#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hek s GLN 10 N 0.00 4.31 0.65 -0.67 -1.52 -1.26 -5.05 119.66 116.12 3hek s GLN 10 Ca 0.00 0.92 -0.17 0.00 -1.95 0.00 0.00 55.36 54.16 3hek s GLN 10 Cb 0.00 -2.98 -0.00 0.00 -0.22 0.00 0.00 33.01 29.80 3hek s GLN 10 CO 0.00 0.45 1.18 -1.25 -0.25 0.00 0.00 175.29 175.42 3hek s PRO 11 N -1.74 2.68 0.28 2.91 0.04 -1.26 -4.92 135.00 132.99 3hek s PRO 11 Ca 0.40 1.70 0.02 0.00 0.04 0.00 0.00 61.00 63.17 3hek s PRO 11 Cb -0.18 -1.91 0.42 0.00 0.04 0.00 0.00 34.50 32.87 3hek s PRO 11 CO 0.22 -1.41 1.74 0.52 0.04 0.00 0.00 177.00 178.11 3hek h MET 12 N 0.33 0.52 -2.97 4.56 2.86 -2.09 -3.45 114.93 114.69 3hek h MET 12 Ca -0.49 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 56.89 3hek h MET 12 Cb 1.28 -0.04 -0.18 0.00 0.06 0.00 0.00 31.60 32.73 3hek h MET 12 CO 0.53 0.69 -0.13 -1.21 1.06 0.00 0.00 176.91 177.86 3hek s GLU 13 N -4.59 0.87 -0.09 1.72 2.02 -1.26 -5.15 118.70 112.22 3hek s GLU 13 Ca -0.07 -0.28 -0.04 0.00 0.02 0.00 0.00 54.97 54.60 3hek s GLU 13 Cb 0.14 0.39 0.05 0.00 0.10 0.00 0.00 34.13 34.81 3hek s GLU 13 CO 0.79 -0.28 0.18 -2.00 0.02 0.00 0.00 175.26 173.96 3hek s GLU 14 N -2.12 0.07 0.07 1.61 2.12 -1.26 -5.16 118.70 114.03 3hek s GLU 14 Ca -0.08 0.55 -0.14 0.00 0.36 0.00 0.00 54.97 55.66 3hek s GLU 14 Cb -0.02 -0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.18 3hek s GLU 14 CO 0.00 -0.27 0.33 -1.83 -0.54 0.00 0.00 175.26 172.95 3hek s GLU 15 N 2.05 0.91 0.25 4.30 -1.05 -1.26 -5.13 118.70 118.77 3hek s GLU 15 Ca -0.00 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 53.92 3hek s GLU 15 Cb -0.12 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 33.87 3hek s GLU 15 CO -0.06 -0.32 1.11 -1.21 0.95 0.00 0.00 175.26 175.73 3hek s GLU 16 N -3.10 4.61 -0.16 -4.83 0.41 -1.26 -5.04 118.70 109.33 3hek s GLU 16 Ca -0.01 1.81 0.01 0.00 -0.41 0.00 0.00 54.97 56.36 3hek s GLU 16 Cb 0.01 -3.21 0.01 0.00 -1.78 0.00 0.00 34.13 29.16 3hek s GLU 16 CO -0.07 0.15 -0.18 0.08 -0.49 0.00 0.00 175.26 174.75 3hek s VAL 17 N -0.90 2.33 -0.14 2.63 1.01 -1.26 -4.54 120.40 119.52 3hek s VAL 17 Ca 0.46 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 3hek s VAL 17 Cb -0.32 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3hek s VAL 17 CO 0.40 0.53 0.07 -1.61 0.00 0.00 0.00 175.10 174.49 3hek s GLU 18 N 0.97 3.59 -0.15 2.72 2.02 -0.57 -4.97 118.70 122.31 3hek s GLU 18 Ca -0.03 -0.30 -0.02 0.00 0.02 0.00 0.00 54.97 54.65 3hek s GLU 18 Cb -0.15 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.96 3hek s GLU 18 CO -0.04 0.52 -0.09 0.99 0.02 0.00 0.00 175.26 176.66 3hek s THR 19 N -0.32 3.35 0.05 3.63 2.01 -1.26 -0.89 115.64 122.21 3hek s THR 19 Ca 0.09 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.61 3hek s THR 19 Cb -0.12 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 3hek s THR 19 CO 0.02 0.50 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.93 3hek s PHE 20 N 0.47 2.61 0.15 4.92 0.40 0.48 -4.97 117.98 122.03 3hek s PHE 20 Ca -0.07 -0.22 -0.27 0.00 -0.60 0.00 0.00 56.93 55.76 3hek s PHE 20 Cb -0.15 -1.46 -0.07 0.00 0.51 0.00 0.00 43.02 41.84 3hek s PHE 20 CO 0.04 0.30 0.86 0.00 0.70 0.00 0.00 175.22 177.11 3hek s ALA 21 N -0.99 3.36 0.47 5.36 0.00 -1.26 -1.02 121.76 127.67 3hek s ALA 21 Ca 0.16 0.46 -0.24 0.00 0.00 0.00 0.00 51.96 52.33 3hek s ALA 21 Cb -0.11 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 3hek s ALA 21 CO 0.07 0.15 1.32 -0.06 0.00 0.00 0.00 175.76 177.24 3hek s PHE 22 N -0.67 2.60 0.59 0.00 0.08 -0.56 -4.66 117.98 115.35 3hek s PHE 22 Ca 0.40 1.39 -0.19 0.00 0.12 0.00 0.00 56.93 58.65 3hek s PHE 22 Cb -0.23 -3.71 -0.05 0.00 -0.57 0.00 0.00 43.02 38.46 3hek s PHE 22 CO 0.28 -2.40 1.09 0.94 -0.10 0.00 0.00 175.22 175.02 3hek n GLN 23 N -0.38 1.10 -0.17 0.44 0.00 0.11 -4.67 117.38 113.82 3hek n GLN 23 Ca 0.07 0.42 -0.02 0.00 -0.00 0.00 0.00 57.00 57.46 3hek n GLN 23 Cb 0.44 -2.29 0.07 0.00 0.00 0.00 0.00 30.24 28.47 3hek n GLN 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hek h ALA 24 N 0.74 0.64 -0.06 1.69 0.00 -1.93 -0.64 119.26 119.71 3hek h ALA 24 Ca -0.49 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 3hek h ALA 24 Cb 1.35 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3hek h ALA 24 CO 0.53 -0.22 -0.58 0.93 0.00 0.00 0.00 179.25 179.90 3hek h GLU 25 N 0.35 0.18 -0.36 0.00 5.08 -1.98 -1.69 114.58 116.15 3hek h GLU 25 Ca 0.26 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3hek h GLU 25 Cb 0.29 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3hek h GLU 25 CO -0.27 0.71 0.07 0.82 -1.00 0.00 0.00 179.01 179.34 3hek h ILE 26 N 0.14 1.23 -0.91 3.13 1.08 -1.63 0.19 117.51 120.74 3hek h ILE 26 Ca -0.00 -0.82 0.05 0.00 -0.39 0.00 0.00 64.86 63.70 3hek h ILE 26 Cb 1.07 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.83 3hek h ILE 26 CO 0.09 0.28 0.58 0.00 -0.69 0.00 0.00 178.15 178.40 3hek h ALA 27 N 0.92 1.23 -0.43 1.87 0.00 -0.97 -0.54 119.26 121.33 3hek h ALA 27 Ca 0.11 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3hek h ALA 27 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hek h ALA 27 CO 0.01 0.38 -0.06 1.96 0.00 0.00 0.00 179.25 181.54 3hek h GLN 28 N 1.08 0.81 -0.48 0.00 4.20 -0.81 -2.23 115.11 117.68 3hek h GLN 28 Ca 0.38 -0.29 0.01 0.00 0.06 0.00 0.00 58.65 58.81 3hek h GLN 28 Cb 0.10 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3hek h GLN 28 CO -0.15 0.90 0.31 1.25 -0.67 0.00 0.00 178.83 180.48 3hek h LEU 29 N 0.64 0.54 -0.63 1.46 5.85 -0.25 -2.36 115.31 120.54 3hek h LEU 29 Ca 0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3hek h LEU 29 Cb 0.58 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3hek h LEU 29 CO 0.03 0.39 0.38 0.24 -0.34 0.00 0.00 178.44 179.15 3hek h MET 30 N 0.64 0.86 -0.79 1.25 2.86 -0.95 -0.52 114.93 118.28 3hek h MET 30 Ca 0.18 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3hek h MET 30 Cb -0.07 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.38 3hek h MET 30 CO -0.04 0.61 0.42 1.03 1.06 0.00 0.00 176.91 179.99 3hek h SER 31 N 0.86 1.00 -0.44 1.22 0.87 -1.27 -0.52 113.55 115.27 3hek h SER 31 Ca 0.23 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3hek h SER 31 Cb -0.03 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 3hek h SER 31 CO -0.04 0.81 0.07 -0.07 -0.53 0.00 0.00 176.83 177.07 3hek h LEU 32 N 1.11 0.70 -1.01 2.23 3.38 -0.94 -1.84 115.31 118.95 3hek h LEU 32 Ca 0.28 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3hek h LEU 32 Cb 0.05 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3hek h LEU 32 CO -0.04 0.78 0.14 0.40 0.09 0.00 0.00 178.44 179.81 3hek h ILE 33 N 0.59 1.23 0.01 1.22 2.04 -0.58 -2.36 117.51 119.66 3hek h ILE 33 Ca 0.13 -0.82 -0.19 0.00 1.00 0.00 0.00 64.86 64.99 3hek h ILE 33 Cb 0.38 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3hek h ILE 33 CO 0.01 0.31 -0.87 0.40 0.00 0.00 0.00 178.15 178.00 3hek h ILE 34 N 0.83 1.57 -0.18 -0.67 2.04 -1.01 -3.37 117.51 116.72 3hek h ILE 34 Ca 0.18 -2.80 0.00 0.00 1.00 0.00 0.00 64.86 63.24 3hek h ILE 34 Cb 0.29 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3hek h ILE 34 CO -0.00 0.81 0.00 0.59 0.00 0.00 0.00 178.15 179.54 3hek n ASN 35 N -3.58 2.63 -4.40 1.72 3.02 -0.70 -4.95 115.26 109.01 3hek n ASN 35 Ca -0.02 -1.76 -0.32 0.00 -0.03 0.00 0.00 54.58 52.45 3hek n ASN 35 Cb 0.81 -0.11 -0.14 0.00 -0.61 0.00 0.00 39.78 39.73 3hek