 120.40 130.93 3ita s VAL 344 Ca 0.17 0.90 0.22 0.00 0.00 0.00 0.00 61.98 63.27 3ita s VAL 344 Cb -0.10 -3.58 -0.21 0.00 0.00 0.00 0.00 36.38 32.49 3ita s VAL 344 CO 0.09 0.12 0.88 0.23 0.00 0.00 0.00 175.10 176.43 3ita n MET 345 N 2.86 0.18 -3.79 2.72 0.00 0.44 -0.76 117.12 118.78 3ita n MET 345 Ca 0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 57.70 57.61 3ita n MET 345 Cb 0.42 -1.52 -0.10 0.00 0.00 0.00 0.00 33.22 32.02 3ita n MET 345 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 3ita s GLU 346 N -3.14 0.52 0.32 0.03 -1.05 -1.26 -4.85 118.70 109.28 3ita s GLU 346 Ca 0.04 -0.05 -0.28 0.00 -0.15 0.00 0.00 54.97 54.53 3ita s GLU 346 Cb 0.15 0.23 -0.10 0.00 -0.44 0.00 0.00 34.13 33.98 3ita s GLU 346 CO 0.85 -0.12 1.19 -0.80 0.95 0.00 0.00 175.26 177.32 3ita s ASN 347 N -0.87 6.96 -0.21 0.83 0.02 -1.26 -4.14 114.94 116.27 3ita s ASN 347 Ca -0.10 2.43 -0.00 0.00 -1.02 0.00 0.00 52.86 54.18 3ita s ASN 347 Cb -0.05 -2.63 0.05 0.00 0.02 0.00 0.00 41.25 38.65 3ita s ASN 347 CO 0.02 -0.37 -0.03 -0.69 0.02 0.00 0.00 177.10 176.05 3ita s VAL 348 N -1.20 1.18 0.66 1.60 1.01 -0.31 -4.98 120.40 118.36 3ita s VAL 348 Ca 0.48 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 3ita s VAL 348 Cb -0.35 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3ita s VAL 348 CO 0.45 -0.06 1.07 -1.61 0.00 0.00 0.00 175.10 174.94 3ita s GLU 349 N 1.57 2.99 0.29 2.72 0.41 -1.26 -0.85 118.70 124.56 3ita s GLU 349 Ca -0.03 1.13 -0.28 0.00 -0.41 0.00 0.00 54.97 55.39 3ita s GLU 349 Cb -0.17 -1.99 -0.14 0.00 -1.78 0.00 0.00 34.13 30.04 3ita s GLU 349 CO -0.07 -1.07 0.93 0.39 -0.49 0.00 0.00 175.26 174.95 3ita n GLU 350 N -2.65 1.14 -1.13 1.61 1.02 -1.26 -0.81 120.64 118.56 3ita n GLU 350 Ca 0.09 0.40 -0.30 0.00 -0.02 0.00 0.00 57.16 57.33 3ita n GLU 350 Cb 0.53 -1.72 0.14 0.00 -0.02 0.00 0.00 31.44 30.36 3ita n GLU 350 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ita s GLY 351 N -0.64 1.63 0.00 0.62 0.00 0.06 -4.23 107.32 104.77 3ita s GLY 351 Ca 0.60 0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3ita s GLY 351 CO 0.59 0.53 0.00 0.61 0.00 0.00 0.00 173.10 174.83