#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cak s ARG 36 N 0.00 4.23 -0.26 -1.24 0.52 -1.26 -4.36 118.95 116.57 3cak s ARG 36 Ca 0.00 1.23 -0.11 0.00 -0.52 0.00 0.00 55.73 56.33 3cak s ARG 36 Cb 0.00 -2.32 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 3cak s ARG 36 CO 0.00 -0.04 0.17 0.42 0.02 0.00 0.00 175.30 175.88 3cak s ILE 37 N -2.00 5.28 0.03 1.52 1.01 0.34 -4.49 121.20 122.88 3cak s ILE 37 Ca 0.60 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 3cak s ILE 37 Cb -0.13 -3.49 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 3cak s ILE 37 CO 0.17 0.29 1.73 0.20 0.00 0.00 0.00 174.94 177.33 3cak s ASN 38 N 1.52 6.58 0.45 3.58 0.01 -1.26 -0.03 114.94 125.78 3cak s ASN 38 Ca 0.07 2.47 0.05 0.00 -0.71 0.00 0.00 52.86 54.74 3cak s ASN 38 Cb -0.15 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 3cak s ASN 38 CO 0.09 -0.94 0.04 0.42 -1.51 0.00 0.00 177.10 175.20 3cak s THR 39 N 3.40 1.75 -0.53 1.60 -4.23 -0.71 -4.12 115.64 112.80 3cak s THR 39 Ca 0.77 -1.95 0.24 0.00 -1.18 0.00 0.00 61.69 59.57 3cak s THR 39 Cb -0.39 -2.70 0.25 0.00 1.34 0.00 0.00 72.50 71.00 3cak s THR 39 CO 0.34 0.00 1.72 1.33 -0.54 0.00 0.00 174.62 177.47 3cak n VAL 40 N -1.12 0.79 0.16 2.29 0.24 0.57 -1.42 118.33 119.83 3cak n VAL 40 Ca -0.09 0.14 0.12 0.00 -2.04 0.00 0.00 64.34 62.47 3cak n VAL 40 Cb 0.67 -1.06 0.24 0.00 -1.47 0.00 0.00 33.84 32.22 3cak n VAL 40 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3cak n ARG 41 N -2.23 2.57 0.00 7.34 1.74 -1.26 -4.84 116.66 119.98 3cak n ARG 41 Ca 0.03 -2.38 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 3cak n ARG 41 Cb 0.26 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3cak n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cak n GLY 42 N 1.55 1.54 3.73 -0.13 0.00 -0.51 -5.05 105.19 106.33 3cak n GLY 42 Ca 0.21 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 3cak n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cak s PRO 43 N -1.41 4.39 0.24 1.61 0.04 -1.26 -1.73 135.00 136.88 3cak s PRO 43 Ca 0.00 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.18 3cak s PRO 43 Cb 0.00 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 3cak s PRO 43 CO 0.00 -0.25 -0.16 0.96 0.04 0.00 0.00 177.00 177.58 3cak s ILE 44 N 0.22 2.71 0.55 0.56 -4.36 0.95 -4.87 121.20 116.97 3cak s ILE 44 Ca 0.57 -2.10 -0.12 0.00 -0.26 0.00 0.00 60.65 58.74 3cak s ILE 44 Cb -0.36 -2.38 -0.05 0.00 1.25 0.00 0.00 42.46 40.92 3cak s ILE 44 CO 0.37 -0.26 0.96 0.42 0.24 0.00 0.00 174.94 176.67 3cak s THR 45 N -2.10 4.68 0.28 8.37 -4.23 -1.26 -0.51 115.64 120.88 3cak s THR 45 Ca 0.27 0.88 0.03 0.00 -1.18 0.00 0.00 61.69 61.69 3cak s THR 45 Cb -0.07 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.24 3cak s THR 45 CO 0.14 -0.91 1.75 0.40 -0.54 0.00 0.00 174.62 175.45 3cak h ILE 46 N 0.26 0.64 -0.18 2.99 2.04 -1.96 0.34 117.51 121.64 3cak h ILE 46 Ca -0.45 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.25 3cak h ILE 46 Cb 1.19 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3cak h ILE 46 CO 0.62 0.11 0.21 0.77 0.00 0.00 0.00 178.15 179.86 3cak h SER 47 N 0.60 0.00 0.34 1.72 4.64 -2.00 -2.70 113.55 116.14 3cak h SER 47 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3cak h SER 47 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3cak h SER 47 CO -0.42 0.00 -1.02 -0.62 -0.87 0.00 0.00 176.83 173.90 3cak n GLU 48 N -3.71 0.23 -0.19 4.77 -0.58 0.10 -4.36 120.64 116.90 3cak n GLU 48 Ca 0.02 -0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 3cak n GLU 48 Cb 0.33 -1.56 0.01 0.00 -0.57 0.00 0.00 31.44 29.66 3cak n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3cak h ALA 49 N 2.64 0.72 -0.88 0.62 0.00 -1.41 -3.48 119.26 117.47 3cak h ALA 49 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3cak h ALA 49 Cb 0.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3cak h ALA 49 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 3cak n GLY 50 N -0.51 0.96 3.65 0.00 0.00 -1.26 -3.61 105.19 104.42 3cak n GLY 50 Ca 0.02 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 3cak n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3cak s PHE 51 N 0.00 1.36 -0.12 1.61 2.19 -1.26 -4.59 117.98 117.17 3cak s PHE 51 Ca 0.00 -0.15 0.03 0.00 0.33 0.00 0.00 56.93 57.13 3cak s PHE 51 Cb 0.00 -4.14 0.01 0.00 -1.31 0.00 0.00 43.02 37.58 3cak s PHE 51 CO 0.00 -5.00 -0.21 0.99 1.83 0.00 0.00 175.22 172.83 3cak s THR 52 N 5.25 1.91 -0.32 0.12 2.01 -0.13 -1.24 115.64 123.24 3cak s THR 52 Ca 0.89 -0.90 -0.22 0.00 0.31 0.00 0.00 61.69 61.76 3cak s THR 52 Cb -0.39 -1.69 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 3cak s THR 52 CO 0.39 0.52 0.72 -0.76 -0.69 0.00 0.00 174.62 174.80 3cak s LEU 53 N 0.70 4.12 0.00 4.42 1.43 -0.41 -4.85 118.68 124.10 3cak s LEU 53 Ca -0.11 0.50 0.27 0.00 -1.03 0.00 0.00 54.13 53.76 3cak s LEU 53 Cb -0.16 -2.96 0.82 0.00 0.03 0.00 0.00 46.19 43.91 3cak s LEU 53 CO 0.02 -0.58 1.61 0.35 0.23 0.00 0.00 176.35 177.97 3cak n THR 54 N 5.53 0.00 -3.38 5.49 -2.24 -1.25 0.02 114.28 118.44 3cak n THR 54 Ca 0.02 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 3cak n THR 54 Cb 0.48 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 69.28 3cak n THR 54 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3cak s HIS 55 N -2.13 -0.61 0.23 4.78 5.65 -1.26 -4.67 115.29 117.30 3cak s HIS 55 Ca 0.33 0.02 -0.10 0.00 0.25 0.00 0.00 55.06 55.55 3cak s HIS 55 Cb 0.20 -0.36 -0.01 0.00 -1.18 0.00 0.00 32.58 31.23 3cak s HIS 55 CO 0.38 -0.91 0.40 -1.21 -0.65 0.00 0.00 174.74 172.75 3cak s GLU 56 N 2.41 1.46 -0.02 2.88 0.41 -0.67 -1.31 118.70 123.86 3cak s GLU 56 Ca 0.09 -1.33 -0.01 0.00 -0.41 0.00 0.00 54.97 53.31 3cak s GLU 56 Cb -0.14 0.43 0.02 0.00 -1.78 0.00 0.00 34.13 32.66 3cak s GLU 56 CO -0.30 -0.58 0.06 -1.01 -0.49 0.00 0.00 175.26 172.93 3cak s HIS 57 N -4.05 -0.04 0.04 1.61 3.76 -0.01 -1.44 115.29 115.16 3cak s HIS 57 Ca 0.26 0.17 -0.21 0.00 -0.15 0.00 0.00 55.06 55.13 3cak s HIS 57 Cb 0.01 -0.07 -0.14 0.00 1.11 0.00 0.00 32.58 33.49 3cak s HIS 57 CO 0.09 -0.06 1.40 0.82 -0.85 0.00 0.00 174.74 176.14 3cak h ILE 58 N 5.56 1.31 -2.51 0.60 1.08 -1.95 -3.31 117.51 118.29 3cak h ILE 58 Ca -0.33 -1.10 -0.09 0.00 -0.39 0.00 0.00 64.86 62.95 3cak h ILE 58 Cb 1.17 1.74 -0.27 0.00 -3.07 0.00 0.00 36.82 36.40 3cak h ILE 58 CO 0.47 0.32 -0.32 0.00 -0.69 0.00 0.00 178.15 177.93 3cak s GLY 60 N 2.22 1.79 0.00 0.00 0.00 0.40 -4.69 107.32 107.03 3cak s GLY 60 Ca -0.05 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.36 3cak s GLY 60 CO -0.13 1.37 0.00 -1.26 0.00 0.00 0.00 173.10 173.08 3cak n SER 61 N 5.97 0.88 -3.97 1.64 2.88 0.54 -0.84 113.62 120.73 3cak n SER 61 Ca -0.04 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.41 3cak n SER 61 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 3cak n SER 61 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3cak s SER 62 N 1.19 0.25 0.10 -3.46 0.01 -1.22 -3.85 113.70 106.73 3cak s SER 62 Ca 0.00 -0.63 -0.36 0.00 1.31 0.00 0.00 55.95 56.27 3cak s SER 62 Cb 0.00 0.21 -0.16 0.00 0.21 0.00 0.00 66.02 66.28 3cak s SER 62 CO 0.00 -0.51 1.43 0.00 0.41 0.00 0.00 173.24 174.58 3cak n ALA 63 N 0.72 -0.21 -0.42 1.44 0.00 -1.23 -1.36 120.51 119.45 3cak n ALA 63 Ca -0.18 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3cak n ALA 63 Cb 0.59 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3cak n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cak n GLY 64 N 2.87 1.30 0.14 0.00 0.00 -1.26 -4.88 105.19 103.36 3cak n GLY 64 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 3cak n GLY 64 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3cak h PHE 65 N 0.00 0.51 -0.96 1.61 3.57 -1.57 -1.90 116.94 118.20 3cak h PHE 65 Ca 0.00 -0.24 0.08 0.00 3.53 0.00 0.00 57.97 61.35 3cak h PHE 65 Cb 0.00 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.60 3cak h PHE 65 CO 0.00 1.00 0.61 1.25 -2.23 0.00 0.00 178.31 178.94 3cak h LEU 66 N -0.13 0.95 -0.30 0.59 5.85 -1.88 -0.53 115.31 119.86 3cak h LEU 66 Ca -0.03 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3cak h LEU 66 Cb 1.06 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3cak h LEU 66 CO 0.08 0.57 -0.25 -0.09 -0.34 0.00 0.00 178.44 178.41 3cak h ARG 67 N 1.06 0.71 0.00 1.25 2.43 -1.93 -2.95 114.38 114.95 3cak h ARG 67 Ca 0.44 -0.36 -0.17 0.00 -0.81 0.00 0.00 59.98 59.08 3cak h ARG 67 Cb 0.26 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3cak h ARG 67 CO -0.20 0.97 -0.83 0.00 -1.51 0.00 0.00 179.97 178.40 3cak h ALA 68 N 0.73 0.61 -1.45 2.80 0.00 -0.94 -3.40 119.26 117.61 3cak h ALA 68 Ca 0.05 -0.75 -0.41 0.00 0.00 0.00 0.00 54.91 53.80 3cak h ALA 68 Cb 0.81 -0.13 -0.35 0.00 0.00 0.00 0.00 17.79 18.13 3cak h ALA 68 CO 0.07 1.04 -1.03 1.87 0.00 0.00 0.00 179.25 181.19 3cak n TRP 69 N -3.52 -0.37 0.23 0.00 -0.00 -0.24 -4.95 117.44 108.59 3cak n TRP 69 Ca -0.00 -3.33 0.06 0.00 -0.00 0.00 0.00 57.50 54.23 3cak n TRP 69 Cb 0.80 0.04 0.54 0.00 -0.00 0.00 0.00 31.31 32.69 3cak n TRP 69 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3cak h PRO 70 N 2.97 0.00 0.00 5.87 0.13 -1.71 -1.68 132.00 137.58 3cak h PRO 70 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3cak h PRO 70 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3cak h PRO 70 CO 0.41 0.13 0.00 -0.85 -0.23 0.00 0.00 178.00 177.46 3cak n GLU 71 N -4.37 0.31 -0.18 0.86 0.00 -1.26 -1.15 120.64 114.85 3cak n GLU 71 Ca -0.03 0.10 0.01 0.00 0.00 0.00 0.00 57.16 57.24 3cak n GLU 71 Cb 0.20 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.41 3cak n GLU 71 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3cak h PHE 72 N 0.00 0.88 -0.34 -1.84 3.57 -1.71 -2.51 116.94 114.98 3cak h PHE 72 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3cak h PHE 72 Cb 0.15 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3cak h PHE 72 CO 0.00 0.57 0.00 1.19 -2.23 0.00 0.00 178.31 177.84 3cak n PHE 73 N -4.41 0.96 0.00 0.41 3.72 -0.30 -4.94 117.46 112.90 3cak n PHE 73 Ca 0.07 -0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 3cak n PHE 73 Cb 0.05 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3cak n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cak n GLY 74 N 0.59 2.06 3.76 1.37 0.00 -0.95 -4.28 105.19 107.74 3cak n GLY 74 Ca 0.15 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 3cak n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cak s SER 75 N 0.00 -0.27 0.16 1.61 1.04 -1.22 -4.27 113.70 110.76 3cak s SER 75 Ca 0.00 -0.44 -0.14 0.00 0.48 0.00 0.00 55.95 55.85 3cak s SER 75 Cb 0.00 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.78 3cak s SER 75 CO 0.00 -1.12 1.76 -0.09 0.98 0.00 0.00 173.24 174.77 3cak h ARG 76 N 2.00 0.73 -0.51 4.02 2.43 -1.88 -1.84 114.38 119.33 3cak h ARG 76 Ca -0.22 -0.10 0.07 0.00 -0.81 0.00 0.00 59.98 58.92 3cak h ARG 76 Cb 1.25 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 3cak h ARG 76 CO 0.26 0.59 0.20 -0.22 -1.51 0.00 0.00 179.97 179.29 3cak h LYS 77 N 0.69 0.38 -0.32 0.20 3.64 -1.95 -0.36 116.57 118.83 3cak h LYS 77 Ca 0.18 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3cak h LYS 77 Cb 0.08 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3cak h LYS 77 CO -0.03 0.25 0.18 0.00 -2.27 0.00 0.00 179.45 177.58 3cak h ALA 78 N 1.33 0.42 0.03 5.00 0.00 -1.84 -0.83 119.26 123.36 3cak h ALA 78 Ca 0.24 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3cak h ALA 78 Cb 0.25 