n ASN 35 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hek s THR 36 N -1.18 2.67 0.26 3.41 2.01 -0.90 -5.05 115.64 116.86 3hek s THR 36 Ca 0.23 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 61.07 3hek s THR 36 Cb 0.14 -2.02 -0.09 0.00 0.01 0.00 0.00 72.50 70.54 3hek s THR 36 CO 0.20 0.58 1.03 0.12 -0.69 0.00 0.00 174.62 175.86 3hek s PHE 37 N -0.53 3.77 0.02 4.92 5.36 -1.26 -4.93 117.98 125.33 3hek s PHE 37 Ca 0.07 1.80 0.01 0.00 -0.96 0.00 0.00 56.93 57.85 3hek s PHE 37 Cb -0.11 -3.14 -0.01 0.00 -0.34 0.00 0.00 43.02 39.41 3hek s PHE 37 CO 0.01 -0.08 -0.04 0.71 -1.46 0.00 0.00 175.22 174.36 3hek s TYR 38 N -1.17 0.31 -1.71 10.12 2.02 -1.26 -5.06 117.35 120.60 3hek s TYR 38 Ca 0.43 -0.32 0.28 0.00 -0.37 0.00 0.00 57.07 57.09 3hek s TYR 38 Cb -0.29 -0.20 1.08 0.00 -0.40 0.00 0.00 41.96 42.15 3hek s TYR 38 CO 0.37 -0.09 1.77 -1.13 -1.57 0.00 0.00 175.55 174.90 3hek n SER 39 N 2.15 0.66 -2.95 2.29 3.41 -1.26 -4.22 113.62 113.71 3hek n SER 39 Ca -0.19 -0.70 -0.17 0.00 -0.26 0.00 0.00 58.87 57.55 3hek n SER 39 Cb 0.57 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.50 3hek n SER 39 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hek n ASN 40 N -0.83 1.69 0.11 4.04 6.94 -1.26 -4.90 115.26 121.05 3hek n ASN 40 Ca 0.14 -3.04 0.10 0.00 -0.02 0.00 0.00 54.58 51.76 3hek n ASN 40 Cb 0.30 -0.57 0.45 0.00 -2.36 0.00 0.00 39.78 37.59 3hek n ASN 40 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3hek n LYS 41 N 0.06 0.14 0.32 -3.83 5.02 -1.26 -2.86 118.16 115.76 3hek n LYS 41 Ca 0.22 0.45 0.20 0.00 -2.02 0.00 0.00 58.31 57.15 3hek n LYS 41 Cb 0.68 -1.80 1.12 0.00 -0.02 0.00 0.00 35.03 35.00 3hek n LYS 41 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3hek h GLU 42 N 0.00 0.00 0.00 1.97 4.11 -1.95 -2.61 114.58 116.09 3hek h GLU 42 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hek h GLU 42 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hek h GLU 42 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 179.01 179.52 3hek n ILE 43 N -3.36 1.71 -0.21 -1.06 -6.64 -1.13 -2.02 119.36 106.65 3hek n ILE 43 Ca -0.03 0.44 0.02 0.00 -1.77 0.00 0.00 62.75 61.41 3hek n ILE 43 Cb 0.07 -1.38 0.27 0.00 -1.44 0.00 0.00 39.64 37.16 3hek n ILE 43 CO 0.00 0.00 0.00 2.19 -1.77 0.00 0.00 176.55 176.97 3hek h PHE 44 N 0.00 0.91 -0.37 4.28 -5.15 -1.75 -2.24 116.94 112.62 3hek h PHE 44 Ca 0.00 0.02 -0.15 0.00 -0.20 0.00 0.00 57.97 57.64 3hek h PHE 44 Cb 0.06 -0.31 -0.01 0.00 0.22 0.00 0.00 35.95 35.92 3hek h PHE 44 CO 0.00 0.56 -0.35 1.25 -2.00 0.00 0.00 178.31 177.76 3hek h LEU 45 N 0.96 0.90 -0.69 2.10 5.85 -1.68 -2.01 115.31 120.74 3hek h LEU 45 Ca 0.28 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.67 3hek h LEU 45 Cb -0.06 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.66 3hek h LEU 45 CO -0.07 1.16 0.38 -0.09 -0.34 0.00 0.00 178.44 179.48 3hek h ARG 46 N 0.71 0.67 -0.46 1.25 2.43 -1.61 -0.41 114.38 116.95 3hek h ARG 46 Ca 0.07 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3hek h ARG 46 Cb 0.92 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3hek h ARG 46 CO 0.08 0.44 -0.11 0.93 -1.51 0.00 0.00 179.97 179.81 3hek h GLU 47 N 0.69 0.89 -0.14 0.20 4.39 -1.04 -0.32 114.58 119.25 3hek h GLU 47 Ca 0.32 -0.34 -0.18 0.00 0.34 0.00 0.00 59.36 59.50 3hek h GLU 47 Cb 0.23 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3hek h GLU 47 CO -0.20 0.98 -0.66 -0.07 -1.16 0.00 0.00 179.01 177.90 3hek h LEU 48 N 0.73 0.61 -0.75 1.33 3.38 -1.16 -1.26 115.31 118.19 3hek h LEU 48 Ca 0.12 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 3hek h LEU 48 Cb 0.65 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3hek h LEU 48 CO 0.04 1.11 -0.07 0.40 0.09 0.00 0.00 178.44 180.02 3hek h ILE 49 N 0.38 1.26 -0.66 1.22 2.04 -1.00 -1.70 117.51 119.06 3hek h ILE 49 Ca -0.02 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 3hek h ILE 49 Cb 1.23 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3hek h ILE 49 CO 0.12 0.40 0.33 -1.28 0.00 0.00 0.00 178.15 177.72 3hek h SER 50 N 0.80 0.85 -0.75 1.72 0.87 -0.83 -0.02 113.55 116.20 3hek h SER 50 Ca 0.14 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 3hek h SER 50 Cb 0.57 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3hek h SER 50 CO 0.03 0.74 0.39 0.78 -0.53 0.00 0.00 176.83 178.24 3hek h ASN 51 N 0.91 0.95 -0.75 6.23 4.21 -1.01 -1.18 115.58 124.95 3hek h ASN 51 Ca 0.23 -0.11 -0.05 0.00 1.21 0.00 0.00 56.30 57.57 3hek h ASN 51 Cb 0.10 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 3hek h ASN 51 CO -0.03 0.80 0.26 0.28 -1.29 0.00 0.00 177.43 177.45 3hek h SER 52 N 1.04 1.06 -0.50 5.81 0.02 -0.95 -1.51 113.55 118.53 3hek h SER 52 Ca 0.26 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3hek h SER 52 Cb 0.08 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3hek h SER 52 CO -0.04 0.97 0.11 -1.28 -1.14 0.00 0.00 176.83 175.46 3hek h SER 53 N 1.10 0.81 -0.45 3.07 0.87 -0.47 0.00 113.55 118.48 3hek h SER 53 Ca 0.24 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 3hek h SER 53 Cb 0.27 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3hek h SER 53 CO -0.01 0.81 0.05 0.44 -0.53 0.00 0.00 176.83 177.58 3hek h ASP 54 N 0.83 0.73 -0.59 6.23 3.32 -0.92 -0.36 116.42 125.67 3hek h ASP 54 Ca 0.18 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3hek h ASP 54 Cb 0.33 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3hek h ASP 54 CO 0.00 0.83 0.21 0.00 -1.72 0.00 0.00 179.24 178.56 3hek h ALA 55 N 0.93 1.19 -0.28 3.45 0.00 -0.85 -1.87 119.26 121.84 3hek h ALA 55 Ca 0.13 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3hek h ALA 55 Cb 0.42 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hek h ALA 55 CO 0.01 0.57 -0.21 -0.07 0.00 0.00 0.00 179.25 179.56 3hek h LEU 56 N 0.92 0.66 -0.82 0.00 3.38 -0.75 -2.06 115.31 116.63 3hek h LEU 56 Ca 0.21 -0.45 0.14 0.00 0.09 0.00 0.00 57.88 57.87 3hek h LEU 56 Cb 0.24 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 3hek h LEU 56 CO -0.01 0.97 0.40 0.44 0.09 0.00 0.00 178.44 180.33 3hek h ASP 57 N 0.36 0.47 -0.40 -0.43 3.32 -0.85 -1.86 116.42 117.03 3hek h ASP 57 Ca 0.05 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 3hek h ASP 57 Cb 0.75 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 3hek h ASP 57 CO 0.06 0.20 -0.18 0.11 -1.72 0.00 0.00 179.24 177.71 3hek h LYS 58 N 0.58 0.83 -0.03 3.56 1.57 -1.06 0.11 116.57 122.14 3hek h LYS 58 Ca 0.44 -0.36 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3hek h LYS 58 Cb 0.62 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3hek h LYS 58 CO -0.36 0.99 -0.58 0.97 -0.57 0.00 0.00 179.45 179.90 3hek h ILE 59 N 0.64 1.40 -0.16 1.86 6.09 -1.34 -1.26 117.51 124.74 3hek h ILE 59 Ca 0.09 -1.96 -0.03 0.00 -1.37 0.00 0.00 64.86 61.59 3hek h ILE 59 Cb 0.73 2.03 -0.01 0.00 0.47 0.00 0.00 36.82 40.04 3hek h ILE 59 CO 0.06 0.57 -0.01 -0.09 -3.07 0.00 0.00 178.15 175.60 3hek h ARG 60 N 0.07 0.30 -0.65 2.19 2.43 -1.01 -0.89 114.38 116.81 3hek h ARG 60 Ca -0.00 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 58.99 3hek h ARG 60 Cb 1.04 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 3hek h ARG 60 CO 0.08 0.54 0.11 1.88 -1.51 0.00 0.00 179.97 181.06 3hek h TYR 61 N 0.03 1.15 -0.89 2.20 0.05 -0.91 -2.24 116.97 116.36 3hek h TYR 61 Ca 0.05 -0.16 0.01 0.00 0.05 0.00 0.00 58.73 58.67 3hek h TYR 61 Cb 0.41 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 3hek h TYR 61 CO 0.04 0.97 0.59 0.93 -1.05 0.00 0.00 178.16 179.63 3hek h GLU 62 N 1.00 1.17 0.00 4.88 5.08 -1.18 -2.78 114.58 122.74 3hek h GLU 62 Ca 0.20 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3hek h GLU 62 Cb 0.44 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3hek h GLU 62 CO 0.01 0.78 -0.23 0.66 -1.00 0.00 0.00 179.01 179.22 3hek h SER 63 N 1.21 0.00 0.05 1.42 4.64 -0.58 -1.15 113.55 119.14 3hek h SER 63 Ca 0.32 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.65 3hek h SER 63 Cb -0.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 3hek h SER 63 CO -0.07 0.23 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.76 3hek h LEU 64 N 0.00 -0.88 0.00 5.97 3.38 -1.15 -2.51 115.31 120.11 3hek h LEU 64 Ca -0.00 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3hek h LEU 64 Cb 0.72 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3hek h LEU 64 CO 0.03 -0.30 -0.56 0.71 0.09 0.00 0.00 178.44 178.41 3hek h THR 65 N -0.40 0.68 -3.08 0.22 1.35 -1.67 -3.39 112.91 106.61 3hek h THR 65 Ca -0.00 -1.99 -0.61 0.00 -0.55 0.00 0.00 66.41 63.25 3hek h THR 65 Cb 0.41 2.29 -0.40 0.00 -1.73 0.00 0.00 68.15 68.72 3hek h THR 65 CO -0.17 0.39 -0.72 -0.62 -0.25 0.00 0.00 175.52 174.15 3hek s ASP 66 N -6.31 3.81 0.53 5.36 -1.08 -0.44 -4.99 116.67 113.55 3hek s ASP 66 Ca 0.03 -2.57 0.27 0.00 -0.52 0.00 0.00 52.55 49.77 3hek s ASP 66 Cb 0.07 -1.12 1.50 0.00 -1.46 0.00 0.00 42.92 41.91 3hek s ASP 66 CO 0.74 -0.28 2.10 -0.65 0.52 0.00 0.00 175.17 177.60 3hek h PRO 67 N 6.86 0.00 0.00 4.34 0.11 -1.65 -2.77 132.00 138.88 3hek h PRO 67 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3hek h PRO 67 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3hek h PRO 67 CO 0.51 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 3hek n SER 68 N -3.69 0.00 0.05 -2.05 3.41 -1.26 -2.35 113.62 107.74 3hek n SER 68 Ca -0.02 0.31 0.09 0.00 -0.26 0.00 0.00 58.87 58.99 3hek n SER 68 Cb 0.21 -0.40 0.40 0.00 -0.26 0.00 0.00 64.21 64.15 3hek n SER 68 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hek n LYS 69 N -1.40 0.08 -0.28 4.33 4.76 -1.05 -1.88 118.16 122.72 3hek n LYS 69 Ca 0.05 0.30 0.12 0.00 -2.87 0.00 0.00 58.31 55.92 3hek n LYS 69 Cb 0.15 -1.65 0.27 0.00 -1.84 0.00 0.00 35.03 31.96 3hek n LYS 69 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3hek n LEU 70 N -1.81 3.72 0.27 -0.35 4.77 -0.99 -4.24 117.00 118.37 3hek n LEU 70 Ca 0.03 -1.74 0.18 0.00 -0.03 0.00 0.00 56.01 54.46 3hek n LEU 70 Cb 0.21 -0.37 0.93 0.00 -2.33 0.00 0.00 43.42 41.85 3hek n LEU 70 CO 0.17 0.87 1.15 0.44 -1.33 0.00 0.00 177.39 178.69 3hek h ASP 71 N 4.41 0.00 -0.50 -1.43 3.32 -1.58 -0.81 116.42 119.83 3hek h ASP 71 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hek h ASP 71 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3hek h ASP 71 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 3hek n SER 72 N -3.48 3.92 0.00 6.45 3.41 -1.26 -4.91 113.62 117.75 3hek n SER 72 Ca -0.01 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 3hek n SER 72 Cb 0.25 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3hek n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hek n GLY 73 N 0.89 3.84 0.08 5.00 0.00 -0.31 -3.96 105.19 110.73 3hek n GLY 73 Ca 0.20 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 3hek n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hek h LYS 74 N 0.00 0.02 -6.38 1.61 1.79 -1.91 -3.44 116.57 108.26 3hek h LYS 74 Ca 0.00 -0.04 -0.54 0.00 -2.18 0.00 0.00 60.65 57.89 3hek h LYS 74 Cb 0.00 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 3hek h LYS 74 CO 0.00 0.65 0.67 -1.21 -1.08 0.00 0.00 179.45 178.48 3hek s GLU 75 N -2.62 4.37 -0.36 3.15 2.02 -1.26 -5.00 118.70 119.00 3hek s GLU 75 Ca -0.05 1.75 -0.06 0.00 0.02 0.00 0.00 54.97 56.63 3hek s GLU 75 Cb 0.08 -3.49 0.06 0.00 0.10 0.00 0.00 34.13 30.88 3hek s GLU 75 CO 0.82 -0.40 0.15 -0.51 0.02 0.00 0.00 175.26 175.34 3hek s LEU 76 N 1.83 4.61 0.29 1.80 1.43 -1.26 -4.77 118.68 122.62 3hek s LEU 76 Ca 0.58 -1.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.16 3hek s LEU 76 Cb -0.27 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.08 3hek s LEU 76 CO 0.25 -0.40 0.67 -1.38 0.23 0.00 0.00 176.35 175.72 3hek s HIS 77 N 1.37 0.02 -0.08 0.29 -3.43 -1.26 -4.40 115.29 107.79 3hek s HIS 77 Ca 0.00 -0.48 0.02 0.00 -0.80 0.00 0.00 55.06 53.81 3hek s HIS 77 Cb -0.21 0.59 0.01 0.00 -1.43 0.00 0.00 32.58 31.54 3hek s HIS 77 CO 0.02 -1.23 -0.15 0.42 -2.00 0.00 0.00 174.74 171.80 3hek s ILE 78 N -3.69 1.41 -0.03 -5.38 1.01 -0.06 -2.70 121.20 111.76 3hek s ILE 78 Ca 0.15 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.22 3hek s ILE 78 Cb -0.04 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 3hek s ILE 78 CO 0.09 0.42 -0.15 0.20 0.00 0.00 0.00 174.94 175.49 3hek s ASN 79 N 0.71 4.00 -0.16 3.58 0.01 0.66 -1.03 114.94 122.70 3hek s ASN 79 Ca -0.13 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 3hek s ASN 79 Cb -0.16 -0.81 0.00 0.00 0.41 0.00 0.00 41.25 40.70 3hek s ASN 79 CO 0.03 0.33 -0.16 -0.76 -1.51 0.00 0.00 177.10 175.03 3hek s LEU 80 N -0.88 2.39 -0.33 0.60 1.43 -0.22 -1.06 118.68 120.60 3hek s LEU 80 Ca 0.12 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3hek s LEU 80 Cb -0.11 -1.54 0.10 0.00 0.03 0.00 0.00 46.19 44.67 3hek s LEU 80 CO 0.02 0.06 0.10 -0.63 0.23 0.00 0.00 176.35 176.12 3hek s ILE 81 N 0.97 1.34 0.05 -0.59 1.01 -0.23 -0.72 121.20 123.03 3hek s ILE 81 Ca -0.03 -1.80 -0.29 0.00 0.00 0.00 0.00 60.65 58.54 3hek s ILE 81 Cb -0.15 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 3hek s ILE 81 CO -0.03 -0.68 0.92 -2.16 0.00 0.00 0.00 174.94 172.99 3hek s PRO 82 N 1.28 4.60 -0.38 2.79 0.04 -1.24 -1.55 135.00 140.54 3hek s PRO 82 Ca 0.11 1.34 0.02 0.00 0.04 0.00 0.00 61.00 62.52 3hek s PRO 82 Cb -0.19 -3.41 0.11 0.00 0.04 0.00 0.00 34.50 31.05 3hek s PRO 82 CO -0.18 0.12 0.13 1.21 0.04 0.00 0.00 177.00 178.32 3hek s ASN 83 N 0.42 4.30 0.35 6.66 3.84 0.03 -2.21 114.94 128.33 3hek s ASN 83 Ca 0.47 -2.21 0.04 0.00 0.21 0.00 0.00 52.86 51.36 3hek s ASN 83 Cb -0.22 -1.31 0.66 0.00 -0.55 0.00 0.00 41.25 39.84 3hek s ASN 83 CO 0.27 -0.35 1.95 0.11 -2.79 0.00 0.00 177.10 176.30 3hek h LYS 84 N 7.43 0.63 -0.63 0.43 1.57 -1.82 0.23 116.57 124.41 3hek h LYS 84 Ca -0.07 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3hek h LYS 84 Cb 0.98 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 3hek h LYS 84 CO 0.53 0.52 0.27 0.37 -0.57 0.00 0.00 179.45 180.56 3hek h GLN 85 N 0.63 0.92 -0.00 3.15 4.15 -1.94 -2.69 115.11 119.33 3hek h GLN 85 Ca 0.16 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3hek h GLN 85 Cb 0.12 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.65 3hek h GLN 85 CO -0.02 0.76 -0.47 -0.25 -1.93 0.00 0.00 178.83 176.93 3hek n ASP 86 N -4.46 0.76 -3.71 -0.69 10.43 -0.99 -4.95 116.55 112.94 3hek n ASP 86 Ca 0.04 -0.56 -0.25 0.00 2.57 0.00 0.00 54.79 56.59 3hek n ASP 86 Cb 0.15 0.29 0.06 0.00 1.84 0.00 0.00 41.12 43.46 3hek n ASP 86 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3hek n ARG 87 N -1.19 -6.79 -4.94 -1.24 0.63 0.75 -4.89 116.66 98.99 3hek n ARG 87 Ca 0.08 0.73 -0.31 0.00 -0.92 0.00 0.00 57.85 57.43 3hek n ARG 87 Cb 0.34 -5.70 -0.14 0.00 0.45 0.00 0.00 32.46 27.41 3hek n ARG 87 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3hek s THR 88 N -3.34 2.32 -0.17 