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3cak h ALA 78 CO -0.23 -0.05 -0.21 1.25 0.00 0.00 0.00 179.25 180.01 3cak h LEU 79 N 0.40 -0.60 -0.26 0.00 5.85 -1.02 -0.96 115.31 118.73 3cak h LEU 79 Ca 0.11 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.98 3cak h LEU 79 Cb 0.07 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 3cak h LEU 79 CO -0.02 -0.28 -0.19 0.00 -0.34 0.00 0.00 178.44 177.62 3cak h ALA 80 N 0.52 -0.02 -0.67 1.25 0.00 -0.97 -0.75 119.26 118.61 3cak h ALA 80 Ca 0.05 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3cak h ALA 80 Cb 0.41 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3cak h ALA 80 CO -0.17 -0.60 0.35 0.93 0.00 0.00 0.00 179.25 179.76 3cak h GLU 81 N -0.18 0.61 -0.69 0.00 5.08 -0.96 0.96 114.58 119.40 3cak h GLU 81 Ca 0.14 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3cak h GLU 81 Cb 0.39 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3cak h GLU 81 CO -0.36 0.40 0.36 -0.22 -1.00 0.00 0.00 179.01 178.19 3cak h LYS 82 N 0.63 0.97 -0.43 2.33 3.64 -0.77 -0.70 116.57 122.24 3cak h LYS 82 Ca 0.31 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 3cak h LYS 82 Cb 0.26 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3cak h LYS 82 CO -0.22 0.74 -0.24 0.00 -2.27 0.00 0.00 179.45 177.47 3cak h ALA 83 N 1.18 0.61 -0.15 5.00 0.00 -0.36 -1.51 119.26 124.02 3cak h ALA 83 Ca 0.24 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3cak h ALA 83 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3cak h ALA 83 CO -0.04 0.60 0.07 0.28 0.00 0.00 0.00 179.25 180.17 3cak h VAL 84 N 0.75 1.13 -0.45 0.00 2.07 -0.58 0.21 116.25 119.38 3cak h VAL 84 Ca 0.09 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.33 3cak h VAL 84 Cb 0.81 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 31.60 3cak h VAL 84 CO 0.07 0.12 -0.14 0.03 0.02 0.00 0.00 177.57 177.67 3cak h ARG 85 N 0.11 -0.03 -0.36 1.57 3.08 -1.09 0.14 114.38 117.80 3cak h ARG 85 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3cak h ARG 85 Cb 0.13 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3cak h ARG 85 CO -0.01 -0.02 0.20 0.78 -1.07 0.00 0.00 179.97 179.86 3cak h GLY 86 N -0.03 0.54 1.36 0.04 0.00 -0.80 -1.40 103.07 102.77 3cak h GLY 86 Ca 0.22 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 3cak h GLY 86 CO -0.48 0.23 -0.14 1.41 0.00 0.00 0.00 176.54 177.56 3cak h LEU 87 N 0.46 0.75 -0.69 3.11 3.38 -0.30 -1.37 115.31 120.64 3cak h LEU 87 Ca 0.13 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3cak h LEU 87 Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3cak h LEU 87 CO -0.02 0.90 -0.07 0.03 0.09 0.00 0.00 178.44 179.38 3cak h ARG 88 N 0.68 0.95 -0.23 1.13 3.08 -0.74 0.22 114.38 119.46 3cak h ARG 88 Ca 0.11 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.85 3cak h ARG 88 Cb 0.62 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3cak h ARG 88 CO 0.04 0.97 0.14 -0.09 -1.07 0.00 0.00 179.97 179.97 3cak h ARG 89 N 0.86 0.29 -0.28 0.04 2.43 -0.93 0.17 114.38 116.96 3cak h ARG 89 Ca 0.15 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3cak h ARG 89 Cb 0.59 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3cak h ARG 89 CO 0.04 0.19 0.15 0.00 -1.51 0.00 0.00 179.97 178.84 3cak h ALA 90 N 1.09 0.34 -0.56 2.80 0.00 -0.94 -2.46 119.26 119.53 3cak h ALA 90 Ca 0.09 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3cak h ALA 90 Cb -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3cak h ALA 90 CO -0.03 -0.23 0.27 -0.09 0.00 0.00 0.00 179.25 179.17 3cak h ARG 91 N 0.32 0.50 0.00 0.00 2.43 -0.18 -1.31 114.38 116.13 3cak h ARG 91 Ca 0.11 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3cak h ARG 91 Cb 0.01 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3cak h ARG 91 CO -0.06 0.33 -0.10 0.00 -1.51 0.00 0.00 179.97 178.63 3cak h ALA 92 N 1.32 1.74 -0.12 2.80 0.00 -0.81 -1.08 119.26 123.12 3cak h ALA 92 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3cak h ALA 92 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3cak h ALA 92 CO -0.20 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.18 3cak n ALA 93 N -2.48 2.54 0.00 0.00 0.00 -0.69 -4.92 120.51 114.96 3cak n ALA 93 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3cak n ALA 93 Cb 0.18 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3cak n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cak n GLY 94 N 1.07 1.47 3.74 0.00 0.00 -0.41 -4.78 105.19 106.28 3cak n GLY 94 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3cak n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cak s VAL 95 N -2.03 3.43 -0.02 1.61 1.01 -0.58 -4.45 120.40 119.37 3cak s VAL 95 Ca 0.00 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.23 3cak s VAL 95 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3cak s VAL 95 CO 0.00 0.21 0.02 0.54 0.00 0.00 0.00 175.10 175.87 3cak n ARG 96 N 2.33 2.86 -3.87 2.72 5.12 -0.38 -3.97 116.66 121.48 3cak n ARG 96 Ca 0.04 -0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.83 3cak n ARG 96 Cb 0.44 -1.07 -0.14 0.00 -1.16 0.00 0.00 32.46 30.54 3cak n ARG 96 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3cak s THR 97 N -2.09 0.00 0.15 0.55 2.01 -0.97 -0.91 115.64 114.38 3cak s THR 97 Ca -0.01 -0.04 0.11 0.00 0.31 0.00 0.00 61.69 62.06 3cak s THR 97 Cb 0.01 -0.05 -0.04 0.00 0.01 0.00 0.00 72.50 72.42 3cak s THR 97 CO 0.11 -0.02 -0.25 0.27 -0.69 0.00 0.00 174.62 174.04 3cak s ILE 98 N -0.05 2.25 -0.33 1.82 -4.36 0.14 -1.29 121.20 119.37 3cak s ILE 98 Ca -0.01 -1.84 -0.10 0.00 -0.26 0.00 0.00 60.65 58.44 3cak s ILE 98 Cb -0.01 -2.01 0.00 0.00 1.25 0.00 0.00 42.46 41.69 3cak s ILE 98 CO 0.00 0.00 0.17 -0.69 0.24 0.00 0.00 174.94 174.66 3cak s VAL 99 N -1.30 4.61 -0.49 8.37 1.01 0.10 -1.06 120.40 131.64 3cak s VAL 99 Ca 0.16 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 3cak s VAL 99 Cb -0.09 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.92 3cak s VAL 99 CO 0.07 -0.01 0.81 -0.62 0.00 0.00 0.00 175.10 175.35 3cak s ASP 100 N 1.60 6.36 -0.14 3.32 -1.08 0.09 -1.67 116.67 125.16 3cak s ASP 100 Ca 0.04 -0.32 0.06 0.00 -0.52 0.00 0.00 52.55 51.81 3cak s ASP 100 Cb -0.18 -2.39 0.40 0.00 -1.46 0.00 0.00 42.92 39.30 3cak s ASP 100 CO 0.06 -1.01 1.18 1.33 0.52 0.00 0.00 175.17 177.25 3cak n VAL 101 N 6.07 1.49 -2.20 1.11 0.24 -0.52 -2.99 118.33 121.53 3cak n VAL 101 Ca 0.01 -0.74 -0.42 0.00 -2.04 0.00 0.00 64.34 61.14 3cak n VAL 101 Cb 0.47 -0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 32.38 3cak n VAL 101 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3cak s SER 102 N -0.35 6.82 0.70 -1.34 0.01 -1.26 -4.92 113.70 113.36 3cak s SER 102 Ca 0.27 2.08 -0.03 0.00 1.31 0.00 0.00 55.95 59.59 3cak s SER 102 Cb 0.21 -2.55 0.10 0.00 0.21 0.00 0.00 66.02 63.99 3cak s SER 102 CO 0.08 -0.77 0.97 0.42 0.41 0.00 0.00 173.24 174.34 3cak s THR 103 N 2.93 2.28 0.24 1.44 -4.23 -1.26 -4.22 115.64 112.83 3cak s THR 103 Ca 0.65 -0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 60.52 3cak s THR 103 Cb -0.30 -2.79 0.31 0.00 1.34 0.00 0.00 72.50 71.05 3cak s THR 103 CO 0.25 0.00 1.56 0.15 -0.54 0.00 0.00 174.62 176.04 3cak h PHE 104 N -0.49 -0.86 -0.00 3.99 3.57 -1.85 -1.23 116.94 120.07 3cak h PHE 104 Ca -0.40 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.20 3cak h PHE 104 Cb 1.28 0.52 0.00 0.00 2.79 0.00 0.00 35.95 40.54 3cak h PHE 104 CO -0.03 -0.41 -0.03 -0.40 -2.23 0.00 0.00 178.31 175.21 3cak n ASP 105 N -5.52 0.04 -0.35 0.41 5.75 -1.26 -0.82 116.55 114.81 3cak n ASP 105 Ca 0.12 0.27 0.08 0.00 -0.01 0.00 0.00 54.79 55.24 3cak n ASP 105 Cb 0.43 -0.39 0.33 0.00 -1.03 0.00 0.00 41.12 40.45 3cak n ASP 105 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3cak n ILE 106 N -1.43 0.18 -1.65 2.12 5.41 -0.50 -4.04 119.36 119.44 3cak n ILE 106 Ca 0.09 -0.23 -0.09 0.00 1.00 0.00 0.00 62.75 63.52 3cak n ILE 106 Cb 0.31 0.11 -0.03 0.00 -0.71 0.00 0.00 39.64 39.33 3cak n ILE 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cak n GLY 107 N 0.94 0.64 3.56 7.39 0.00 0.00 -0.34 105.19 117.38 3cak n GLY 107 Ca 0.12 -0.56 -0.58 0.00 0.00 0.00 0.00 46.02 45.01 3cak n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3cak n ARG 108 N -2.38 0.39 -3.89 1.61 0.63 -0.98 -4.68 116.66 107.35 3cak n ARG 108 Ca -0.10 0.14 -0.30 0.00 -0.92 0.00 0.00 57.85 56.67 3cak n ARG 108 Cb 0.42 -1.69 -0.14 0.00 0.45 0.00 0.00 32.46 31.50 3cak n ARG 108 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3cak s ASP 109 N 0.65 4.31 0.53 6.15 -1.08 -1.26 -4.87 116.67 121.10 3cak s ASP 109 Ca 0.91 -2.40 0.30 0.00 -0.52 0.00 0.00 52.55 50.84 3cak s ASP 109 Cb -1.19 -1.39 1.48 0.00 -1.46 0.00 0.00 42.92 40.36 3cak s ASP 109 CO 0.57 -0.32 2.06 -0.37 0.52 0.00 0.00 175.17 177.63 3cak h VAL 110 N 6.02 0.41 -0.49 1.11 -1.51 -1.97 -0.66 116.25 119.16 3cak h VAL 110 Ca -0.06 -0.54 -0.08 0.00 -1.23 0.00 0.00 66.70 64.78 3cak h VAL 110 Cb 0.97 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 3cak h VAL 110 CO 0.55 0.10 -0.03 0.28 -1.23 0.00 0.00 177.57 177.24 3cak h SER 111 N 0.00 0.82 -0.29 4.19 0.02 -1.98 0.13 113.55 116.44 3cak h SER 111 Ca -0.00 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.68 3cak h SER 111 Cb 0.38 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3cak h SER 111 CO 0.01 0.91 -0.00 0.25 -1.14 0.00 0.00 176.83 176.86 3cak h LEU 112 N 0.78 0.51 -0.62 5.07 5.85 -1.59 -0.49 115.31 124.82 3cak h LEU 112 Ca 0.14 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.62 3cak h LEU 112 Cb 0.51 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 3cak h LEU 112 CO 0.03 0.69 0.30 -0.07 -0.34 0.00 0.00 178.44 179.05 3cak h LEU 113 N 0.31 0.41 -0.56 2.25 4.07 -1.02 -0.84 115.31 119.93 3cak h LEU 113 Ca 0.08 0.05 -0.07 0.00 0.08 0.00 0.00 57.88 58.02 3cak h LEU 113 Cb 0.43 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 3cak h LEU 113 CO 0.02 0.26 0.09 0.00 -1.08 0.00 0.00 178.44 177.73 3cak h ALA 114 N 1.36 0.74 -0.17 1.53 0.00 -0.52 -0.51 119.26 121.69 3cak h ALA 114 Ca 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3cak h ALA 114 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3cak h ALA 114 CO -0.22 0.49 0.09 1.49 0.00 0.00 0.00 179.25 181.10 3cak h GLU 115 N 0.82 0.23 0.00 0.00 4.81 -0.26 -1.79 114.58 118.39 3cak h GLU 115 Ca 0.17 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.18 3cak h GLU 115 Cb 0.42 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3cak h GLU 115 CO 0.01 0.25 -0.89 -0.39 -0.73 0.00 0.00 179.01 177.26 3cak h VAL 116 N 0.16 1.64 -0.19 0.32 -1.51 -1.10 -1.82 116.25 113.75 3cak h VAL 116 Ca 0.06 -3.05 0.03 0.00 -1.23 0.00 0.00 66.70 62.51 3cak h VAL 116 Cb 0.08 2.65 -0.03 0.00 -2.13 0.00 0.00 31.29 31.86 3cak h VAL 116 CO -0.01 0.87 -0.03 -1.28 -1.23 0.00 0.00 177.57 175.89 3cak h SER 117 N 0.00 -0.13 -0.20 4.19 0.87 -0.97 0.38 113.55 117.68 3cak h SER 117 Ca -0.01 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3cak h SER 117 Cb 1.58 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.63 3cak h SER 117 CO 0.12 -0.04 0.13 0.03 -0.53 0.00 0.00 176.83 176.53 3cak h ARG 118 N 0.02 0.26 -0.44 2.24 3.08 -1.24 0.09 114.38 118.39 3cak h ARG 118 Ca 0.09 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 3cak h ARG 118 Cb 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3cak h ARG 118 CO -0.17 0.18 -0.14 0.00 -1.07 0.00 0.00 179.97 178.76 3cak h ALA 119 N 1.07 0.91 -0.01 0.04 0.00 -1.13 -2.95 119.26 117.20 3cak h ALA 119 