5.15 -4.23 -0.89 -1.80 115.64 112.69 3hek s THR 88 Ca 0.52 -1.24 -0.02 0.00 -1.18 0.00 0.00 61.69 59.77 3hek s THR 88 Cb -0.25 -1.90 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 3hek s THR 88 CO 0.77 0.42 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.96 3hek s LEU 89 N -1.12 2.79 -0.13 4.79 2.96 -0.30 -0.79 118.68 126.87 3hek s LEU 89 Ca 0.12 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 3hek s LEU 89 Cb -0.10 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3hek s LEU 89 CO 0.02 0.09 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.18 3hek s THR 90 N 0.83 3.62 -0.25 3.68 2.01 -0.59 -0.32 115.64 124.62 3hek s THR 90 Ca -0.03 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 3hek s THR 90 Cb -0.15 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.83 3hek s THR 90 CO 0.01 0.52 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.78 3hek s ILE 91 N 0.14 2.98 -0.09 1.82 1.09 0.17 -1.07 121.20 126.25 3hek s ILE 91 Ca -0.03 -0.96 0.04 0.00 -1.10 0.00 0.00 60.65 58.59 3hek s ILE 91 Cb -0.14 -2.50 -0.01 0.00 -1.06 0.00 0.00 42.46 38.75 3hek s ILE 91 CO 0.03 0.21 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.19 3hek s VAL 92 N 1.35 2.42 0.17 2.92 1.01 -0.22 -0.20 120.40 127.83 3hek s VAL 92 Ca 0.01 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.13 3hek s VAL 92 Cb -0.16 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3hek s VAL 92 CO -0.04 0.56 -0.12 1.51 0.00 0.00 0.00 175.10 177.01 3hek s ASP 93 N 0.06 2.07 -0.58 3.32 1.47 -0.14 -0.24 116.67 122.62 3hek s ASP 93 Ca -0.08 -1.01 0.00 0.00 1.18 0.00 0.00 52.55 52.64 3hek s ASP 93 Cb -0.15 -0.06 0.52 0.00 -0.34 0.00 0.00 42.92 42.89 3hek s ASP 93 CO 0.05 -0.27 1.96 0.35 0.68 0.00 0.00 175.17 177.94 3hek n THR 94 N -0.23 3.44 -0.15 2.11 -2.24 -1.10 -2.14 114.28 113.97 3hek n THR 94 Ca -0.10 -2.66 0.00 0.00 -2.27 0.00 0.00 64.05 59.03 3hek n THR 94 Cb 0.60 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3hek n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hek n GLY 95 N -0.99 -1.78 0.23 3.38 0.00 -1.26 -4.67 105.19 100.11 3hek n GLY 95 Ca 0.61 -1.48 0.14 0.00 0.00 0.00 0.00 46.02 45.28 3hek n GLY 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hek h ILE 96 N -0.58 0.00 -0.44 -0.61 2.10 -1.72 -3.10 117.51 113.16 3hek h ILE 96 Ca 0.00 -0.84 0.04 0.00 1.08 0.00 0.00 64.86 65.14 3hek h ILE 96 Cb 0.00 1.84 -0.01 0.00 -1.09 0.00 0.00 36.82 37.56 3hek h ILE 96 CO 0.00 0.00 -0.06 0.61 -1.08 0.00 0.00 178.15 177.62 3hek n GLY 97 N 0.79 -2.13 3.07 8.18 0.00 -1.26 -4.31 105.19 109.53 3hek n GLY 97 Ca 0.03 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.39 3hek n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hek s MET 98 N -0.83 1.08 0.91 1.61 1.00 -1.26 -4.81 119.30 117.00 3hek s MET 98 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 55.69 55.14 3hek s MET 98 Cb 0.00 -1.02 0.14 0.00 0.00 0.00 0.00 34.83 33.95 3hek s MET 98 CO 0.00 0.23 1.13 0.95 0.00 0.00 0.00 175.02 177.33 3hek s THR 99 N -0.14 2.10 0.24 2.05 -4.23 -1.26 -3.98 115.64 110.42 3hek s THR 99 Ca 0.02 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.50 3hek s THR 99 Cb -0.06 -2.75 0.21 0.00 1.34 0.00 0.00 72.50 71.23 3hek s THR 99 CO 0.00 -0.04 1.85 0.50 -0.54 0.00 0.00 174.62 176.39 3hek h LYS 100 N -1.50 0.95 -0.32 3.99 3.64 -1.98 -0.03 116.57 121.31 3hek h LYS 100 Ca -0.51 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 58.71 3hek h LYS 100 Cb 1.33 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3hek h LYS 100 CO 0.61 0.63 -0.23 0.00 -2.27 0.00 0.00 179.45 178.19 3hek h ALA 101 N 1.40 0.46 -0.81 5.00 0.00 -1.99 -1.58 119.26 121.74 3hek h ALA 101 Ca 0.37 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3hek h ALA 101 Cb 0.15 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 3hek h ALA 101 CO -0.17 0.43 0.44 -0.44 0.00 0.00 0.00 179.25 179.51 3hek h ASP 102 N 0.48 0.60 0.06 0.00 3.32 -1.77 0.18 116.42 119.29 3hek h ASP 102 Ca 0.06 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hek h ASP 102 Cb 0.78 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3hek h ASP 102 CO 0.06 0.32 -0.03 0.25 -1.72 0.00 0.00 179.24 178.12 3hek h LEU 103 N 0.71 -0.07 -0.69 1.55 5.85 -0.80 0.10 115.31 121.97 3hek h LEU 103 Ca 0.40 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 3hek h LEU 103 Cb 0.43 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3hek h LEU 103 CO -0.28 0.17 0.21 0.40 -0.34 0.00 0.00 178.44 178.61 3hek h ILE 104 N -0.32 1.26 -0.01 4.05 2.04 -0.93 -1.20 117.51 122.40 3hek h ILE 104 Ca -0.01 -0.88 -0.21 0.00 1.00 0.00 0.00 64.86 64.76 3hek h ILE 104 Cb 0.28 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3hek h ILE 104 CO 0.01 0.34 -0.89 0.78 0.00 0.00 0.00 178.15 178.40 3hek h ASN 105 N 1.01 0.47 0.35 1.72 2.35 -0.56 -3.18 115.58 117.74 3hek h ASN 105 Ca 0.22 -0.36 -0.32 0.00 -0.55 0.00 0.00 56.30 55.28 3hek h ASN 105 Cb 0.30 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3hek h ASN 105 CO -0.01 1.15 -1.64 0.78 -1.65 0.00 0.00 177.43 176.07 3hek h ASN 106 N 0.21 0.45 -1.54 5.81 2.35 -0.76 -3.34 115.58 118.76 3hek h ASN 106 Ca -0.06 -0.66 -0.67 0.00 -0.55 0.00 0.00 56.30 54.36 3hek h ASN 106 Cb 1.51 -0.15 -0.35 0.00 0.05 0.00 0.00 38.32 39.39 3hek h ASN 106 CO 0.15 1.56 0.17 0.18 -1.65 0.00 0.00 177.43 177.83 3hek n LEU 107 N -3.48 6.23 0.00 1.61 4.77 -0.46 -4.83 117.00 120.84 3hek n LEU 107 Ca -0.20 -4.89 0.00 0.00 -0.03 0.00 0.00 56.01 50.89 3hek n LEU 107 Cb 1.05 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3hek n LEU 107 CO 0.50 1.94 0.00 0.61 -1.33 0.00 0.00 177.39 179.11 3hek n GLY 108 N -0.59 0.63 0.03 -0.72 0.00 -1.25 -4.93 105.19 98.35 3hek n GLY 108 Ca 0.49 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.62 3hek n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hek n THR 109 N 0.00 0.13 -4.72 2.61 -2.24 -1.20 0.06 114.28 108.92 3hek n THR 109 Ca 0.00 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.21 3hek n THR 109 Cb 0.00 0.28 -0.17 0.00 -2.10 0.00 0.00 70.33 68.35 3hek n THR 109 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hek s ILE 110 N -3.23 1.97 -0.05 2.28 1.01 -1.25 -4.57 121.20 117.36 3hek s ILE 110 Ca 0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 3hek s ILE 110 Cb 0.14 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3hek s ILE 110 CO 0.83 0.53 0.10 0.00 0.00 0.00 0.00 174.94 176.40 3hek s ALA 111 N 0.77 3.67 0.35 9.38 0.00 -1.26 -4.98 121.76 129.70 3hek s ALA 111 Ca -0.09 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.17 3hek s ALA 111 Cb -0.16 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3hek s ALA 111 CO -0.00 0.66 0.39 0.21 0.00 0.00 0.00 175.76 177.02 3hek s LYS 112 N -1.41 2.84 0.55 0.00 2.36 -1.26 -4.99 119.74 117.82 3hek s LYS 112 Ca 0.20 -1.23 0.24 0.00 -2.55 0.00 0.00 55.97 52.62 3hek s LYS 112 Cb -0.12 -2.60 1.45 0.00 -1.05 0.00 0.00 37.83 35.51 3hek s LYS 112 CO 0.10 0.01 2.07 0.66 1.55 0.00 0.00 175.35 179.74 3hek h SER 113 N 1.05 0.00 0.00 1.43 4.64 -1.99 -1.43 113.55 117.24 3hek h SER 113 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3hek h SER 113 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3hek h SER 113 CO 0.55 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 3hek n GLY 114 N -1.54 -0.62 0.09 -0.77 0.00 -1.26 -3.38 105.19 97.71 3hek n GLY 114 Ca 0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 