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3cak h ALA 119 Cb -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3cak h ALA 119 CO -0.02 0.62 -0.37 0.00 0.00 0.00 0.00 179.25 179.49 3cak n ALA 120 N -2.49 3.32 -3.97 0.00 0.00 0.11 -4.97 120.51 112.50 3cak n ALA 120 Ca 0.01 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.66 3cak n ALA 120 Cb 0.39 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 3cak n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3cak n ASP 121 N -0.49 -1.43 -4.13 0.00 2.03 -0.01 -4.71 116.55 107.81 3cak n ASP 121 Ca 0.11 -1.08 -0.27 0.00 0.52 0.00 0.00 54.79 54.07 3cak n ASP 121 Cb 0.39 -2.76 -0.16 0.00 -0.72 0.00 0.00 41.12 37.86 3cak n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3cak s VAL 122 N -3.89 1.48 0.29 5.18 1.01 -1.02 -5.01 120.40 118.44 3cak s VAL 122 Ca 0.14 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 3cak s VAL 122 Cb -0.06 -1.29 -0.10 0.00 0.00 0.00 0.00 36.38 34.93 3cak s VAL 122 CO 0.91 0.43 1.32 -1.00 0.00 0.00 0.00 175.10 176.76 3cak s HIS 123 N 0.22 3.11 -0.13 5.22 3.76 -0.09 -4.55 115.29 122.84 3cak s HIS 123 Ca -0.09 1.32 0.01 0.00 -0.15 0.00 0.00 55.06 56.15 3cak s HIS 123 Cb -0.14 -3.67 0.02 0.00 1.11 0.00 0.00 32.58 29.91 3cak s HIS 123 CO 0.04 -1.93 -0.14 0.42 -0.85 0.00 0.00 174.74 172.27 3cak s ILE 124 N -0.69 1.48 -0.24 0.60 1.01 -1.26 -0.69 121.20 121.41 3cak s ILE 124 Ca 0.52 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 60.40 3cak s ILE 124 Cb -0.39 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 3cak s ILE 124 CO 0.48 0.44 0.46 -0.69 0.00 0.00 0.00 174.94 175.63 3cak s VAL 125 N 1.32 5.12 0.57 2.92 1.01 -0.23 -0.32 120.40 130.79 3cak s VAL 125 Ca 0.00 0.80 -0.07 0.00 0.00 0.00 0.00 61.98 62.71 3cak s VAL 125 Cb -0.14 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 3cak s VAL 125 CO -0.07 0.15 0.90 0.00 0.00 0.00 0.00 175.10 176.08 3cak s ALA 126 N 1.93 3.26 0.08 5.51 0.00 -1.26 -0.73 121.76 130.55 3cak s ALA 126 Ca 0.20 -0.50 0.09 0.00 0.00 0.00 0.00 51.96 51.76 3cak s ALA 126 Cb -0.15 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 3cak s ALA 126 CO 0.09 -0.66 -0.23 0.00 0.00 0.00 0.00 175.76 174.96 3cak s ALA 127 N -2.97 2.45 0.00 0.00 0.00 -1.16 -0.65 121.76 119.42 3cak s ALA 127 Ca 0.52 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3cak s ALA 127 Cb -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.48 3cak s ALA 127 CO 0.47 0.56 0.00 -2.37 0.00 0.00 0.00 175.76 174.42 3cak n THR 128 N 1.27 0.00 -0.02 0.00 5.66 -0.18 -4.67 114.28 116.34 3cak n THR 128 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 3cak n THR 128 Cb 0.52 -0.73 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 3cak n THR 128 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3cak n GLY 129 N 5.00 -1.68 2.91 1.09 0.00 -1.26 -4.44 105.19 106.81 3cak n GLY 129 Ca 0.00 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 3cak n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cak s LEU 130 N 0.00 2.09 0.00 0.99 1.43 -1.26 -4.22 118.68 117.71 3cak s LEU 130 Ca 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3cak s LEU 130 Cb 0.00 0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.25 3cak s LEU 130 CO 0.00 -0.11 0.00 1.87 0.23 0.00 0.00 176.35 178.34 3cak n TRP 131 N 2.54 0.00 1.76 0.29 -0.00 -1.26 -3.66 117.44 117.12 3cak n TRP 131 Ca -0.16 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 57.47 3cak n TRP 131 Cb 0.58 0.00 0.69 0.00 -0.00 0.00 0.00 31.31 32.58 3cak n TRP 131 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 3cak n PHE 132 N 0.00 0.03 -2.44 5.87 3.01 -1.26 -4.31 117.46 118.35 3cak n PHE 132 Ca 0.00 -0.01 -0.19 0.00 1.01 0.00 0.00 57.45 58.25 3cak n PHE 132 Cb 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.49 3cak n PHE 132 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3cak n ASP 133 N -0.46 3.72 -4.73 4.37 2.03 -1.26 -5.07 116.55 115.15 3cak n ASP 133 Ca 0.20 -3.32 -0.42 0.00 0.52 0.00 0.00 54.79 51.77 3cak n ASP 133 Cb 0.20 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 3cak n ASP 133 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3cak s PRO 134 N -3.50 4.22 0.99 -0.67 0.04 -1.26 -4.85 135.00 129.98 3cak s PRO 134 Ca 0.42 2.37 -0.15 0.00 0.04 0.00 0.00 61.00 63.68 3cak s PRO 134 Cb 0.40 -3.12 0.19 0.00 0.04 0.00 0.00 34.50 32.02 3cak s PRO 134 CO -0.07 -0.53 1.18 -1.25 0.04 0.00 0.00 177.00 176.37 3cak s PRO 135 N 0.28 0.46 0.34 0.56 0.04 -1.26 -4.67 135.00 130.75 3cak s PRO 135 Ca 0.65 0.02 0.06 0.00 0.04 0.00 0.00 61.00 61.76 3cak s PRO 135 Cb -0.44 -1.79 0.72 0.00 0.04 0.00 0.00 34.50 33.04 3cak s PRO 135 CO 0.39 -2.60 1.90 -0.07 0.04 0.00 0.00 177.00 176.66 3cak h LEU 136 N -1.78 0.72 -2.21 -3.56 3.38 -1.96 0.73 115.31 110.64 3cak h LEU 136 Ca -0.47 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 3cak h LEU 136 Cb 1.30 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 3cak h LEU 136 CO 0.49 0.42 -0.06 0.28 0.09 0.00 0.00 178.44 179.66 3cak h SER 137 N 0.80 0.00 0.04 -0.43 0.02 -2.00 -1.50 113.55 110.48 3cak h SER 137 Ca 0.40 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.07 3cak h SER 137 Cb 0.46 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3cak h SER 137 CO -0.17 0.06 -1.51 0.23 -1.14 0.00 0.00 176.83 174.30 3cak n MET 138 N -3.56 0.62 0.18 3.45 2.81 -0.21 -4.49 117.12 115.92 3cak n MET 138 Ca -0.02 0.48 0.13 0.00 -1.81 0.00 0.00 57.70 56.48 3cak n MET 138 Cb 0.17 -1.73 0.61 0.00 -0.71 0.00 0.00 33.22 31.56 3cak n MET 138 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 3cak h ARG 139 N -0.70 0.00 -0.00 0.03 0.11 -0.59 -1.06 114.38 112.17 3cak h ARG 139 Ca -0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.70 3cak h ARG 139 Cb 1.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.60 3cak h ARG 139 CO -0.13 0.00 -0.14 1.28 0.10 0.00 0.00 179.97 181.07 3cak n LEU 140 N -2.42 0.52 -4.84 0.08 7.99 -0.59 -4.94 117.00 112.79 3cak n LEU 140 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.68 3cak n LEU 140 Cb 0.16 -0.20 -0.07 0.00 -0.11 0.00 0.00 43.42 43.21 3cak n LEU 140 CO 0.17 0.10 0.52 -0.13 -1.51 0.00 0.00 177.39 176.54 3cak s ARG 141 N -2.53 4.10 0.85 3.23 1.81 -0.40 -5.08 118.95 120.92 3cak s ARG 141 Ca 0.27 0.87 -0.13 0.00 -1.72 0.00 0.00 55.73 55.01 3cak s ARG 141 Cb 0.20 -2.33 0.11 0.00 -0.45 0.00 0.00 34.95 32.48 3cak s ARG 141 CO 0.49 0.08 1.21 -1.54 -0.68 0.00 0.00 175.30 174.87 3cak s SER 142 N -2.23 4.14 0.23 0.23 1.04 -1.26 -4.86 113.70 110.99 3cak s SER 142 Ca 0.57 0.63 -0.06 0.00 0.48 0.00 0.00 55.95 57.58 3cak s SER 142 Cb -0.10 -1.00 0.23 0.00 0.10 0.00 0.00 66.02 65.25 3cak s SER 142 CO 0.16 -2.12 1.77 1.62 0.98 0.00 0.00 173.24 175.64 3cak h VAL 143 N -1.20 1.25 -0.59 5.02 3.04 -1.98 -1.46 116.25 120.33 3cak h VAL 143 Ca -0.45 -0.89 -0.03 0.00 -1.01 0.00 0.00 66.70 64.31 3cak h VAL 143 Cb 1.30 0.54 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 3cak h VAL 143 CO 0.58 0.34 0.24 -0.33 -1.01 0.00 0.00 177.57 177.40 3cak h GLU 144 N 1.00 0.88 -0.37 4.17 5.08 -1.95 -0.48 114.58 122.91 3cak h GLU 144 Ca 0.22 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3cak h GLU 144 Cb 0.32 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3cak h GLU 144 CO -0.00 0.75 0.18 0.93 -1.00 0.00 0.00 179.01 179.87 3cak h GLU 145 N 0.82 0.53 -0.77 2.33 5.08 -1.88 -1.84 114.58 118.85 3cak h GLU 145 Ca 0.20 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3cak h GLU 145 Cb 0.20 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3cak h GLU 145 CO -0.02 0.48 0.29 -0.07 -1.00 0.00 0.00 179.01 178.69 3cak h LEU 146 N 0.46 1.08 -0.55 1.33 3.38 -1.14 -1.36 115.31 118.51 3cak h LEU 146 Ca 0.13 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3cak h LEU 146 Cb 0.12 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3cak h LEU 146 CO -0.02 0.97 0.26 0.74 0.09 0.00 0.00 178.44 180.48 3cak h THR 147 N 1.12 0.90 -0.97 0.22 2.02 -0.91 -0.69 112.91 114.61 3cak h THR 147 Ca 0.25 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 3cak h THR 147 Cb 0.25 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 3cak h THR 147 CO -0.02 0.09 0.60 1.56 0.37 0.00 0.00 175.52 178.12 3cak h GLN 148 N 0.49 1.30 -0.12 6.66 4.20 -0.67 0.02 115.11 126.99 3cak h GLN 148 Ca 0.26 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3cak h GLN 148 Cb 0.21 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 3cak h GLN 148 CO -0.21 0.89 -0.02 0.35 -0.67 0.00 0.00 178.83 179.18 3cak h PHE 149 N 1.32 0.24 -0.72 2.96 3.57 -0.66 -0.10 116.94 123.54 3cak h PHE 149 Ca 0.35 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.81 3cak h PHE 149 Cb -0.09 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 3cak h PHE 149 CO 0.00 0.50 0.47 0.74 -2.23 0.00 0.00 178.31 177.79 3cak h PHE 150 N -0.09 0.89 -0.81 0.41 0.04 -0.99 -2.07 116.94 114.33 3cak h PHE 150 Ca 0.03 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 3cak h PHE 150 Cb 0.41 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 3cak h PHE 150 CO 0.05 0.55 0.40 -0.07 -0.60 0.00 0.00 178.31 178.64 3cak h LEU 151 N 0.95 1.03 -0.05 1.54 3.38 -0.91 -1.81 115.31 119.45 3cak h LEU 151 Ca 0.27 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3cak h LEU 151 Cb -0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3cak h LEU 151 CO -0.07 0.86 -0.08 -0.09 0.09 0.00 0.00 178.44 179.14 3cak h ARG 152 N 1.14 -0.12 0.00 1.13 2.43 -0.37 0.35 114.38 118.94 3cak h ARG 152 Ca 0.28 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 3cak h ARG 152 Cb 0.09 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3cak h ARG 152 CO -0.04 -0.08 -0.23 0.93 -1.51 0.00 0.00 179.97 179.05 3cak h GLU 153 N -0.12 0.00 0.00 0.20 5.08 -1.10 0.11 114.58 118.74 3cak h GLU 153 Ca 0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3cak h GLU 153 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3cak h GLU 153 CO -0.12 0.23 -0.20 0.82 -1.00 0.00 0.00 179.01 178.73 3cak h ILE 154 N 0.00 1.62 0.03 3.13 2.04 -0.97 -0.64 117.51 122.71 3cak h ILE 154 Ca -0.00 -2.29 -0.31 0.00 1.00 0.00 0.00 64.86 63.26 3cak h ILE 154 Cb 0.46 3.13 -0.04 0.00 -0.74 0.00 0.00 36.82 39.62 3cak h ILE 154 CO 0.03 0.55 -1.81 0.00 0.00 0.00 0.00 178.15 176.92 3cak n GLN 155 N -4.58 0.66 -0.09 2.37 6.02 0.12 -4.44 117.38 117.44 3cak n GLN 155 Ca -0.13 0.28 -0.10 0.00 -0.01 0.00 0.00 57.00 57.03 3cak n GLN 155 Cb 0.50 -1.76 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 3cak n GLN 155 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3cak n TYR 156 N -3.12 0.00 0.00 1.08 9.36 0.15 -5.06 117.16 119.57 3cak n TYR 156 Ca -0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.01 3cak n TYR 156 Cb 1.06 -0.51 0.00 0.00 -0.63 0.00 0.00 39.34 39.26 3cak n TYR 156 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3cak n GLY 157 N 1.55 2.76 3.71 2.98 0.00 0.04 -4.75 105.19 111.47 3cak n GLY 157 Ca -0.16 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 3cak n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cak s ILE 158 N -2.00 5.23 0.00 -0.61 1.01 0.15 -4.02 121.20 120.97 3cak s ILE 158 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.39 3cak s ILE 158 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.74 3cak s ILE 158 CO 0.00 0.33 0.00 -0.62 0.00 0.00 0.00 174.94 174.65 3cak n GLU 159 N 3.87 0.00 -1.02 2.79 1.02 -1.26 -1.62 120.64 124.42 3cak n GLU 159 Ca -0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.93 3cak n GLU 159 Cb 0.52 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 32.11 3cak n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3cak n ASP 160 N 1.86 3.22 0.00 1.62 5.75 -1.26 -4.65 116.55 123.09 3cak n ASP 160 Ca 0.00 -3.76 0.11 0.00 -0.01 0.00 0.00 54.79 51.13 3cak n ASP 160 Cb 0.00 -0.68 -0.13 0.00 -1.03 0.00 0.00 41.12 39.28 3cak n ASP 160 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3cak n THR 161 N -1.09 0.07 -0.55 2.12 -2.24 -0.64 -4.96 114.28 106.99 3cak n THR 161 Ca 0.41 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3cak n THR 161 Cb 1.13 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3cak n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cak n GLY 162 N 1.31 1.33 3.68 3.38 0.00 -1.26 -4.96 105.19 108.67 3cak n GLY 162 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3cak n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cak s ILE 163 N -2.99 4.09 -0.13 -0.61 1.01 -1.26 -4.71 121.20 116.60 3cak s ILE 163 Ca 0.00 1.41 -0.06 0.00 0.00 0.00 0.00 60.65 62.01 3cak s ILE 163 Cb 0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 3cak s ILE 163 CO 0.00 -0.03 0.07 -0.13 0.00 0.00 0.00 174.94 174.85 3cak s ARG 164 N 2.57 3.47 0.48 2.79 0.52 -1.26 0.32 118.95 127.83 3cak s ARG 164 Ca 0.58 -0.28 -0.23 0.00 -0.52 0.00 0.00 55.73 55.28 3cak s ARG 164 Cb -0.26 -3.08 -0.07 0.00 0.52 0.00 0.00 34.95 32.06 3cak s ARG 164 CO 0.22 0.60 1.30 0.00 0.02 0.00 0.00 175.30 177.44 3cak s ALA 165 N -0.55 3.01 -0.81 2.13 0.00 -0.25 -4.55 121.76 120.74 3cak s ALA 165 Ca 0.11 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.37 3cak s ALA 165 Cb -0.12 -3.50 0.19 0.00 0.00 0.00 0.00 23.12 19.70 3cak s ALA 165 CO 0.02 -1.02 1.09 0.41 0.00 0.00 0.00 175.76 176.25 3cak n GLY 166 N 0.62 1.92 3.43 0.00 0.00 0.18 -4.68 105.19 106.65 3cak n GLY 166 Ca 0.07 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 3cak n GLY 166 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3cak s ILE 167 N -0.93 0.00 0.41 -0.61 2.07 -1.17 -4.42 121.20 116.55 3cak s ILE 167 Ca 0.16 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.38 3cak s ILE 167 Cb 0.09 -1.01 0.01 0.00 0.13 0.00 0.00 42.46 41.68 3cak s ILE 167 CO 0.12 -0.01 0.07 -0.38 -1.91 0.00 0.00 174.94 172.82 3cak n ILE 168 N -0.23 0.00 0.00 2.00 5.41 -0.29 -1.01 119.36 125.24 3cak n ILE 168 Ca -0.17 -1.84 0.00 0.00 1.00 0.00 0.00 62.75 61.74 3cak n ILE 168 Cb 0.64 0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.84 3cak n ILE 168 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3cak n VAL 170 N -1.10 0.00 -3.62 1.39 0.24 -0.50 0.06 118.33 114.80 3cak n VAL 170 Ca -0.13 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.02 3cak n VAL 170 Cb 0.50 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.80 3cak n VAL 170 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cak s ALA 171 N -2.00 -1.78 0.10 2.33 0.00 -1.24 -1.26 121.76 117.91 3cak s ALA 171 Ca 0.00 1.96 0.03 0.00 0.00 0.00 0.00 51.96 53.95 3cak s ALA 171 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 3cak s ALA 171 CO 0.00 -0.34 -0.09 0.95 0.00 0.00 0.00 175.76 176.28 3cak s THR 172 N 0.23 0.85 -0.49 0.00 -4.23 -1.06 -4.91 115.64 106.03 3cak s THR 172 Ca -0.01 -1.77 0.03 0.00 -1.18 0.00 0.00 61.69 58.76 3cak s THR 172 Cb -0.05 -1.50 0.16 0.00 1.34 0.00 0.00 72.50 72.45 3cak s THR 172 CO 0.02 -0.69 0.34 0.42 -0.54 0.00 0.00 174.62 174.17 3cak s THR 173 N -2.94 1.30 0.00 3.99 -4.23 -1.26 -3.69 115.64 108.81 3cak s THR 173 Ca 0.08 -2.99 0.00 0.00 -1.18 0.00 0.00 61.69 57.60 3cak s THR 173 Cb 0.00 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.96 3cak s THR 173 CO -0.02 -1.06 0.00 0.61 -0.54 0.00 0.00 174.62 173.61 3cak n GLY 174 N 2.89 -1.74 3.64 3.99 0.00 -1.26 -4.93 105.19 107.77 3cak n GLY 174 Ca 0.20 -1.70 -0.47 0.00 0.00 0.00 0.00 46.02 44.04 3cak n GLY 174 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cak n LYS 175 N 0.00 1.71 -1.67 1.61 4.81 -1.26 -4.88 118.16 118.49 3cak n LYS 175 Ca 0.00 0.61 -0.45 0.00 -0.87 0.00 0.00 58.31 57.61 3cak n LYS 175 Cb 0.00 -2.25 -0.02 0.00 0.02 0.00 0.00 35.03 32.77 3cak n LYS 175 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cak n ALA 176 N 2.24 0.99 -1.34 3.14 0.00 -1.26 -5.00 120.51 119.27 3cak n ALA 176 Ca 0.15 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.69 3cak n ALA 176 Cb 0.27 -2.25 0.11 0.00 0.00 0.00 0.00 19.45 17.58 3cak n ALA 176 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3cak s THR 177 N -0.29 3.06 0.28 0.00 -4.23 -1.26 -4.79 115.64 108.40 3cak s THR 177 Ca 0.66 0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 61.50 3cak s THR 177 Cb -0.65 -2.92 0.28 0.00 1.34 0.00 0.00 72.50 70.55 3cak s THR 177 CO 0.52 -0.45 1.87 -0.65 -0.54 0.00 0.00 174.62 175.37 3cak h PRO 178 N -1.25 1.07 -0.44 3.99 0.11 -2.00 0.30 132.00 133.78 3cak h PRO 178 Ca -0.47 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 3cak h PRO 178 Cb 1.26 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3cak h PRO 178 CO 0.55 0.71 0.11 0.35 -0.21 0.00 0.00 178.00 179.51 3cak h PHE 179 N 1.10 0.74 -0.72 0.65 3.57 -1.95 -2.62 116.94 117.72 3cak h PHE 179 Ca 0.46 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.91 3cak h PHE 179 Cb 0.30 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 3cak h PHE 179 CO -0.00 0.68 0.47 1.96 -2.23 0.00 0.00 178.31 179.19 3cak h GLN 180 N 0.58 0.82 -0.44 1.11 4.20 -1.67 -1.04 115.11 118.68 3cak h GLN 180 Ca 0.14 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.83 3cak h GLN 180 Cb 0.31 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3cak h GLN 180 CO 0.00 0.55 0.22 0.93 -0.67 0.00 0.00 178.83 179.86 3cak h GLU 181 N 0.85 0.44 -0.37 1.46 5.08 -0.64 -0.61 114.58 120.79 3cak h GLU 181 Ca 0.29 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3cak h GLU 181 Cb 0.09 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3cak h GLU 181 CO -0.08 0.29 0.10 -0.07 -1.00 0.00 0.00 179.01 178.25 3cak h LEU 182 N 0.45 0.08 -0.27 1.33 3.38 -0.89 -1.49 115.31 117.90 3cak h LEU 182 Ca 0.19 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3cak h LEU 182 Cb 0.09 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3cak h LEU 182 CO -0.13 0.08 0.17 0.58 0.09 0.00 0.00 178.44 179.24 3cak h VAL 183 N 0.24 1.08 -0.57 1.22 2.07 -0.75 0.10 116.25 119.64 3cak h VAL 183 Ca 0.17 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3cak h VAL 183 Cb 0.17 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3cak h VAL 183 CO -0.20 0.08 0.36 -0.07 0.02 0.00 0.00 177.57 177.76 3cak h LEU 184 N 0.36 0.67 -0.25 2.57 3.38 -0.95 0.13 115.31 121.23 3cak h LEU 184 Ca 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3cak h LEU 184 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3cak h LEU 184 CO -0.02 0.51 0.13 0.11 0.09 0.00 0.00 178.44 179.27 3cak h LYS 185 N 0.77 0.34 -0.73 1.13 1.57 -0.95 -1.01 116.57 117.70 3cak h LYS 185 Ca 0.21 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3cak h LYS 185 Cb -0.05 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.14 3cak h LYS 185 CO -0.04 0.31 0.46 0.00 -0.57 0.00 0.00 179.45 179.61 3cak h ALA 186 N 1.01 0.97 -0.43 3.86 0.00 -0.58 -0.54 119.26 123.55 3cak h ALA 186 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3cak h ALA 186 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3cak h ALA 186 CO -0.01 0.23 0.23 0.00 0.00 0.00 0.00 179.25 179.69 3cak h ALA 187 N 1.32 0.54 -0.33 0.00 0.00 -0.53 0.19 119.26 120.45 3cak h ALA 187 Ca 0.30 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.27 3cak h ALA 187 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3cak h ALA 187 CO -0.12 -0.12 0.07 0.00 0.00 0.00 0.00 179.25 179.08 3cak h ALA 188 N 1.21 0.35 -0.25 0.00 0.00 -0.77 0.17 119.26 119.98 3cak h ALA 188 Ca 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3cak h ALA 188 Cb 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3cak h ALA 188 CO -0.11 -0.34 0.10 0.00 0.00 0.00 0.00 179.25 178.90 3cak h ARG 189 N 0.19 0.37 -0.86 0.00 3.08 -0.88 0.46 114.38 116.74 3cak h ARG 189 Ca 0.16 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.16 3cak h ARG 189 Cb 0.17 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 3cak h ARG 189 CO -0.20 0.41 0.56 0.00 -1.07 0.00 0.00 179.97 179.67 3cak h ALA 190 N 0.94 1.10 -0.42 0.04 0.00 -0.73 -1.33 119.26 118.86 3cak h ALA 190 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3cak h ALA 190 Cb 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3cak h ALA 190 CO -0.01 0.45 0.20 1.03 0.00 0.00 0.00 179.25 180.93 3cak h SER 191 N 1.13 0.55 0.22 0.00 0.87 -0.79 -2.59 113.55 112.95 3cak h SER 191 Ca 0.32 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3cak h SER 191 Cb -0.08 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 3cak h SER 191 CO -0.09 0.53 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.54 3cak h LEU 192 N 0.54 0.00 0.00 2.23 3.38 -0.42 0.20 115.31 121.24 3cak h LEU 192 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3cak h LEU 192 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3cak h LEU 192 CO -0.02 0.13 -0.46 0.00 0.09 0.00 0.00 178.44 178.18 3cak h ALA 193 N 1.87 0.69 0.00 1.53 0.00 -1.03 -3.40 119.26 118.92 3cak h ALA 193 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cak h ALA 193 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3cak h ALA 193 CO 0.02 0.00 -0.46 0.25 0.00 0.00 0.00 179.25 179.06 3cak n THR 194 N -2.17 0.00 -0.88 0.00 -2.24 -1.00 -5.02 114.28 102.97 3cak n THR 194 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3cak n THR 194 Cb 0.44 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3cak n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cak n GLY 195 N 1.15 0.70 3.72 3.38 0.00 0.68 -4.67 105.19 110.15 3cak n GLY 195 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3cak n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cak s VAL 196 N -3.05 3.84 0.79 1.61 1.01 -1.26 -1.91 120.40 121.44 3cak s VAL 196 Ca 0.00 1.40 -0.12 0.00 0.00 0.00 0.00 61.98 63.26 3cak s VAL 196 Cb 0.00 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.55 3cak s VAL 196 CO 0.00 0.15 1.12 -2.16 0.00 0.00 0.00 175.10 174.21 3cak s PRO 197 N 0.61 2.15 -0.03 2.72 0.04 -1.26 -4.40 135.00 134.83 3cak s PRO 197 Ca 0.57 0.39 0.03 0.00 0.04 0.00 0.00 61.00 62.03 3cak s PRO 197 Cb -0.31 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 3cak s PRO 197 CO 0.32 -1.52 -0.09 0.08 0.04 0.00 0.00 177.00 175.82 3cak s VAL 198 N -3.35 3.46 0.03 -0.36 1.01 0.14 -1.14 120.40 120.19 3cak s VAL 198 Ca 0.61 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3cak s VAL 198 Cb -0.12 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 3cak s VAL 198 CO 0.52 0.51 -0.09 0.28 0.00 0.00 0.00 175.10 176.32 3cak s THR 199 N -0.86 0.71 0.07 3.92 -1.32 0.11 -0.85 115.64 117.42 3cak s THR 199 Ca 0.14 -0.81 0.07 0.00 -1.21 0.00 0.00 61.69 59.88 3cak s THR 199 Cb -0.11 -0.68 -0.03 0.00 -1.51 0.00 0.00 72.50 70.17 3cak s THR 199 CO 0.03 -0.10 -0.19 0.42 -2.21 0.00 0.00 174.62 172.57 3cak s THR 200 N -0.84 1.54 0.09 5.08 -4.23 -0.32 -1.41 115.64 115.55 3cak s THR 200 Ca -0.03 -1.34 -0.23 0.00 -1.18 0.00 0.00 61.69 58.92 3cak s THR 200 Cb -0.07 -1.39 -0.07 0.00 1.34 0.00 0.00 72.50 72.31 3cak s THR 200 CO 0.01 0.00 0.69 -2.28 -0.54 0.00 0.00 174.62 172.50 3cak s HIS 201 N -1.03 3.81 0.07 3.99 2.46 -0.39 -1.34 115.29 122.86 3cak s HIS 201 Ca 0.05 1.43 0.03 0.00 