3hek n GLY 114 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hek n THR 115 N -0.78 1.47 0.15 2.61 -1.04 -0.54 -3.66 114.28 112.50 3hek n THR 115 Ca 0.08 0.10 0.06 0.00 -2.04 0.00 0.00 64.05 62.25 3hek n THR 115 Cb 0.04 -2.26 0.54 0.00 -1.82 0.00 0.00 70.33 66.83 3hek n THR 115 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3hek h LYS 116 N -1.00 0.22 0.20 -2.82 3.64 -1.72 0.71 116.57 115.80 3hek h LYS 116 Ca -0.14 -0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 58.89 3hek h LYS 116 Cb 0.88 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.67 3hek h LYS 116 CO -0.08 0.16 -1.61 0.00 -2.27 0.00 0.00 179.45 175.64 3hek h ALA 117 N 1.88 0.05 0.26 5.00 0.00 -1.79 -2.28 119.26 122.38 3hek h ALA 117 Ca 0.06 -1.03 -0.01 0.00 0.00 0.00 0.00 54.91 53.92 3hek h ALA 117 Cb -0.01 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hek h ALA 117 CO -0.01 0.88 -0.13 0.35 0.00 0.00 0.00 179.25 180.34 3hek h PHE 118 N 0.06 -0.32 -0.12 0.00 3.57 -1.52 0.41 116.94 119.03 3hek h PHE 118 Ca -0.31 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.22 3hek h PHE 118 Cb 2.08 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 40.92 3hek h PHE 118 CO 0.12 -0.00 0.16 1.98 -2.23 0.00 0.00 178.31 178.33 3hek h MET 119 N -0.67 0.00 0.00 1.11 4.05 0.29 0.86 114.93 120.57 3hek h MET 119 Ca -0.04 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3hek h MET 119 Cb 0.47 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.27 3hek h MET 119 CO 0.06 0.00 -1.00 0.93 0.23 0.00 0.00 176.91 177.13 3hek h GLU 120 N 0.00 0.00 0.00 0.39 5.08 -1.14 -2.38 114.58 116.53 3hek h GLU 120 Ca 0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3hek h GLU 120 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3hek h GLU 120 CO -0.00 0.01 -0.48 0.00 -1.00 0.00 0.00 179.01 177.54 3hek h ALA 121 N 1.98 0.77 0.14 3.43 0.00 0.51 0.51 119.26 126.60 3hek h ALA 121 Ca -0.01 -0.43 -0.34 0.00 0.00 0.00 0.00 54.91 54.13 3hek h ALA 121 Cb 1.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3hek h ALA 121 CO 0.00 0.60 -1.76 -0.07 0.00 0.00 0.00 179.25 178.02 3hek h LEU 122 N 0.00 0.47 -1.73 0.00 3.38 -0.75 1.77 115.31 118.45 3hek h LEU 122 Ca -0.00 -0.78 -0.00 0.00 0.09 0.00 0.00 57.88 57.18 3hek h LEU 122 Cb 1.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3hek h LEU 122 CO 0.06 1.67 0.16 1.56 0.09 0.00 0.00 178.44 181.98 3hek h GLN 123 N 0.08 0.34 0.00 1.13 4.20 -1.47 0.88 115.11 120.27 3hek h GLN 123 Ca -0.34 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.20 3hek h GLN 123 Cb 2.06 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.74 3hek h GLN 123 CO 0.15 0.23 -0.70 0.00 -0.67 0.00 0.00 178.83 177.83 3hek h ALA 124 N 1.83 0.65 0.00 3.87 0.00 -0.89 -3.48 119.26 121.24 3hek h ALA 124 Ca 0.09 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hek h ALA 124 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hek h ALA 124 CO -0.02 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.52 3hek n GLY 125 N 0.93 1.22 0.00 0.00 0.00 0.11 -5.04 105.19 102.41 3hek n GLY 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hek n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hek n ALA 126 N -0.13 0.00 -2.61 4.61 0.00 0.56 -4.93 120.51 118.01 3hek n ALA 126 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3hek n ALA 126 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3hek n ALA 126 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hek s ASP 127 N -1.30 6.26 0.61 0.00 3.68 -1.26 -4.86 116.67 119.80 3hek s ASP 127 Ca 0.00 0.29 0.28 0.00 2.13 0.00 0.00 52.55 55.25 3hek s ASP 127 Cb 0.00 -2.20 1.54 0.00 -1.45 0.00 0.00 42.92 40.80 3hek s ASP 127 CO 0.00 -0.16 1.85 -0.29 0.13 0.00 0.00 175.17 176.71 3hek h ILE 128 N 5.33 0.00 0.00 4.11 6.09 -1.96 -1.61 117.51 129.47 3hek h ILE 128 Ca -0.32 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.16 3hek h ILE 128 Cb 1.16 0.63 -0.00 0.00 0.47 0.00 0.00 36.82 39.08 3hek h ILE 128 CO 0.65 0.00 -0.04 0.28 -3.07 0.00 0.00 178.15 175.96 3hek h SER 129 N 0.00 0.00 0.16 2.19 0.02 -1.92 -2.40 113.55 111.61 3hek h SER 129 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hek h SER 129 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3hek h SER 129 CO 0.00 0.04 0.00 0.23 -1.14 0.00 0.00 176.83 175.96 3hek n MET 130 N -4.13 0.65 -0.27 3.45 2.81 -0.61 -4.11 117.12 114.92 3hek n MET 130 Ca -0.03 0.02 0.09 0.00 -1.81 0.00 0.00 57.70 55.97 3hek n MET 130 Cb 0.13 -1.50 0.34 0.00 -0.71 0.00 0.00 33.22 31.48 3hek n MET 130 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3hek h ILE 131 N 0.00 0.92 -0.62 2.02 2.10 -1.66 -2.11 117.51 118.15 3hek h ILE 131 Ca 0.00 -0.27 -0.09 0.00 1.08 0.00 0.00 64.86 65.58 3hek h ILE 131 Cb 0.08 0.06 -0.02 0.00 -1.09 0.00 0.00 36.82 35.85 3hek h ILE 131 CO 0.00 0.14 0.04 1.23 -1.08 0.00 0.00 178.15 178.48 3hek h GLY 132 N 0.78 1.15 1.11 8.18 0.00 -1.85 -2.49 103.07 109.95 3hek h GLY 132 Ca 0.42 -0.81 0.09 0.00 0.00 0.00 0.00 47.33 47.03 3hek h GLY 132 CO -0.18 0.75 0.38 1.46 0.00 0.00 0.00 176.54 178.95 3hek h GLN 133 N 0.98 0.37 -0.13 4.80 4.20 -1.68 0.29 115.11 123.94 3hek h GLN 133 Ca 0.18 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3hek h GLN 133 Cb 0.51 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3hek h GLN 133 CO 0.02 0.25 0.00 1.19 -0.67 0.00 0.00 178.83 179.62 3hek n PHE 134 N -4.47 0.17 -2.69 2.96 3.01 -0.95 -4.91 117.46 110.58 3hek n PHE 134 Ca 0.09 -0.08 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 3hek n PHE 134 Cb 0.35 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.84 3hek n PHE 134 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hek n GLY 135 N 0.92 -0.23 0.94 1.37 0.00 0.09 -4.66 105.19 103.64 3hek n GLY 135 Ca 0.12 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.06 3hek n GLY 135 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hek n VAL 136 N -4.15 1.04 -0.12 1.61 0.24 -1.18 -4.92 118.33 110.85 3hek n VAL 136 Ca -0.11 -1.93 0.08 0.00 -2.04 0.00 0.00 64.34 60.35 3hek n VAL 136 Cb 0.60 0.36 0.42 0.00 -1.47 0.00 0.00 33.84 33.75 3hek n VAL 136 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3hek h GLY 137 N 0.84 0.77 0.04 7.63 0.00 -1.82 -2.19 103.07 108.34 3hek h GLY 137 Ca -0.10 -0.24 0.25 0.00 0.00 0.00 0.00 47.33 47.23 3hek h GLY 137 CO 0.04 0.18 0.66 -2.75 0.00 0.00 0.00 176.54 174.67 3hek h PHE 138 N 0.60 0.50 0.00 5.60 3.57 -1.91 -0.61 116.94 124.70 3hek h PHE 138 Ca 0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3hek h PHE 138 Cb 0.32 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3hek h PHE 138 CO -0.00 0.08 0.00 0.66 -2.23 0.00 0.00 178.31 176.82 3hek n TYR 139 N -4.51 0.00 0.30 0.41 4.01 -0.82 -1.72 117.16 114.82 3hek n TYR 139 Ca 0.22 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 58.12 3hek n TYR 139 Cb 0.85 -0.41 0.71 0.00 -0.31 0.00 0.00 39.34 40.18 3hek n TYR 139 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3hek h SER 140 N 0.00 0.00 -0.99 7.72 4.64 -1.28 -2.55 113.55 121.09 3hek h SER 140 Ca 0.00 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.57 3hek h SER 140 Cb 0.32 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.33 3hek h SER 140 CO 0.00 0.00 0.66 0.00 -0.87 0.00 0.00 176.83 176.62 3hek h ALA 141 N 2.08 2.33 -0.02 5.18 0.00 -1.52 0.11 119.26 127.41 3hek h ALA 141 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hek