0.47 0.00 0.00 55.06 57.04 3cak s HIS 201 Cb -0.09 -2.68 -0.03 0.00 -0.13 0.00 0.00 32.58 29.64 3cak s HIS 201 CO 0.03 0.45 -0.10 0.95 -2.47 0.00 0.00 174.74 173.60 3cak s THR 202 N -0.73 0.85 -1.01 0.89 -4.23 -1.23 -2.56 115.64 107.62 3cak s THR 202 Ca 0.34 -1.41 -0.19 0.00 -1.18 0.00 0.00 61.69 59.24 3cak s THR 202 Cb -0.21 -1.09 0.11 0.00 1.34 0.00 0.00 72.50 72.65 3cak s THR 202 CO 0.22 -0.45 1.30 0.00 -0.54 0.00 0.00 174.62 175.15 3cak s ALA 203 N -1.92 3.24 0.27 3.99 0.00 -1.24 -4.83 121.76 121.27 3cak s ALA 203 Ca -0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 51.96 49.22 3cak s ALA 203 Cb -0.06 -4.24 0.33 0.00 0.00 0.00 0.00 23.12 19.15 3cak s ALA 203 CO 0.00 -3.17 1.89 0.00 0.00 0.00 0.00 175.76 174.49 3cak h ALA 204 N 8.84 1.27 0.00 0.00 0.00 -1.90 -0.87 119.26 126.60 3cak h ALA 204 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3cak h ALA 204 Cb 0.99 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3cak h ALA 204 CO 1.24 0.60 -0.03 0.66 0.00 0.00 0.00 179.25 181.72 3cak h SER 205 N 1.13 0.00 -0.02 0.00 4.64 -1.92 0.42 113.55 117.79 3cak h SER 205 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3cak h SER 205 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3cak h SER 205 CO -0.05 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 3cak n GLN 206 N -3.50 1.75 -3.10 4.77 6.02 -0.35 -4.95 117.38 118.03 3cak n GLN 206 Ca -0.02 -1.10 -0.20 0.00 -0.01 0.00 0.00 57.00 55.67 3cak n GLN 206 Cb 0.13 -1.48 0.04 0.00 1.02 0.00 0.00 30.24 29.96 3cak n GLN 206 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3cak n ARG 207 N 0.33 -5.18 -0.27 -1.09 1.74 0.15 -4.87 116.66 107.46 3cak n ARG 207 Ca 0.18 0.76 0.30 0.00 -0.77 0.00 0.00 57.85 58.33 3cak n ARG 207 Cb 0.39 -5.39 0.69 0.00 -1.02 0.00 0.00 32.46 27.12 3cak n ARG 207 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3cak h ASP 208 N -1.61 0.10 -0.71 0.55 5.19 -1.76 -1.71 116.42 116.47 3cak h ASP 208 Ca -0.47 0.02 0.14 0.00 -0.62 0.00 0.00 57.03 56.10 3cak h ASP 208 Cb 1.32 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.78 3cak h ASP 208 CO 0.49 0.02 0.48 1.23 -3.12 0.00 0.00 179.24 178.33 3cak h GLY 209 N 0.09 0.60 0.69 2.75 0.00 -1.89 -1.11 103.07 104.19 3cak h GLY 209 Ca 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 3cak h GLY 209 CO -0.06 0.06 -0.01 0.83 0.00 0.00 0.00 176.54 177.36 3cak h GLU 210 N 0.37 0.10 -0.64 4.80 5.08 -1.69 0.22 114.58 122.82 3cak h GLU 210 Ca 0.34 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 3cak h GLU 210 Cb 0.82 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 3cak h GLU 210 CO -0.10 0.43 0.26 0.37 -1.00 0.00 0.00 179.01 178.97 3cak h GLN 211 N -0.23 0.93 -0.12 2.33 4.15 -1.61 -0.67 115.11 119.90 3cak h GLN 211 Ca 0.01 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 3cak h GLN 211 Cb 0.39 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3cak h GLN 211 CO 0.00 0.76 0.06 1.96 -1.93 0.00 0.00 178.83 179.69 3cak h GLN 212 N 0.92 0.16 -0.46 1.69 4.20 -1.09 -1.16 115.11 119.38 3cak h GLN 212 Ca 0.22 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.97 3cak h GLN 212 Cb 0.18 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 3cak h GLN 212 CO -0.02 0.21 0.12 0.00 -0.67 0.00 0.00 178.83 178.47 3cak h ALA 213 N 0.95 0.53 -0.44 3.87 0.00 -0.81 0.95 119.26 124.31 3cak h ALA 213 Ca 0.04 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3cak h ALA 213 Cb 0.09 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3cak h ALA 213 CO -0.01 -0.28 0.25 0.00 0.00 0.00 0.00 179.25 179.22 3cak h ALA 214 N 1.33 0.56 -0.33 0.00 0.00 -0.76 0.48 119.26 120.53 3cak h ALA 214 Ca 0.22 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3cak h ALA 214 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3cak h ALA 214 CO -0.26 -0.08 -0.07 0.82 0.00 0.00 0.00 179.25 179.65 3cak h ILE 215 N 0.50 1.28 -0.32 0.00 2.04 -0.82 -1.23 117.51 118.95 3cak h ILE 215 Ca 0.18 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.95 3cak h ILE 215 Cb 0.04 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3cak h ILE 215 CO -0.10 0.36 0.13 -0.26 0.00 0.00 0.00 178.15 178.29 3cak h PHE 216 N 0.42 0.24 -0.19 1.37 0.04 -0.57 -2.72 116.94 115.54 3cak h PHE 216 Ca 0.09 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 3cak h PHE 216 Cb 0.57 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3cak h PHE 216 CO 0.05 0.12 -0.30 0.93 -0.60 0.00 0.00 178.31 178.51 3cak h GLU 217 N 0.29 0.36 0.00 1.51 5.08 -0.86 -1.44 114.58 119.53 3cak h GLU 217 Ca 0.14 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3cak h GLU 217 Cb 0.08 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3cak h GLU 217 CO -0.12 0.63 -0.01 0.66 -1.00 0.00 0.00 179.01 179.18 3cak h SER 218 N 0.32 0.00 0.14 1.42 4.64 -0.98 0.68 113.55 119.78 3cak h SER 218 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3cak h SER 218 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3cak h SER 218 CO 0.05 0.01 -0.34 -0.62 -0.87 0.00 0.00 176.83 175.05 3cak n GLU 219 N -3.37 0.96 -0.90 4.77 -0.58 -0.63 -4.97 120.64 115.93 3cak n GLU 219 Ca -0.03 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 56.04 3cak n GLU 219 Cb 0.09 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 3cak n GLU 219 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cak n GLY 220 N 1.37 0.47 3.72 0.62 0.00 0.23 -4.94 105.19 106.66 3cak n GLY 220 Ca 0.11 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3cak n GLY 220 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cak s LEU 221 N 0.00 4.38 0.17 0.99 2.96 -0.68 -4.99 118.68 121.52 3cak s LEU 221 Ca 0.00 2.10 -0.31 0.00 -0.22 0.00 0.00 54.13 55.71 3cak s LEU 221 Cb 0.00 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.02 3cak s LEU 221 CO 0.00 -0.48 1.41 -0.55 -1.32 0.00 0.00 176.35 175.41 3cak s SER 222 N 0.90 6.77 0.56 3.68 0.15 -1.26 -4.39 113.70 120.12 3cak s SER 222 Ca 0.59 2.45 0.24 0.00 0.70 0.00 0.00 55.95 59.93 3cak s SER 222 Cb -0.31 -2.60 1.56 0.00 -1.71 0.00 0.00 66.02 62.96 3cak s SER 222 CO 0.31 -0.66 2.17 -0.65 1.20 0.00 0.00 173.24 175.60 3cak h PRO 223 N 6.14 0.00 0.00 5.44 0.11 -1.84 -0.10 132.00 141.75 3cak h PRO 223 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3cak h PRO 223 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3cak h PRO 223 CO 0.83 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.49 3cak n SER 224 N -4.13 0.00 -1.17 -2.05 3.41 -1.16 -1.47 113.62 107.05 3cak n SER 224 Ca -0.01 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.16 3cak n SER 224 Cb 0.18 -0.48 0.28 0.00 -0.26 0.00 0.00 64.21 63.93 3cak n SER 224 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3cak n ARG 225 N -1.48 3.32 -4.09 4.33 5.12 -0.05 -4.65 116.66 119.16 3cak n ARG 225 Ca 0.01 -2.66 -0.21 0.00 -1.93 0.00 0.00 57.85 53.06 3cak n ARG 225 Cb 0.03 -1.72 -0.17 0.00 -1.16 0.00 0.00 32.46 29.45 3cak n ARG 225 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3cak s VAL 226 N -1.86 0.55 -0.23 1.55 1.01 -0.54 0.24 120.40 121.12 3cak s VAL 226 Ca 0.42 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 3cak s VAL 226 Cb 0.28 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 3cak s VAL 226 CO 0.19 0.24 0.03 0.00 0.00 0.00 0.00 175.10 175.56 3cak s ILE 228 N 1.38 4.32 0.68 0.00 -1.09 0.41 -1.17 121.20 125.73 3cak s ILE 228 Ca 0.05 0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.51 3cak s ILE 228 Cb -0.15 -4.61 0.07 0.00 -1.58 0.00 0.00 42.46 36.19 3cak s ILE 228 CO 0.02 -1.28 0.97 -0.83 -1.23 0.00 0.00 174.94 172.59 3cak s GLY 229 N 3.17 1.74 -1.30 6.18 0.00 -0.45 -0.16 107.32 116.50 3cak s GLY 229 Ca 0.28 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3cak s GLY 229 CO 0.16 -0.72 0.00 1.42 0.00 0.00 0.00 173.10 173.96 3cak n HIS 230 N -2.81 -0.78 0.33 1.90 8.25 -1.06 -3.56 115.22 117.48 3cak n HIS 230 Ca 0.09 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.70 3cak n HIS 230 Cb 0.60 -2.72 0.64 0.00 1.12 0.00 0.00 29.99 29.63 3cak n HIS 230 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3cak h SER 231 N 0.00 0.00 0.06 0.41 0.02 -1.19 -1.31 113.55 111.55 3cak h SER 231 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3cak h SER 231 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3cak h SER 231 CO 0.39 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.18 3cak n ASP 232 N -2.68 0.00 0.10 3.07 5.75 -1.25 -2.97 116.55 118.58 3cak n ASP 232 Ca 0.01 -0.77 0.12 0.00 -0.01 0.00 0.00 54.79 54.14 3cak n ASP 232 Cb 0.24 -0.04 0.45 0.00 -1.03 0.00 0.00 41.12 40.74 3cak n ASP 232 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3cak n ASP 233 N -1.04 0.64 -4.62 -1.12 8.00 -0.49 -4.77 116.55 113.15 3cak n ASP 233 Ca 0.20 0.61 -0.26 0.00 0.71 0.00 0.00 54.79 56.05 3cak n ASP 233 Cb 0.11 -0.76 -0.08 0.00 -0.02 0.00 0.00 41.12 40.36 3cak n ASP 233 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3cak s THR 234 N -3.19 3.43 -1.76 -3.53 -1.32 -1.16 -4.55 115.64 103.56 3cak s THR 234 Ca 0.08 -1.60 0.21 0.00 -1.21 0.00 0.00 61.69 59.16 3cak s THR 234 Cb 0.11 -2.73 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 3cak s THR 234 CO 0.47 -0.14 1.00 0.47 -2.21 0.00 0.00 174.62 174.21 3cak n ASP 235 N -0.14 1.79 -4.57 8.08 8.00 -1.26 -4.86 116.55 123.58 3cak n ASP 235 Ca -0.10 -1.39 -0.33 0.00 0.71 0.00 0.00 54.79 53.68 3cak n ASP 235 Cb 0.56 0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 42.18 3cak n ASP 235 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cak s ASP 236 N -2.43 5.65 0.49 -2.24 -1.08 -1.26 -4.79 116.67 111.01 3cak s ASP 236 Ca 0.16 -1.54 0.21 0.00 -0.52 0.00 0.00 52.55 50.86 3cak s ASP 236 Cb 0.17 -2.58 1.26 0.00 -1.46 0.00 0.00 42.92 40.31 3cak s ASP 236 CO 0.58 -2.37 2.04 -0.07 0.52 0.00 0.00 175.17 175.87 3cak h LEU 237 N 15.99 0.00 -0.30 -1.34 3.38 -1.99 -2.15 115.31 128.89 3cak h LEU 237 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3cak h LEU 237 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3cak h LEU 237 CO 1.30 0.15 0.20 -1.28 0.09 0.00 0.00 178.44 178.90 3cak h SER 238 N 0.00 0.35 -0.20 -0.43 0.87 -1.99 0.37 113.55 112.52 3cak h SER 238 Ca -0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3cak h SER 238 Cb 0.32 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3cak h SER 238 CO 0.02 0.25 0.08 0.22 -0.53 0.00 0.00 176.83 176.88 3cak h TYR 239 N 0.41 0.30 -0.29 2.24 3.20 -1.81 -1.44 116.97 119.57 3cak h TYR 239 Ca 0.11 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3cak h TYR 239 Cb -0.04 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3cak h TYR 239 CO -0.06 0.33 0.09 -0.07 -1.64 0.00 0.00 178.16 176.81 3cak h LEU 240 N 0.17 0.43 -0.94 2.82 3.38 -1.33 -2.55 115.31 117.29 3cak h LEU 240 Ca 0.07 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3cak h LEU 240 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3cak h LEU 240 CO -0.01 0.52 -0.50 0.71 0.09 0.00 0.00 178.44 179.25 3cak h THR 241 N 0.31 1.36 -0.51 0.22 1.35 -0.95 -0.14 112.91 114.55 3cak h THR 241 Ca 0.09 -1.73 -0.10 0.00 -0.55 0.00 0.00 66.41 64.13 3cak h THR 241 Cb 0.25 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.55 3cak h THR 241 CO -0.00 0.50 -0.06 0.00 -0.25 0.00 0.00 175.52 175.71 3cak h ALA 242 N 1.44 0.69 -0.46 6.62 0.00 -1.12 0.21 119.26 126.64 3cak h ALA 242 Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3cak h ALA 242 Cb 0.91 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3cak h ALA 