h ALA 141 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hek h ALA 141 CO 0.00 -0.67 0.00 0.66 0.00 0.00 0.00 179.25 179.24 3hek n TYR 142 N -4.52 0.03 0.05 0.00 4.01 -0.96 -0.82 117.16 114.95 3hek n TYR 142 Ca 0.23 -0.02 -0.04 0.00 -0.16 0.00 0.00 57.90 57.91 3hek n TYR 142 Cb 0.84 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 40.06 3hek n TYR 142 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hek h LEU 143 N 0.41 0.39 0.00 7.72 3.38 -1.17 -3.37 115.31 122.67 3hek h LEU 143 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3hek h LEU 143 Cb 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hek h LEU 143 CO 0.00 0.73 -0.82 1.33 0.09 0.00 0.00 178.44 179.77 3hek n VAL 144 N -4.05 0.00 -4.50 1.22 0.24 -0.82 -4.99 118.33 105.42 3hek n VAL 144 Ca -0.01 -0.14 -0.34 0.00 -2.04 0.00 0.00 64.34 61.81 3hek n VAL 144 Cb 0.47 0.60 -0.10 0.00 -1.47 0.00 0.00 33.84 33.33 3hek n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hek s ALA 145 N -1.86 3.13 -0.19 2.33 0.00 -0.00 0.22 121.76 125.39 3hek s ALA 145 Ca -0.00 -0.85 0.20 0.00 0.00 0.00 0.00 51.96 51.30 3hek s ALA 145 Cb 0.01 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 3hek s ALA 145 CO 0.05 0.58 1.01 1.05 0.00 0.00 0.00 175.76 178.45 3hek h GLU 146 N 5.21 0.00 -3.26 0.00 4.11 -1.19 -3.40 114.58 116.05 3hek h GLU 146 Ca -0.50 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.77 3hek h GLU 146 Cb 1.18 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.18 3hek h GLU 146 CO 0.53 0.15 -0.46 0.21 0.07 0.00 0.00 179.01 179.52 3hek s LYS 147 N -3.14 0.31 -0.08 1.06 2.20 -1.19 -4.54 119.74 114.35 3hek s LYS 147 Ca -0.01 0.16 0.04 0.00 -0.36 0.00 0.00 55.97 55.79 3hek s LYS 147 Cb 0.09 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 3hek s LYS 147 CO 0.79 -0.05 -0.20 0.08 -0.36 0.00 0.00 175.35 175.61 3hek s VAL 148 N -0.21 1.76 -0.12 4.02 1.01 -0.59 -1.37 120.40 124.90 3hek s VAL 148 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3hek s VAL 148 Cb -0.03 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3hek s VAL 148 CO 0.01 0.49 -0.16 -0.89 0.00 0.00 0.00 175.10 174.55 3hek s THR 149 N 0.39 2.73 -0.19 3.92 2.01 -0.54 -1.74 115.64 122.22 3hek s THR 149 Ca -0.16 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.05 3hek s THR 149 Cb -0.17 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.22 3hek s THR 149 CO 0.07 0.53 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.72 3hek s VAL 150 N 0.41 2.75 -0.18 3.82 1.01 0.99 0.09 120.40 129.29 3hek s VAL 150 Ca -0.12 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 3hek s VAL 150 Cb -0.16 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3hek s VAL 150 CO 0.06 0.48 0.02 -0.63 0.00 0.00 0.00 175.10 175.03 3hek s ILE 151 N 1.30 4.36 0.00 2.22 -1.09 0.53 -0.30 121.20 128.21 3hek s ILE 151 Ca 0.04 -0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.24 3hek s ILE 151 Cb -0.14 -2.95 -0.00 0.00 -1.58 0.00 0.00 42.46 37.78 3hek s ILE 151 CO -0.07 0.46 0.06 0.28 -1.23 0.00 0.00 174.94 174.44 3hek s THR 152 N 0.53 0.07 -0.15 2.92 -1.32 -0.51 0.63 115.64 117.81 3hek s THR 152 Ca 0.01 -0.57 -0.04 0.00 -1.21 0.00 0.00 61.69 59.87 3hek s THR 152 Cb -0.13 -0.28 0.07 0.00 -1.51 0.00 0.00 72.50 70.65 3hek s THR 152 CO 0.02 -0.32 0.18 -0.75 -2.21 0.00 0.00 174.62 171.54 3hek s LYS 153 N -1.00 0.11 -0.02 7.08 2.47 0.53 -1.08 119.74 127.83 3hek s LYS 153 Ca -0.11 0.32 0.00 0.00 -1.56 0.00 0.00 55.97 54.63 3hek s LYS 153 Cb -0.06 -0.89 -0.04 0.00 -1.46 0.00 0.00 37.83 35.38 3hek s LYS 153 CO 0.00 -0.51 0.04 -1.58 0.16 0.00 0.00 175.35 173.46 3hek s HIS 154 N 2.29 3.18 0.36 4.03 5.65 -1.26 -0.67 115.29 128.88 3hek s HIS 154 Ca 0.04 0.16 -0.26 0.00 0.25 0.00 0.00 55.06 55.25 3hek s HIS 154 Cb -0.14 -1.72 -0.12 0.00 -1.18 0.00 0.00 32.58 29.42 3hek s HIS 154 CO -0.09 0.51 1.00 0.09 -0.65 0.00 0.00 174.74 175.59 3hek n ASN 155 N 1.42 1.24 -1.01 9.88 3.02 -1.26 -2.10 115.26 126.45 3hek n ASN 155 Ca -0.15 1.10 -0.13 0.00 -0.03 0.00 0.00 54.58 55.38 3hek n ASN 155 Cb 0.53 -1.32 -0.05 0.00 -0.61 0.00 0.00 39.78 38.33 3hek n ASN 155 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hek n ASP 156 N 0.87 -4.45 -3.94 6.41 8.00 -1.26 -4.97 116.55 117.21 3hek n ASP 156 Ca 0.09 0.27 -0.12 0.00 0.71 0.00 0.00 54.79 55.75 3hek n ASP 156 Cb 0.36 -3.12 -0.07 0.00 -0.02 0.00 0.00 41.12 38.27 3hek n ASP 156 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hek s ASP 157 N -2.82 0.24 0.70 -2.24 -1.08 -0.89 -5.17 116.67 105.40 3hek s ASP 157 Ca 0.00 -1.24 -0.10 0.00 -0.52 0.00 0.00 52.55 50.69 3hek s ASP 157 Cb 0.00 0.51 0.03 0.00 -1.46 0.00 0.00 42.92 42.00 3hek s ASP 157 CO 0.00 -1.04 1.06 -1.61 0.52 0.00 0.00 175.17 174.10 3hek s GLU 158 N -3.91 2.68 -0.06 4.34 0.41 -1.26 -4.61 118.70 116.28 3hek s GLU 158 Ca 0.31 0.24 -0.26 0.00 -0.41 0.00 0.00 54.97 54.86 3hek s GLU 158 Cb 0.03 -2.08 -0.03 0.00 -1.78 0.00 0.00 34.13 30.27 3hek s GLU 158 CO 0.13 -1.07 0.80 -1.14 -0.49 0.00 0.00 175.26 173.49 3hek s GLN 159 N -5.30 4.46 0.18 1.61 0.74 -1.26 -4.44 119.66 115.65 3hek s GLN 159 Ca 0.58 1.05 0.10 0.00 0.05 0.00 0.00 55.36 57.15 3hek s GLN 159 Cb -0.11 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 3hek s GLN 159 CO 0.49 -0.02 -0.19 0.71 -0.55 0.00 0.00 175.29 175.73 3hek s TYR 160 N 1.03 2.42 -0.12 1.67 2.02 -0.24 0.15 117.35 124.28 3hek s TYR 160 Ca 0.42 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.84 3hek s TYR 160 Cb -0.19 -1.20 0.01 0.00 -0.40 0.00 0.00 41.96 40.18 3hek s TYR 160 CO 0.20 0.49 -0.23 0.00 -1.57 0.00 0.00 175.55 174.45 3hek s ALA 161 N -1.64 2.19 -0.03 3.71 0.00 0.78 -1.42 121.76 125.34 3hek s ALA 161 Ca 0.22 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3hek s ALA 161 Cb -0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 3hek s ALA 161 CO 0.11 0.10 -0.05 -0.46 0.00 0.00 0.00 175.76 175.47 3hek s TRP 162 N 0.62 2.96 -0.18 0.00 -0.00 0.59 -1.55 118.94 121.38 3hek s TRP 162 Ca -0.12 0.03 -0.16 0.00 -0.00 0.00 0.00 56.10 55.85 3hek s TRP 162 Cb -0.17 -1.68 0.05 0.00 -0.00 0.00 0.00 33.47 31.68 3hek s TRP 162 CO 0.03 0.38 0.47 -2.00 -0.00 0.00 0.00 176.95 175.83 3hek s GLU 163 N -1.15 0.54 -0.11 5.86 2.12 -0.63 -0.01 118.70 125.32 3hek s GLU 163 Ca 0.15 0.68 -0.11 0.00 0.36 0.00 0.00 54.97 56.05 3hek s GLU 163 Cb -0.11 0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.54 3hek s GLU 163 CO 0.05 -0.08 0.32 0.45 -0.54 0.00 0.00 175.26 175.46 3hek s SER 164 N 0.40 -0.32 -0.16 -1.70 0.15 -0.71 -1.23 113.70 110.12 3hek s SER 164 Ca -0.01 0.60 0.16 0.00 0.70 0.00 0.00 55.95 57.39 3hek s SER 164 Cb -0.04 0.63 0.63 0.00 -1.71 0.00 0.00 66.02 65.53 3hek s SER 164 CO -0.01 -0.14 1.54 -1.20 1.20 0.00 0.00 173.24 174.63 3hek n SER 165 N 2.76 4.51 -3.01 5.45 7.64 -1.26 -1.54 113.62 128.17 3hek n SER 165 Ca -0.14 -2.77 -0.14 0.00 1.01 0.00 0.00 58.87 56.83 3hek n SER 165 Cb 0.58 -0.56 0.07 0.00 -1.01 0.00 0.00 64.21 63.29 3hek n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hek n ALA 166 N 0.25 -1.66 -0.53 -0.43 0.00 -1.26 -4.86 120.51 112.03 3hek n ALA 166 Ca 0.23 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.72 3hek n ALA 166 Cb 0.93 -2.13 0.30 0.00 0.00 0.00 0.00 19.45 18.56 3hek n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hek n GLY 167 N -1.12 2.86 0.00 0.00 0.00 -1.26 -4.89 105.19 100.79 3hek n GLY 167 Ca -0.24 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3hek