242 CO 0.07 0.56 0.14 -0.07 0.00 0.00 0.00 179.25 179.95 3cak h LEU 243 N 0.80 0.67 -0.79 0.00 3.38 -1.30 -2.73 115.31 115.35 3cak h LEU 243 Ca 0.14 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3cak h LEU 243 Cb 0.60 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3cak h LEU 243 CO 0.04 0.70 0.31 0.00 0.09 0.00 0.00 178.44 179.58 3cak h ALA 244 N 1.00 1.02 0.00 1.53 0.00 -0.80 -1.84 119.26 120.16 3cak h ALA 244 Ca 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3cak h ALA 244 Cb 0.27 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3cak h ALA 244 CO -0.00 0.65 -0.15 0.00 0.00 0.00 0.00 179.25 179.75 3cak h ALA 245 N 1.16 1.65 0.00 0.00 0.00 -0.90 0.09 119.26 121.26 3cak h ALA 245 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3cak h ALA 245 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3cak h ALA 245 CO -0.02 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.95 3cak n ARG 246 N -4.21 0.26 0.00 0.00 1.74 -0.73 -4.90 116.66 108.81 3cak n ARG 246 Ca -0.02 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3cak n ARG 246 Cb 0.22 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3cak n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cak n GLY 247 N 0.93 0.65 3.77 -0.13 0.00 0.02 -4.71 105.19 105.72 3cak n GLY 247 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3cak n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cak s TYR 248 N -2.00 2.68 0.19 1.61 2.02 -0.99 -3.00 117.35 117.85 3cak s TYR 248 Ca 0.00 1.54 -0.23 0.00 -0.37 0.00 0.00 57.07 58.00 3cak s TYR 248 Cb 0.00 -3.34 -0.08 0.00 -0.40 0.00 0.00 41.96 38.14 3cak s TYR 248 CO 0.00 -1.65 0.76 -0.51 -1.57 0.00 0.00 175.55 172.59 3cak s LEU 249 N -3.66 4.50 -0.30 -1.29 1.02 0.02 -4.44 118.68 114.54 3cak s LEU 249 Ca 0.71 1.58 -0.06 0.00 0.02 0.00 0.00 54.13 56.38 3cak s LEU 249 Cb -0.26 -3.41 0.02 0.00 0.02 0.00 0.00 46.19 42.56 3cak s LEU 249 CO 0.29 0.14 0.07 -0.63 0.02 0.00 0.00 176.35 176.25 3cak s ILE 250 N -1.29 3.79 -0.76 -0.59 -1.09 0.20 -0.45 121.20 121.02 3cak s ILE 250 Ca 0.38 -0.86 -0.23 0.00 -2.23 0.00 0.00 60.65 57.71 3cak s ILE 250 Cb -0.21 -3.01 0.07 0.00 -1.58 0.00 0.00 42.46 37.73 3cak s ILE 250 CO 0.24 0.01 1.12 -0.83 -1.23 0.00 0.00 174.94 174.25 3cak s GLY 251 N 1.45 1.34 -1.22 6.18 0.00 0.78 -1.63 107.32 114.21 3cak s GLY 251 Ca 0.01 -1.93 -0.12 0.00 0.00 0.00 0.00 44.72 42.68 3cak s GLY 251 CO 0.02 2.26 1.56 1.04 0.00 0.00 0.00 173.10 177.98 3cak n LEU 252 N 8.03 5.73 -0.15 0.66 4.77 -0.11 -0.90 117.00 135.02 3cak n LEU 252 Ca 0.06 -4.57 0.01 0.00 -0.03 0.00 0.00 56.01 51.49 3cak n LEU 252 Cb 0.47 -1.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.04 3cak n LEU 252 CO 0.64 1.00 0.49 -0.90 -1.33 0.00 0.00 177.39 177.28 3cak n ASP 253 N 4.79 2.06 -0.79 -1.43 5.68 -1.26 -2.23 116.55 123.37 3cak n ASP 253 Ca 0.37 -1.84 0.06 0.00 -0.50 0.00 0.00 54.79 52.87 3cak n ASP 253 Cb 0.40 -0.05 0.22 0.00 -1.14 0.00 0.00 41.12 40.55 3cak n ASP 253 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3cak n HIS 254 N -0.17 0.76 -0.18 2.11 8.25 -1.25 -1.50 115.22 123.25 3cak n HIS 254 Ca 0.03 -1.10 -0.04 0.00 -0.26 0.00 0.00 57.72 56.35 3cak n HIS 254 Cb 0.25 -0.32 0.06 0.00 1.12 0.00 0.00 29.99 31.10 3cak n HIS 254 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3cak h ILE 255 N 1.22 0.95 -0.00 1.59 1.08 -1.77 -0.49 117.51 120.09 3cak h ILE 255 Ca 0.05 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3cak h ILE 255 Cb 1.40 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 3cak h ILE 255 CO 0.21 0.10 0.00 -0.81 -0.69 0.00 0.00 178.15 176.96 3cak n PRO 256 N -4.87 1.04 -2.44 2.37 -0.04 -1.26 -4.18 135.00 125.61 3cak n PRO 256 Ca 0.05 -0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 3cak n PRO 256 Cb 0.15 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.15 3cak n PRO 256 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3cak s HIS 257 N -2.00 2.51 -0.28 0.54 3.76 -0.19 -4.86 115.29 114.78 3cak s HIS 257 Ca 0.41 0.65 -0.21 0.00 -0.15 0.00 0.00 55.06 55.75 3cak s HIS 257 Cb 0.19 -4.38 0.11 0.00 1.11 0.00 0.00 32.58 29.62 3cak s HIS 257 CO 0.32 -1.75 0.92 0.45 -0.85 0.00 0.00 174.74 173.82 3cak s SER 258 N 3.53 -0.58 -0.11 1.40 0.15 -1.23 -4.74 113.70 112.12 3cak s SER 258 Ca 0.55 1.04 0.18 0.00 0.70 0.00 0.00 55.95 58.42 3cak s SER 258 Cb -0.11 1.13 0.72 0.00 -1.71 0.00 0.00 66.02 66.05 3cak s SER 258 CO 0.31 -0.17 1.62 0.00 1.20 0.00 0.00 173.24 176.20 3cak n ALA 259 N 2.97 3.06 -1.67 5.45 0.00 0.70 -4.95 120.51 126.07 3cak n ALA 259 Ca -0.15 -1.55 -0.48 0.00 0.00 0.00 0.00 53.44 51.26 3cak n ALA 259 Cb 0.57 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 3cak n ALA 259 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3cak n ILE 260 N 1.17 0.28 -0.01 0.00 5.41 -1.26 -0.85 119.36 124.10 3cak n ILE 260 Ca 0.26 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.96 3cak n ILE 260 Cb 0.87 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 3cak n ILE 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cak n GLY 261 N 3.85 0.24 2.45 7.39 0.00 -1.26 -4.87 105.19 112.99 3cak n GLY 261 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 3cak n GLY 261 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3cak n LEU 262 N 0.00 0.64 0.26 0.99 -0.00 -0.03 -4.96 117.00 113.90 3cak n LEU 262 Ca 0.00 -2.82 0.16 0.00 -0.00 0.00 0.00 56.01 53.35 3cak n LEU 262 Cb 0.00 0.28 0.88 0.00 -0.00 0.00 0.00 43.42 44.59 3cak n LEU 262 CO 0.00 1.12 1.14 -0.33 -0.00 0.00 0.00 177.39 179.32 3cak h GLU 263 N 1.81 0.00 -0.16 1.47 3.07 -1.82 0.01 114.58 118.96 3cak h GLU 263 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 3cak h GLU 263 Cb 1.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 3cak h GLU 263 CO 0.05 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.41 3cak n ASP 264 N -3.79 1.60 -4.50 1.42 8.00 -1.26 -4.57 116.55 113.45 3cak n ASP 264 Ca -0.01 -1.70 -0.42 0.00 0.71 0.00 0.00 54.79 53.37 3cak n ASP 264 Cb 0.20 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3cak n ASP 264 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3cak s ASN 265 N -1.56 6.18 0.19 -2.24 3.84 -0.01 -4.91 114.94 116.42 3cak s ASN 265 Ca 0.32 -0.80 -0.10 0.00 0.21 0.00 0.00 52.86 52.49 3cak s ASN 265 Cb 0.17 -2.48 0.10 0.00 -0.55 0.00 0.00 41.25 38.49 3cak s ASN 265 CO 0.26 -1.60 1.74 0.00 -2.79 0.00 0.00 177.10 174.70 3cak h ALA 266 N 9.75 0.87 -0.43 1.71 0.00 -1.85 0.15 119.26 129.45 3cak h ALA 266 Ca -0.26 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3cak h ALA 266 Cb 1.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3cak h ALA 266 CO 1.23 0.50 0.01 0.66 0.00 0.00 0.00 179.25 181.64 3cak h SER 267 N 0.95 0.74 -0.37 0.00 4.64 -1.96 -1.24 113.55 116.31 3cak h SER 267 Ca 0.22 -0.30 -0.16 0.00 -0.47 0.00 0.00 61.79 61.08 3cak h SER 267 Cb 0.23 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3cak h SER 267 CO -0.02 0.86 -0.41 0.00 -0.87 0.00 0.00 176.83 176.40 3cak h ALA 268 N 0.91 0.54 -0.68 5.18 0.00 -1.89 -2.52 119.26 120.80 3cak h ALA 268 Ca 0.12 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3cak h ALA 268 Cb 0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3cak h ALA 268 CO 0.02 0.66 0.21 1.03 0.00 0.00 0.00 179.25 181.17 3cak h SER 269 N 0.74 1.00 -0.62 0.00 0.87 -0.90 0.13 113.55 114.76 3cak h SER 269 Ca 0.05 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 3cak h SER 269 Cb 1.00 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 3cak h SER 269 CO 0.10 0.95 0.29 0.00 -0.53 0.00 0.00 176.83 177.64 3cak h ALA 270 N 1.09 1.29 0.10 6.23 0.00 -1.14 0.10 119.26 126.93 3cak h ALA 270 Ca 0.22 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3cak h ALA 270 Cb 0.31 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3cak h ALA 270 CO -0.01 0.54 -0.62 1.25 0.00 0.00 0.00 179.25 180.41 3cak h LEU 271 N 0.92 0.32 0.00 0.00 5.85 -1.08 -3.38 115.31 117.94 3cak h LEU 271 Ca 0.22 -0.95 -0.06 0.00 0.84 0.00 0.00 57.88 57.93 3cak h LEU 271 Cb 0.13 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3cak h LEU 271 CO -0.03 1.30 -1.68 0.18 -0.34 0.00 0.00 178.44 177.87 3cak n LEU 272 N -4.26 0.35 -0.36 2.25 4.77 0.41 -5.03 117.00 115.14 3cak n LEU 272 Ca -0.14 0.14 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 3cak n LEU 272 Cb 0.73 0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.84 3cak n LEU 272 CO 0.44 0.01 -0.09 0.61 -1.33 0.00 0.00 177.39 177.02 3cak n GLY 273 N 1.30 -1.81 0.21 -0.72 0.00 0.35 -3.55 105.19 100.98 3cak n GLY 273 Ca -0.06 -1.42 0.07 0.00 0.00 0.00 0.00 46.02 44.61 3cak n GLY 273 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3cak n ILE 274 N -2.44 1.72 -2.70 -0.61 -6.64 -1.26 -0.22 119.36 107.21 3cak n ILE 274 Ca -0.00 -1.88 -0.41 0.00 -1.77 0.00 0.00 62.75 58.69 3cak n ILE 274 Cb 0.17 -0.05 -0.05 0.00 -1.44 0.00 0.00 39.64 38.27 3cak n ILE 274 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 3cak s ARG 275 N -2.38 4.70 0.78 6.28 0.52 -1.26 -4.75 118.95 122.85 3cak s ARG 275 Ca 0.26 1.49 -0.11 0.00 -0.52 0.00 0.00 55.73 56.86 3cak s ARG 275 Cb 0.22 -3.35 0.06 0.00 0.52 0.00 0.00 34.95 32.40 3cak s ARG 275 CO 0.04 0.23 1.08 -1.54 0.02 0.00 0.00 175.30 175.13 3cak s SER 276 N -0.15 4.57 0.30 0.23 1.04 -1.26 -4.57 113.70 113.85 3cak s SER 276 Ca 0.47 1.62 0.01 0.00 0.48 0.00 0.00 55.95 58.53 3cak s SER 276 Cb -0.24 -2.37 0.46 0.00 0.10 0.00 0.00 66.02 63.96 3cak s SER 276 CO 0.31 -1.96 1.82 4.11 0.98 0.00 0.00 173.24 178.49 3cak h TRP 277 N -1.08 0.70 -0.81 5.02 5.08 -1.87 -2.39 115.95 120.60 3cak h TRP 277 Ca -0.45 -0.08 0.01 0.00 1.08 0.00 0.00 58.89 59.45 3cak h TRP 277 Cb 1.24 -0.20 -0.04 0.00 -3.00 0.00 0.00 29.16 27.16 3cak h TRP 277 CO 0.54 0.66 0.53 1.96 -1.28 0.00 0.00 178.44 180.86 3cak h GLN 278 N 0.63 1.05 -0.19 0.12 7.50 -1.92 0.85 115.11 123.16 3cak h GLN 278 Ca 0.13 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.22 3cak h GLN 278 Cb 0.39 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 27.67 3cak h GLN 278 CO 0.01 0.70 0.12 1.15 -1.50 0.00 0.00 178.83 179.31 3cak h THR 279 N 1.09 1.06 -0.29 -0.54 2.02 -1.82 -0.61 112.91 113.82 3cak h THR 279 Ca 0.30 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.36 3cak h THR 279 Cb -0.11 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3cak h THR 279 CO -0.07 0.06 0.17 0.03 0.37 0.00 0.00 175.52 176.08 3cak h ARG 280 N 0.24 0.34 -0.56 6.66 3.08 -1.20 -2.80 114.38 120.15 3cak h ARG 280 Ca 0.07 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3cak h ARG 280 Cb -0.01 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3cak h ARG 280 CO -0.01 0.23 0.24 0.00 -1.07 0.00 0.00 179.97 179.36 3cak h ALA 281 N 1.12 1.38 0.00 0.04 0.00 -0.57 -1.02 119.26 120.22 3cak h ALA 281 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cak h ALA 281 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3cak h ALA 281 CO -0.05 0.48 0.00 -0.07 0.00 0.00 0.00 179.25 179.61 3cak h LEU 282 N 0.79 0.00 -0.93 0.00 3.38 -0.85 0.10 115.31 117.80 3cak h LEU 282 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3cak h LEU 282 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3cak h LEU 282 CO -0.02 0.00 0.01 -0.07 0.09 0.00 0.00 178.44 178.44 3cak h LEU 283 N 0.00 0.75 -0.05 1.67 3.38 -1.02 0.34 115.31 120.38 3cak h LEU 283 Ca 0.00 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3cak h LEU 283 Cb 0.35 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3cak h LEU 283 CO 0.00 0.82 -0.17 0.40 0.09 0.00 0.00 178.44 179.58 3cak h ILE 284 N 0.74 0.58 -0.66 1.22 2.04 -0.83 -1.28 117.51 119.32 3cak h ILE 284 Ca 0.15 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.04 3cak h ILE 284 Cb 0.44 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3cak h ILE 284 CO 0.02 0.00 0.40 0.50 0.00 0.00 0.00 178.15 179.07 3cak h LYS 285 N -0.25 0.76 -0.41 2.37 3.64 -1.40 -0.67 116.57 120.61 3cak h LYS 285 Ca 0.07 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3cak h LYS 285 Cb 0.35 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3cak h LYS 285 CO -0.20 0.50 0.07 0.00 -2.27 0.00 0.00 179.45 177.56 3cak h ALA 286 N 1.29 0.44 -0.67 5.00 0.00 -0.61 0.22 119.26 124.93 3cak h ALA 286 Ca 0.27 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3cak h ALA 286 Cb 0.05 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3cak h ALA 286 CO -0.12 -0.33 0.14 -0.07 0.00 0.00 0.00 179.25 178.87 3cak h LEU 287 N 0.20 1.03 -0.02 0.00 3.38 -0.89 -1.48 115.31 117.52 3cak h LEU 287 Ca 0.20 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3cak h LEU 287 Cb 0.25 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3cak h LEU 287 CO -0.27 1.00 -0.01 0.40 0.09 0.00 0.00 178.44 179.65 3cak h ILE 288 N 1.02 0.97 0.00 1.22 2.04 -0.66 -1.14 117.51 120.95 3cak h ILE 288 Ca 0.21 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 3cak h ILE 288 Cb 0.40 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3cak h ILE 288 CO 0.01 0.00 -0.08 0.44 0.00 0.00 0.00 178.15 178.51 3cak h ASP 289 N -0.01 0.00 -0.23 1.72 3.32 -0.28 -0.56 116.42 120.38 3cak h ASP 289 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3cak h ASP 289 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3cak h ASP 289 CO -0.02 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 3cak n GLN 290 N -3.76 1.85 -0.14 3.56 6.02 -0.59 -4.94 117.38 119.39 3cak n GLN 290 Ca -0.02 -1.28 0.00 0.00 -0.01 0.00 0.00 57.00 55.68 3cak n GLN 290 Cb 0.18 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.05 3cak n GLN 290 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cak n GLY 291 N 1.17 0.84 2.07 1.08 0.00 -0.22 -4.98 105.19 105.14 3cak n GLY 291 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3cak n GLY 291 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cak n TYR 292 N -2.10 2.61 -0.06 1.61 4.02 -0.45 -4.68 117.16 118.12 3cak n TYR 292 Ca 0.00 -1.35 0.17 0.00 -0.01 0.00 0.00 57.90 56.71 3cak n TYR 292 Cb 0.00 -0.75 0.60 0.00 -0.02 0.00 0.00 39.34 39.17 3cak n TYR 292 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3cak h MET 293 N 2.33 0.19 0.00 -0.72 -0.00 -1.80 -0.25 114.93 114.68 3cak h MET 293 Ca 0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 60.04 3cak h MET 293 Cb 2.47 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 34.03 3cak h MET 293 CO 0.83 0.13 0.00 1.63 -0.00 0.00 0.00 176.91 179.49 3cak n LYS 294 N -4.43 0.09 0.00 -0.10 5.02 -1.26 -3.09 118.16 114.38 3cak n LYS 294 Ca 0.11 0.24 0.12 0.00 -2.02 0.00 0.00 58.31 56.75 3cak n LYS 294 Cb 0.53 -1.64 0.08 0.00 -0.02 0.00 0.00 35.03 33.98 3cak n LYS 294 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3cak n GLN 295 N -1.80 2.11 -3.45 1.97 1.13 -0.11 -4.90 117.38 112.33 3cak n GLN 295 Ca 0.04 -1.76 -0.37 0.00 -1.94 0.00 0.00 57.00 52.97 3cak n GLN 295 Cb 0.26 -1.45 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 3cak n GLN 295 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3cak s ILE 296 N -2.05 5.21 -0.08 5.09 1.01 -1.18 0.61 121.20 129.82 3cak s ILE 296 Ca 0.26 0.75 0.02 0.00 0.00 0.00 0.00 60.65 61.68 3cak s ILE 296 Cb 0.19 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.97 3cak s ILE 296 CO 0.34 0.40 -0.12 -0.76 0.00 0.00 0.00 174.94 174.81 3cak s LEU 297 N 0.22 1.55 0.04 2.97 1.43 -0.65 -4.85 118.68 119.40 3cak s LEU 297 Ca 0.21 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 3cak s LEU 297 Cb -0.14 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 3cak s LEU 297 CO 0.08 -0.01 -0.10 0.68 0.23 0.00 0.00 176.35 177.24 3cak s VAL 298 N 0.97 3.40 0.35 -1.59 -7.23 -1.26 -0.93 120.40 114.11 3cak s VAL 298 Ca -0.08 -1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 58.90 3cak s VAL 298 Cb -0.15 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.33 3cak s VAL 298 CO -0.00 0.29 0.77 -0.55 -0.31 0.00 0.00 175.10 175.30 3cak s SER 299 N -1.68 -0.08 -0.08 4.85 0.15 -0.95 -3.90 113.70 112.01 3cak s SER 299 Ca 0.18 -0.97 0.20 0.00 0.70 0.00 0.00 55.95 56.06 3cak s SER 299 Cb -0.11 0.81 -0.29 0.00 -1.71 0.00 0.00 66.02 64.72 3cak s SER 299 CO 0.09 -1.58 0.36 0.59 1.20 0.00 0.00 173.24 173.91 3cak n ASN 300 N -1.11 0.07 -3.92 5.45 3.02 -1.23 -3.56 115.26 113.98 3cak n ASN 300 Ca -0.07 0.03 -0.28 0.00 -0.03 0.00 0.00 54.58 54.23 3cak n ASN 300 Cb 0.60 1.50 -0.01 0.00 -0.61 0.00 0.00 39.78 41.25 3cak n ASN 300 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3cak n ASP 301 N -2.48 -1.28 -4.93 6.41 2.03 -0.43 -4.42 116.55 111.45 3cak n ASP 301 Ca -0.15 -1.03 -0.22 0.00 0.52 0.00 0.00 54.79 53.91 3cak n ASP 301 Cb 0.80 -2.99 0.05 0.00 -0.72 0.00 0.00 41.12 38.25 3cak n ASP 301 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3cak s TRP 302 N -3.87 2.69 0.17 -0.67 -0.11 -1.26 -4.89 118.94 111.00 3cak s TRP 302 Ca 0.10 -0.02 -0.11 0.00 1.22 0.00 0.00 56.10 57.29 3cak s TRP 302 Cb -0.04 -2.81 0.00 0.00 -1.50 0.00 0.00 33.47 29.12 3cak s TRP 302 CO 0.89 -1.02 0.34 -0.51 -4.62 0.00 0.00 176.95 172.04 3cak s LEU 303 N -4.84 0.74 0.00 5.86 1.02 -1.25 -0.83 118.68 119.38 3cak s LEU 303 Ca 0.59 -0.74 0.08 0.00 0.02 0.00 0.00 54.13 54.08 3cak s LEU 303 Cb -0.10 1.45 -0.06 0.00 0.02 0.00 0.00 46.19 47.50 3cak s LEU 303 CO 0.40 -0.92 0.41 0.49 0.02 0.00 0.00 176.35 176.75 3cak n PHE 304 N -0.24 0.00 -3.72 0.29 3.72 -0.11 -5.01 117.46 112.39 3cak n PHE 304 Ca -0.09 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.17 3cak n PHE 304 Cb 0.63 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.08 3cak n PHE 304 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3cak s GLY 305 N -1.59 -0.23 -0.28 1.37 0.00 -1.12 -4.82 107.32 100.65 3cak s GLY 305 Ca 0.04 0.56 -0.01 0.00 0.00 0.00 0.00 44.72 45.31 3cak s GLY 305 CO 0.29 0.34 0.54 -0.12 0.00 0.00 0.00 173.10 174.14 3cak s PHE 306 N -1.12 -1.39 0.00 1.90 2.19 -1.25 -0.45 117.98 117.85 3cak s PHE 306 Ca -0.12 1.45 0.00 0.00 0.33 0.00 0.00 56.93 58.59 3cak s PHE 306 Cb -0.04 0.40 0.00 0.00 -1.31 0.00 0.00 43.02 42.07 3cak s PHE 306 CO 0.05 -0.84 0.04 -1.13 1.83 0.00 0.00 175.22 175.17 3cak n SER 307 N 5.41 0.09 -0.39 6.13 3.41 -0.02 -4.66 113.62 123.59 3cak n SER 307 Ca -0.02 -0.54 0.06 0.00 -0.26 0.00 0.00 58.87 58.11 3cak n SER 307 Cb 0.51 0.90 0.21 0.00 -0.26 0.00 0.00 64.21 65.56 3cak n SER 307 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3cak n SER 308 N -0.90 1.14 0.00 4.04 3.41 -1.25 -4.88 113.62 115.19 3cak n SER 308 Ca 0.00 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3cak n SER 308 Cb 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3cak n SER 308 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cak n TYR 309 N 0.07 0.00 -1.96 7.33 9.36 -1.26 -5.12 117.16 125.58 3cak n TYR 309 Ca 0.10 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.95 3cak n TYR 309 Cb 0.20 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 38.94 3cak n TYR 309 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3cak s VAL 310 N 1.16 2.48 0.22 2.97 -7.23 -1.26 -4.90 120.40 113.85 3cak s VAL 310 Ca 0.00 0.32 -0.07 0.00 -1.81 0.00 0.00 61.98 60.42 3cak s VAL 310 Cb 0.00 -3.14 0.17 0.00 0.56 0.00 0.00 36.38 33.97 3cak s VAL 310 CO 0.00 -0.04 1.77 0.74 -0.31 0.00 0.00 175.10 177.26 3cak h THR 311 N 1.10 0.83 -0.53 5.32 2.02 -1.92 -1.83 112.91 117.90 3cak h THR 311 Ca -0.50 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 66.37 3cak h THR 311 Cb 1.30 0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 3cak h THR 311 CO 0.56 0.10 0.10 -0.46 0.37 0.00 0.00 175.52 176.20 3cak n ASN 312 N -4.89 4.47 -0.25 4.18 6.94 -1.26 -4.65 115.26 119.80 3cak n ASN 312 Ca 0.11 -3.17 0.16 0.00 -0.02 0.00 0.00 54.58 51.65 3cak n ASN 312 Cb 0.28 -0.66 0.45 0.00 -2.36 0.00 0.00 39.78 37.48 3cak n ASN 312 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3cak h ILE 313 N 2.47 0.75 -0.73 1.53 6.09 -1.63 -1.01 117.51 124.97 3cak h ILE 313 Ca 0.13 -0.18 0.07 0.00 -1.37 0.00 0.00 64.86 63.51 3cak h ILE 313 Cb 1.94 0.17 -0.06 0.00 0.47 0.00 0.00 36.82 39.34 3cak h ILE 313 CO 0.51 0.10 0.41 -0.03 -3.07 0.00 0.00 178.15 176.07 3cak h MET 314 N 0.53 0.72 -0.39 2.19 4.05 -1.83 0.50 114.93 120.70 3cak h MET 314 Ca 0.46 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.81 3cak h MET 314 Cb 0.95 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 3cak h MET 314 CO -0.19 0.48 0.17 -0.44 0.23 0.00 0.00 176.91 177.15 3cak h ASP 315 N 0.74 0.54 -0.39 1.39 3.32 -1.56 0.78 116.42 121.24 3cak h ASP 315 Ca 0.33 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3cak h ASP 315 Cb 0.23 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3cak h ASP 315 CO -0.20 0.54 0.24 0.58 -1.72 0.00 0.00 179.24 178.68 3cak h VAL 316 N 0.49 1.07 -0.68 -1.35 2.07 -1.15 -1.25 116.25 115.45 3cak h VAL 316 Ca 0.13 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3cak h VAL 316 Cb 0.17 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3cak h VAL 316 CO -0.01 0.09 0.44 0.24 0.02 0.00 0.00 177.57 178.35 3cak h MET 317 N 0.49 0.90 0.00 1.57 2.86 -0.57 -1.80 114.93 118.38 3cak h MET 317 Ca 0.15 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3cak h MET 317 Cb -0.02 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 3cak h MET 317 CO -0.05 0.61 -0.18 -0.44 1.06 0.00 0.00 176.91 177.90 3cak h ASP 318 N 0.92 0.00 0.20 1.22 3.32 -0.55 -1.04 116.42 120.49 3cak h ASP 318 Ca 0.25 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 3cak h ASP 318 Cb -0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3cak h ASP 318 CO -0.05 0.18 -0.63 -0.09 -1.72 0.00 0.00 179.24 176.94 3cak h ARG 319 N 0.00 0.41 -0.40 3.56 1.12 -0.71 -2.43 114.38 115.93 3cak h ARG 319 Ca -0.00 -0.29 -0.12 0.00 -1.11 0.00 0.00 59.98 58.45 3cak h ARG 319 Cb 0.35 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.34 3cak h ARG 319 CO 0.02 0.91 -0.23 0.28 -3.11 0.00 0.00 179.97 177.85 3cak h VAL 320 N 0.30 1.28 -2.41 0.20 2.07 -0.57 -3.41 116.25 113.72 3cak h VAL 320 Ca -0.01 -1.37 -0.59 0.00 0.82 0.00 0.00 66.70 65.55 3cak h VAL 320 Cb 1.17 1.30 -0.38 0.00 -1.52 0.00 0.00 31.29 31.86 3cak h VAL 320 CO 0.11 0.46 -0.95 0.21 0.02 0.00 0.00 177.57 177.41 3cak s ASN 321 N -6.60 1.65 0.43 0.57 2.47 -0.47 -4.96 114.94 108.02 3cak s ASN 321 Ca -0.12 -3.02 0.28 0.00 0.42 0.00 0.00 52.86 50.42 3cak s ASN 321 Cb 0.11 -0.47 1.54 0.00 -1.45 0.00 0.00 41.25 40.97 3cak s ASN 321 CO 0.85 -0.18 1.86 -0.65 -3.72 0.00 0.00 177.10 175.26 3cak h PRO 322 N 5.74 0.00 0.00 0.43 0.11 -1.68 -1.68 132.00 134.93 3cak h PRO 322 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3cak h PRO 322 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3cak h PRO 322 CO 0.37 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.72 3cak h ASP 323 N 0.00 0.00 0.00 -2.05 3.32 -1.93 -3.49 116.42 112.28 3cak h ASP 323 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cak h ASP 323 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3cak h ASP 323 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3cak n GLY 324 N 1.16 3.37 0.06 2.75 0.00 -0.63 -1.44 105.19 110.46 3cak n GLY 324 Ca 0.05 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.02 3cak n GLY 324 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cak n MET 325 N 14.00 0.09 0.00 1.61 2.81 -1.26 -2.22 117.12 132.14 3cak n MET 325 Ca 0.00 0.32 0.15 0.00 -1.81 0.00 0.00 57.70 56.37 3cak n MET 325 Cb 0.00 -1.67 0.83 0.00 -0.71 0.00 0.00 33.22 31.67 3cak n MET 325 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3cak n ALA 326 N -1.63 2.57 -0.10 3.04 0.00 -0.52 -4.05 120.51 119.82 3cak n ALA 326 Ca 0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 3cak n ALA 326 Cb 0.20 -1.50 0.01 0.00 0.00 0.00 0.00 19.45 18.17 3cak n ALA 326 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3cak h PHE 327 N 0.02 0.26 0.30 0.00 3.04 -1.53 0.45 116.94 119.49 3cak h PHE 327 Ca 0.00 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 3cak h PHE 327 Cb 0.18 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.58 3cak h PHE 327 CO 0.00 0.13 -0.51 0.82 -2.02 0.00 0.00 178.31 176.72 3cak h ILE 328 N 0.31 0.00 -0.48 1.41 1.08 -1.83 0.76 117.51 118.75 3cak h ILE 328 Ca 0.16 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.55 3cak h ILE 328 Cb 0.11 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 3cak h ILE 328 CO -0.14 0.00 0.01 1.55 -0.69 0.00 0.00 178.15 178.88 3cak h PRO 329 N -0.87 0.85 0.04 2.37 0.13 -1.79 -1.55 132.00 131.19 3cak h PRO 329 Ca -0.03 -0.26 -0.23 0.00 -0.87 0.00 0.00 66.00 64.61 3cak h PRO 329 Cb 0.81 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 3cak h PRO 329 CO -0.18 0.88 -1.05 -0.07 -0.23 0.00 0.00 178.00 177.35 3cak h LEU 330 N 0.70 0.19 0.00 1.56 3.38 -0.91 -3.38 115.31 116.85 3cak h LEU 330 Ca 0.14 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3cak h LEU 330 Cb 0.49 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3cak h LEU 330 CO 0.02 1.11 -1.52 0.54 0.09 0.00 0.00 178.44 178.68 3cak n ARG 331 N -3.48 0.20 -0.09 1.13 5.12 0.22 -4.58 116.66 115.18 3cak n ARG 331 Ca -0.03 0.09 -0.13 0.00 -1.93 0.00 0.00 57.85 55.84 3cak n ARG 331 Cb 0.94 -0.84 -0.05 0.00 -1.16 0.00 0.00 32.46 31.35 3cak n ARG 331 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3cak h VAL 332 N -0.33 1.31 -0.13 1.55 2.07 -0.94 -1.70 116.25 118.08 3cak h VAL 332 Ca -0.24 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 3cak h VAL 332 Cb 1.21 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 3cak h VAL 332 CO -0.14 0.42 0.02 0.40 0.02 0.00 0.00 177.57 178.29 3cak h ILE 333 N 0.30 1.22 -0.49 4.57 1.08 -1.47 0.03 117.51 122.74 3cak h ILE 333 Ca 0.05 -0.70 -0.05 0.00 -0.39 0.00 0.00 64.86 63.76 3cak h ILE 333 Cb 0.74 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 3cak h ILE 333 CO 0.05 0.20 0.08 -0.65 -0.69 0.00 0.00 178.15 177.15 3cak h PRO 334 N -0.01 0.76 -0.31 2.37 0.11 -1.76 0.14 132.00 133.30 3cak h PRO 334 Ca 0.04 -0.17 0.04 0.00 0.11 0.00 0.00 66.00 66.03 3cak h PRO 334 Cb 0.30 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.26 3cak h PRO 334 CO 0.00 0.72 0.05 0.35 -0.21 0.00 0.00 178.00 178.92 3cak h PHE 335 N 0.73 0.09 -0.44 0.65 3.57 -0.90 -0.74 116.94 119.89 3cak h PHE 335 Ca 0.16 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 3cak h PHE 335 Cb 0.33 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3cak h PHE 335 CO 0.02 0.01 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.84 3cak h LEU 336 N 0.16 0.89 -0.12 0.59 3.38 -0.47 -2.22 115.31 117.51 3cak h LEU 336 Ca 0.14 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3cak h LEU 336 Cb 0.16 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3cak h LEU 336 CO -0.20 1.06 -0.16 0.03 0.09 0.00 0.00 178.44 179.27 3cak h ARG 337 N 0.76 -0.19 -0.58 1.13 2.47 -0.49 -0.93 114.38 116.56 3cak h ARG 337 Ca 0.11 0.01 0.14 0.00 -1.26 0.00 0.00 59.98 58.98 3cak h ARG 337 Cb 0.74 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.07 3cak h ARG 337 CO 0.06 -0.13 0.40 1.49 0.56 0.00 0.00 179.97 182.35 3cak h GLU 338 N -0.20 0.16 -0.10 0.04 4.22 -0.95 0.79 114.58 118.54 3cak h GLU 338 Ca 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.52 3cak h GLU 338 Cb 0.33 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3cak h GLU 338 CO -0.24 0.11 0.00 1.63 -2.18 0.00 0.00 179.01 178.33 3cak n LYS 339 N -4.42 1.38 0.00 1.92 4.76 -0.45 -4.89 118.16 116.46 3cak n LYS 339 Ca 0.10 -0.58 0.00 0.00 -2.87 0.00 0.00 58.31 54.96 3cak n LYS 339 Cb 0.53 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 3cak n LYS 339 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cak n GLY 340 N 0.94 0.33 3.68 0.72 0.00 0.27 -5.06 105.19 106.07 3cak n GLY 340 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3cak n GLY 340 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cak s VAL 341 N -2.00 3.80 0.40 1.61 1.01 -0.64 -4.97 120.40 119.59 3cak s VAL 341 Ca 0.00 1.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.83 3cak s VAL 341 Cb 0.00 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 3cak s VAL 341 CO 0.00 -0.03 1.39 -2.84 0.00 0.00 0.00 175.10 173.62 3cak s PRO 342 N 2.85 4.00 0.32 2.72 0.02 -1.26 -4.08 135.00 139.58 3cak s PRO 342 Ca 0.64 2.36 0.09 0.00 0.02 0.00 0.00 61.00 64.11 3cak s PRO 342 Cb -0.30 -2.85 0.87 0.00 0.02 0.00 0.00 34.50 32.24 3cak s PRO 342 CO 0.25 -0.54 1.73 0.37 -0.33 0.00 0.00 177.00 178.48 3cak h GLN 343 N 2.81 0.55 -0.63 5.54 5.75 -1.97 -0.80 115.11 126.36 3cak h GLN 343 Ca -0.50 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 57.96 3cak h GLN 343 Cb 1.25 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 3cak h GLN 343 CO 0.63 0.36 0.35 1.49 -2.65 0.00 0.00 178.83 179.01 3cak h GLU 344 N 0.56 0.86 -0.38 1.69 4.81 -1.99 0.22 114.58 120.35 3cak h GLU 344 Ca 0.64 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.63 3cak h GLU 344 Cb 1.21 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3cak h GLU 344 CO -0.48 0.62 -0.35 1.15 -0.73 0.00 0.00 179.01 179.22 3cak h THR 345 N 0.87 1.28 -0.50 0.32 2.02 -1.53 -2.03 112.91 113.33 3cak h THR 345 Ca 0.22 -1.52 -0.11 0.00 0.77 0.00 0.00 66.41 65.77 3cak h THR 345 Cb 0.01 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3cak h THR 345 CO -0.04 0.51 -0.13 -0.07 0.37 0.00 0.00 175.52 176.16 3cak h LEU 346 N 0.72 0.94 -1.04 2.58 3.38 -0.90 -1.48 115.31 119.52 3cak h LEU 346 Ca 0.07 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3cak h LEU 346 Cb 0.93 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3cak h LEU 346 CO 0.09 1.07 -0.15 0.00 0.09 0.00 0.00 178.44 179.54 3cak h ALA 347 N 1.01 1.19 -0.54 1.53 0.00 -0.55 -1.55 119.26 120.35 3cak h ALA 347 Ca 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3cak h ALA 347 Cb 0.67 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3cak h ALA 347 CO 0.05 0.52 0.23 0.78 0.00 0.00 0.00 179.25 180.83 3cak h GLY 348 N 0.95 0.85 0.96 0.00 0.00 -0.97 0.09 103.07 104.96 3cak h GLY 348 Ca 0.08 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 3cak h GLY 348 CO 0.03 0.42 0.00 -2.22 0.00 0.00 0.00 176.54 174.78 3cak h ILE 349 N 0.73 1.26 0.00 2.60 2.04 -1.03 0.13 117.51 123.24 3cak h ILE 349 Ca 0.18 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3cak h ILE 349 Cb 0.16 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3cak h ILE 349 CO -0.02 0.35 -0.97 0.35 0.00 0.00 0.00 178.15 177.85 3cak n THR 350 N -4.42 0.46 0.04 -0.27 -2.24 -0.61 -4.09 114.28 103.15 3cak n THR 350 Ca -0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3cak n THR 350 Cb 0.29 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3cak n THR 350 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3cak n VAL 351 N -2.42 1.01 0.15 2.28 0.31 0.01 -0.95 118.33 118.72 3cak n VAL 351 Ca 0.01 0.33 -0.14 0.00 -0.01 0.00 0.00 64.34 64.53 3cak n VAL 351 Cb 0.51 -1.56 -0.08 0.00 -0.91 0.00 0.00 33.84 31.80 3cak n VAL 351 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3cak h THR 352 N 0.00 0.78 -0.36 2.52 2.02 -1.38 -3.00 112.91 113.49 3cak h THR 352 Ca 0.00 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.11 3cak h THR 352 Cb 0.17 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3cak h THR 352 CO 0.00 0.02 0.16 0.78 0.37 0.00 0.00 175.52 176.85 3cak h ASN 353 N -0.38 0.21 -0.79 4.18 2.35 -0.90 -2.28 115.58 117.97 3cak h ASN 353 Ca -0.03 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3cak h ASN 353 Cb 0.29 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 3cak h ASN 353 CO 0.06 0.16 0.32 -0.65 -1.65 0.00 0.00 177.43 175.66 3cak h PRO 354 N 0.33 1.18 -0.48 0.81 0.11 -1.73 -0.66 132.00 131.57 3cak h PRO 354 Ca 0.16 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3cak h PRO 354 Cb 0.10 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 3cak h PRO 354 CO -0.13 0.96 0.30 0.00 -0.21 0.00 0.00 178.00 178.92 3cak h ALA 355 N 1.19 0.60 -0.56 -0.75 0.00 -1.37 0.12 119.26 118.49 3cak h ALA 355 Ca 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3cak h ALA 355 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3cak h ALA 355 CO -0.02 0.07 0.09 -0.09 0.00 0.00 0.00 179.25 179.30 3cak h ARG 356 N 0.64 0.89 -0.08 0.00 2.43 -1.22 -1.39 114.38 115.65 3cak h ARG 356 Ca 0.17 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3cak h ARG 356 Cb -0.05 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3cak h ARG 356 CO -0.04 0.82 -0.02 0.35 -1.51 0.00 0.00 179.97 179.58 3cak h PHE 357 N 0.84 0.16 0.05 2.20 3.57 -0.76 -3.34 116.94 119.68 3cak h PHE 357 Ca 0.18 -0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.39 3cak h PHE 357 Cb 0.37 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.07 3cak h PHE 357 CO 0.02 0.46 -1.07 -0.07 -2.23 0.00 0.00 178.31 175.43 3cak h LEU 358 N -0.18 0.51 -9.18 0.59 3.38 -0.66 -3.42 115.31 106.35 3cak h LEU 358 Ca 0.02 -0.46 -0.55 0.00 0.09 0.00 0.00 57.88 56.97 3cak h LEU 358 Cb 0.41 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3cak h LEU 358 CO 0.01 1.29 1.25 -0.55 0.09 0.00 0.00 178.44 180.53 3cak s SER 359 N -7.13 6.23 0.19 -0.43 0.15 -0.53 -4.71 113.70 107.46 3cak s SER 359 Ca -0.05 2.19 -0.33 0.00 0.70 0.00 0.00 55.95 58.46 3cak s SER 359 Cb 0.08 -2.53 -0.15 0.00 -1.71 0.00 0.00 66.02 61.72 3cak s SER 359 CO 0.88 -1.30 1.34 -2.65 1.20 0.00 0.00 173.24 172.71 3cak n PRO 360 N 7.80 1.65 -3.55 5.44 -0.02 -1.26 -4.84 135.00 140.22 3cak n PRO 360 Ca 0.22 0.59 -0.07 0.00 -2.02 0.00 0.00 63.50 62.22 3cak n PRO 360 Cb 0.43 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 3cak n PRO 360 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3cak s THR 361 N 0.09 0.00 -0.82 3.45 -1.32 -0.80 -4.36 115.64 111.88 3cak s THR 361 Ca 0.73 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.44 3cak s THR 361 Cb -0.76 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.08 3cak s THR 361 CO 0.49 0.00 1.02 0.18 -2.21 0.00 0.00 174.62 174.09 3cak n LEU 362 N -0.16 0.71 -3.27 9.08 4.77 -1.26 -4.36 117.00 122.51 3cak n LEU 362 Ca -0.05 -0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 55.68 3cak n LEU 362 Cb 0.60 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 3cak n LEU 362 CO 0.10 0.15 0.05 -0.60 -1.33 0.00 0.00 177.39 175.76 3cak s ARG 363 N -3.09 0.45 0.00 3.23 3.52 -1.26 -4.46 118.95 117.34 3cak s ARG 363 Ca 0.06 0.77 0.27 0.00 -0.13 0.00 0.00 55.73 56.70 3cak s ARG 363 Cb 0.16 0.03 0.83 0.00 -1.56 0.00 0.00 34.95 34.40 3cak s ARG 363 CO 0.82 -0.62 1.62 0.00 -0.81 0.00 0.00 175.30 176.31