n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hek n GLY 168 N 0.91 0.37 3.22 -0.02 0.00 -1.26 -5.07 105.19 103.34 3hek n GLY 168 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 3hek n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hek s SER 169 N -2.74 0.17 0.06 1.61 1.04 -1.26 -1.50 113.70 111.08 3hek s SER 169 Ca 0.00 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 55.56 3hek s SER 169 Cb 0.00 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 3hek s SER 169 CO 0.00 -0.76 0.01 0.72 0.98 0.00 0.00 173.24 174.18 3hek s PHE 170 N -3.93 0.47 0.09 5.02 -0.12 -0.19 -4.48 117.98 114.84 3hek s PHE 170 Ca 0.12 -1.00 0.07 0.00 -0.05 0.00 0.00 56.93 56.07 3hek s PHE 170 Cb 0.05 -0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.06 3hek s PHE 170 CO -0.05 -0.41 -0.10 0.95 -0.05 0.00 0.00 175.22 175.56 3hek s THR 171 N -3.91 3.36 -0.01 -4.49 -4.23 -0.36 -0.39 115.64 105.59 3hek s THR 171 Ca 0.07 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.39 3hek s THR 171 Cb 0.08 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 3hek s THR 171 CO -0.10 0.15 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.32 3hek s VAL 172 N -1.18 0.96 0.13 2.29 1.01 -0.07 -1.61 120.40 121.93 3hek s VAL 172 Ca 0.21 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 3hek s VAL 172 Cb -0.11 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.49 3hek s VAL 172 CO 0.13 0.28 0.40 0.00 0.00 0.00 0.00 175.10 175.90 3hek s ARG 173 N -0.18 1.08 0.01 2.72 1.70 -0.60 -1.51 118.95 122.17 3hek s ARG 173 Ca 0.03 -0.73 -0.30 0.00 -0.47 0.00 0.00 55.73 54.26 3hek s ARG 173 Cb -0.06 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 3hek s ARG 173 CO -0.00 -0.42 1.29 0.95 -1.08 0.00 0.00 175.30 176.04 3hek s THR 174 N -3.81 3.91 0.28 4.99 -4.23 -1.26 -0.16 115.64 115.36 3hek s THR 174 Ca 0.03 1.31 -0.29 0.00 -1.18 0.00 0.00 61.69 61.57 3hek s THR 174 Cb 0.02 -3.84 -0.09 0.00 1.34 0.00 0.00 72.50 69.92 3hek s THR 174 CO -0.11 0.03 1.01 -0.62 -0.54 0.00 0.00 174.62 174.38 3hek s ASP 175 N 1.50 7.38 -0.01 3.99 2.15 0.12 -4.78 116.67 127.02 3hek s ASP 175 Ca 0.60 2.05 0.06 0.00 0.43 0.00 0.00 52.55 55.70 3hek s ASP 175 Cb -0.29 -2.61 0.17 0.00 -0.30 0.00 0.00 42.92 39.89 3hek s ASP 175 CO 0.26 -0.04 1.14 0.35 -0.17 0.00 0.00 175.17 176.70 3hek n THR 176 N 1.09 1.09 -0.41 1.71 -2.24 -1.26 -4.80 114.28 109.45 3hek n THR 176 Ca -0.00 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 3hek n THR 176 Cb 0.47 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 3hek n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hek n GLY 177 N -0.08 -1.32 3.68 3.38 0.00 -1.26 -4.95 105.19 104.64 3hek n GLY 177 Ca 0.07 -1.59 -0.45 0.00 0.00 0.00 0.00 46.02 44.05 3hek n GLY 177 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hek n GLU 178 N -0.55 2.22 -2.17 1.61 -0.58 -1.26 -4.90 120.64 115.01 3hek n GLU 178 Ca 0.00 0.80 -0.42 0.00 -0.42 0.00 0.00 57.16 57.12 3hek n GLU 178 Cb 0.00 -2.53 -0.03 0.00 -0.57 0.00 0.00 31.44 28.31 3hek n GLU 178 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3hek s PRO 179 N 0.29 4.35 0.02 3.49 0.02 -1.26 -5.03 135.00 136.88 3hek s PRO 179 Ca 0.73 2.10 -0.04 0.00 0.02 0.00 0.00 61.00 63.81 3hek s PRO 179 Cb -0.63 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 30.65 3hek s PRO 179 CO 0.43 -0.33 0.24 -1.64 -0.33 0.00 0.00 177.00 175.37 3hek s MET 180 N 0.16 3.51 0.00 5.54 -1.94 -1.26 -5.03 119.30 120.28 3hek s MET 180 Ca 0.59 -0.21 -0.25 0.00 -1.71 0.00 0.00 55.69 54.12 3hek s MET 180 Cb -0.37 -3.06 -0.15 0.00 2.01 0.00 0.00 34.83 33.25 3hek s MET 180 CO 0.37 0.64 1.13 0.78 -0.01 0.00 0.00 175.02 177.93 3hek h GLY 181 N 3.75 -0.60 -4.60 -0.03 0.00 -1.96 -3.48 103.07 96.15 3hek h GLY 181 Ca -0.49 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.09 3hek h GLY 181 CO 0.69 -0.22 0.37 -1.60 0.00 0.00 0.00 176.54 175.78 3hek s ARG 182 N -4.51 0.74 0.00 4.80 3.52 -1.25 -4.91 118.95 117.33 3hek s ARG 182 Ca -0.14 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.86 3hek s ARG 182 Cb 0.02 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.76 3hek s ARG 182 CO 0.48 -0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.19 3hek n GLY 183 N 1.37 0.60 2.91 8.12 0.00 0.16 -4.26 105.19 114.08 3hek n GLY 183 Ca -0.14 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.61 3hek n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hek s THR 184 N -0.80 0.18 -0.14 2.61 2.01 -0.91 -0.35 115.64 118.24 3hek s THR 184 Ca 0.00 -0.09 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 3hek s THR 184 Cb 0.00 -0.16 0.03 0.00 0.01 0.00 0.00 72.50 72.38 3hek s THR 184 CO 0.00 0.05 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.14 3hek s LYS 185 N -0.05 1.76 -0.26 4.92 2.20 0.21 -0.97 119.74 127.55 3hek s LYS 185 Ca 0.01 -0.44 -0.08 0.00 -0.36 0.00 0.00 55.97 55.10 3hek s LYS 185 Cb -0.01 -1.88 -0.02 0.00 -1.51 0.00 0.00 37.83 34.40 3hek s LYS 185 CO -0.00 -0.31 0.09 0.08 -0.36 0.00 0.00 175.35 174.85 3hek s VAL 186 N 1.61 4.38 -0.34 4.02 1.01 0.72 -0.35 120.40 131.45 3hek s VAL 186 Ca 0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 3hek s VAL 186 Cb -0.13 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.18 3hek s VAL 186 CO -0.09 0.28 0.14 -0.63 0.00 0.00 0.00 175.10 174.81 3hek s ILE 187 N 1.62 4.20 -0.37 2.22 1.01 0.11 -0.66 121.20 129.33 3hek s ILE 187 Ca 0.06 -0.84 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 3hek s ILE 187 Cb -0.15 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3hek s ILE 187 CO 0.04 -0.10 0.53 -0.76 0.00 0.00 0.00 174.94 174.65 3hek s LEU 188 N 1.50 4.41 -0.59 2.97 1.43 0.57 -1.47 118.68 127.51 3hek s LEU 188 Ca 0.01 -0.13 -0.23 0.00 -1.03 0.00 0.00 54.13 52.76 3hek s LEU 188 Cb -0.18 -2.60 0.06 0.00 0.03 0.00 0.00 46.19 43.49 3hek s LEU 188 CO 0.04 -0.54 0.89 -1.00 0.23 0.00 0.00 176.35 175.98 3hek s HIS 189 N 2.45 2.79 0.39 0.29 3.76 -0.47 -1.15 115.29 123.35 3hek s HIS 189 Ca 0.19 -0.34 -0.24 0.00 -0.15 0.00 0.00 55.06 54.52 3hek s HIS 189 Cb -0.15 -4.08 -0.09 0.00 1.11 0.00 0.00 32.58 29.37 3hek s HIS 189 CO 0.14 -1.42 1.03 -0.51 -0.85 0.00 0.00 174.74 173.13 3hek s LEU 190 N 3.75 4.15 0.65 0.89 1.43 -0.74 -0.74 118.68 128.08 3hek s LEU 190 Ca 0.24 1.99 -0.18 0.00 -1.03 0.00 0.00 54.13 55.15 3hek s LEU 190 Cb -0.16 -4.19 -0.01 0.00 0.03 0.00 0.00 46.19 41.87 3hek s LEU 190 CO 0.14 -0.43 1.26 -0.54 0.23 0.00 0.00 176.35 177.02 3hek s LYS 191 N -2.48 2.55 0.34 1.70 1.02 0.13 -4.63 119.74 118.37 3hek s LYS 191 Ca 0.57 1.97 0.05 0.00 0.02 0.00 0.00 55.97 58.57 3hek s LYS 191 Cb -0.21 -1.86 0.68 0.00 -0.52 0.00 0.00 37.83 35.93 3hek s LYS 191 CO 0.26 -1.57 1.92 1.49 -0.92 0.00 0.00 175.35 176.53 3hek h GLU 192 N 0.45 0.82 -0.67 1.68 4.81 -1.95 -1.20 114.58 118.52 3hek h GLU 192 Ca -0.50 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3hek h GLU 192 Cb 1.32 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3hek h GLU 192 CO 0.53 0.54 0.00 -0.40 -0.73 0.00 0.00 179.01 178.95 3hek n ASP 193 N -4.51 4.68 -0.61 1.04 5.75 -1.26 -3.88 116.55 117.77 3hek n ASP 193 Ca 0.14 -2.71 0.06 0.00 -0.01 0.00 0.00 54.79 52.26 3hek n ASP 193 Cb 0.28 -0.64 0.12 0.00 -1.03 0.00 0.00 41.12 39.85 3hek n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hek n GLN 194 N 0.51 0.97 0.00 0.11 1.13 -0.45 -4.80 117.38 114.84 3hek n GLN 194 Ca 0.22 -2.52 0.12 0.00 -1.94 0.00 0.00 57.00 52.88 3hek n GLN 194 Cb 0.98 -1.11 0.60 0.00 0.11 0.00 0.00 30.24 30.82 3hek n GLN 194 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3hek n THR 195 N -0.74 0.24 0.30 5.09 -2.24 -1.24 -3.21 114.28 112.48 3hek n THR 195 Ca 0.13 0.06 0.17 0.00 -2.27 0.00 0.00 64.05 62.14 3hek n THR 195 Cb 0.77 -0.67 0.93 0.00 -2.10 0.00 0.00 70.33 69.25 3hek n THR 195 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hek h GLU 196 N 0.00 0.00 -0.02 -0.78 4.11 -1.92 -1.33 114.58 114.65 3hek h GLU 196 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hek h GLU 196 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hek h GLU 196 CO 0.00 0.04 0.00 0.66 0.07 0.00 0.00 179.01 179.78 3hek n TYR 197 N -3.42 0.03 0.99 2.06 4.01 -1.20 -1.84 117.16 117.79 3hek n TYR 197 Ca -0.02 -0.02 0.11 0.00 -0.16 0.00 0.00 57.90 57.82 3hek n TYR 197 Cb 0.16 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.33 3hek n TYR 197 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3hek n LEU 198 N -0.57 0.65 -4.75 7.72 4.77 -0.50 -4.81 117.00 119.51 3hek n LEU 198 Ca 0.09 -0.14 -0.40 0.00 -0.03 0.00 0.00 56.01 55.53 3hek n LEU 198 Cb 0.07 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 3hek n LEU 198 CO 0.07 0.16 0.44 -1.61 -1.33 0.00 0.00 177.39 175.12 3hek s GLU 199 N -3.00 4.47 0.15 3.23 2.02 -0.77 -4.81 118.70 119.99 3hek s GLU 199 Ca 0.10 1.02 -0.19 0.00 0.02 0.00 0.00 54.97 55.92 3hek s GLU 199 Cb 0.17 -3.36 0.05 0.00 0.10 0.00 0.00 34.13 31.09 3hek s GLU 199 CO 0.75 0.29 1.67 1.49 0.02 0.00 0.00 175.26 179.48 3hek h GLU 200 N 5.70 -0.05 -0.48 1.61 4.81 -1.92 -1.66 114.58 122.58 3hek h GLU 200 Ca -0.44 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 3hek h GLU 200 Cb 1.20 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 3hek h GLU 200 CO 0.71 -0.04 0.22 -0.09 -0.73 0.00 0.00 179.01 179.09 3hek h ARG 201 N -0.05 0.67 -0.15 1.92 2.43 -1.94 -1.56 114.38 115.70 3hek h ARG 201 Ca 0.16 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3hek h ARG 201 Cb 0.29 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3hek h ARG 201 CO -0.35 0.53 -0.13 -0.09 -1.51 0.00 0.00 179.97 178.42 3hek h ARG 202 N 0.67 0.35 -0.39 0.20 9.65 -1.69 -2.67 114.38 120.49 3hek h ARG 202 Ca 0.17 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3hek h ARG 202 Cb 0.08 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 3hek h ARG 202 CO -0.02 0.72 0.19 0.82 2.80 0.00 0.00 179.97 184.47 3hek h ILE 203 N -0.01 1.17 -0.53 1.20 2.04 -1.01 -2.11 117.51 118.27 3hek h ILE 203 Ca 0.03 -0.50 0.08 0.00 1.00 0.00 0.00 64.86 65.48 3hek h ILE 203 Cb 0.64 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3hek h ILE 203 CO 0.03 0.19 0.16 0.11 0.00 0.00 0.00 178.15 178.64 3hek h LYS 204 N 0.50 0.30 -0.20 2.37 1.57 -1.30 -1.91 116.57 117.91 3hek h LYS 204 Ca 0.14 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 3hek h LYS 204 Cb 0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3hek h LYS 204 CO -0.02 0.20 -0.51 1.05 -0.57 0.00 0.00 179.45 179.60 3hek h GLU 205 N 0.31 0.57 -0.33 3.15 4.11 -1.21 -0.65 114.58 120.53 3hek h GLU 205 Ca 0.27 -0.34 -0.03 0.00 0.07 0.00 0.00 59.36 59.33 3hek h GLU 205 Cb 0.34 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3hek h GLU 205 CO -0.30 0.94 0.09 0.82 0.07 0.00 0.00 179.01 180.63 3hek h ILE 206 N 0.44 1.21 -0.53 -1.06 2.04 -1.12 -0.16 117.51 118.34 3hek h ILE 206 Ca 0.02 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 3hek h ILE 206 Cb 1.05 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3hek h ILE 206 CO 0.10 0.24 0.09 0.58 0.00 0.00 0.00 178.15 179.16 3hek h VAL 207 N 0.37 1.25 -0.48 1.67 2.07 -1.25 -1.00 116.25 118.88 3hek h VAL 207 Ca 0.10 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 3hek h VAL 207 Cb 0.28 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3hek h VAL 207 CO -0.00 0.34 0.15 0.50 0.02 0.00 0.00 177.57 178.58 3hek h LYS 208 N 0.77 0.71 0.20 1.57 3.64 -1.00 -1.50 116.57 120.96 3hek h LYS 208 Ca 0.16 -0.12 -0.32 0.00 -1.27 0.00 0.00 60.65 59.10 3hek h LYS 208 Cb 0.40 -0.12 0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3hek h LYS 208 CO 0.01 0.62 -1.39 -0.22 -2.27 0.00 0.00 179.45 176.21 3hek h LYS 209 N 0.70 0.56 0.00 1.90 3.64 -0.68 -3.40 116.57 119.29 3hek h LYS 209 Ca 0.16 -0.87 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 3hek h LYS 209 Cb 0.22 0.31 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3hek h LYS 209 CO -0.01 1.41 -1.21 0.72 -2.27 0.00 0.00 179.45 178.09 3hek n HIS 210 N -3.73 0.00 -1.72 1.91 8.25 -0.41 -4.69 115.22 114.82 3hek n HIS 210 Ca -0.15 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.29 3hek n HIS 210 Cb 1.06 -0.14 0.16 0.00 1.12 0.00 0.00 29.99 32.19 3hek n HIS 210 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hek n SER 211 N -1.68 2.50 0.21 0.41 7.64 -0.57 -4.76 113.62 117.37 3hek n SER 211 Ca -0.01 -3.84 0.07 0.00 1.01 0.00 0.00 58.87 56.10 3hek n SER 211 Cb 0.17 -0.48 0.57 0.00 -1.01 0.00 0.00 64.21 63.47 3hek n SER 211 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 3hek h GLN 212 N 1.30 0.09 -0.52 1.43 -0.00 -1.77 -2.91 115.11 112.72 3hek h GLN 212 Ca 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 3hek h GLN 212 Cb 1.15 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.61 3hek h GLN 212 CO 0.19 0.10 0.00 1.19 -0.00 0.00 0.00 178.83 180.31 3hek n PHE 213 N -4.48 0.69 -2.34 0.06 3.72 -1.26 -4.90 117.46 108.95 3hek n PHE 213 Ca -0.02 -0.34 -0.43 0.00 -0.05 0.00 0.00 57.45 56.61 3hek n PHE 213 Cb 0.12 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 3hek n PHE 213 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3hek s ILE 214 N -1.31 4.12 -0.43 4.37 -1.09 -1.10 -4.92 121.20 120.84 3hek s ILE 214 Ca 0.43 1.37 -0.02 0.00 -2.23 0.00 0.00 60.65 60.20 3hek s ILE 214 Cb 0.24 -3.88 0.20 0.00 -1.58 0.00 0.00 42.46 37.44 3hek s ILE 214 CO 0.33 -0.10 2.26 0.61 -1.23 0.00 0.00 174.94 176.80 3hek n GLY 215 N 3.69 4.47 3.06 6.18 0.00 -1.26 -4.85 105.19 116.47 3hek n GLY 215 Ca 0.14 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 3hek n GLY 215 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hek s TYR 216 N -2.14 0.37 0.11 1.61 2.02 -1.26 -5.12 117.35 112.94 3hek s TYR 216 Ca 0.45 -0.78 -0.31 0.00 -0.37 0.00 0.00 57.07 56.06 3hek s TYR 216 Cb 0.33 -0.27 -0.10 0.00 -0.40 0.00 0.00 41.96 41.52 3hek s TYR 216 CO -0.09 -0.32 1.78 -2.14 -1.57 0.00 0.00 175.55 173.22 3hek s PRO 217 N -2.87 4.15 -0.21 -1.71 0.02 -1.26 -4.89 135.00 128.23 3hek s PRO 217 Ca -0.03 2.52 -0.02 0.00 0.02 0.00 0.00 61.00 63.50 3hek s PRO 217 Cb 0.00 -3.60 0.00 0.00 0.02 0.00 0.00 34.50 30.93 3hek s PRO 217 CO -0.06 -0.81 -0.10 0.42 -0.33 0.00 0.00 177.00 176.12 3hek s ILE 218 N 2.71 2.90 -0.11 2.83 1.01 -1.26 -0.88 121.20 128.41 3hek s ILE 218 Ca 0.79 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.81 3hek s ILE 218 Cb -0.44 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 39.75 3hek s ILE 218 CO 0.35 0.46 -0.16 -0.89 0.00 0.00 0.00 174.94 174.70 3hek s THR 219 N 1.41 1.56 -0.10 2.92 2.01 -0.20 -5.01 115.64 118.23 3hek s THR 219 Ca 0.05 -0.69 -0.19 0.00 0.31 0.00 0.00 61.69 61.18 3hek s THR 219 Cb -0.14 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 3hek s THR 219 CO -0.07 0.45 0.52 -0.22 -0.69 0.00 0.00 174.62 174.62 3hek s LEU 220 N 0.89 4.30 -0.33 4.42 2.96 -1.26 -1.06 118.68 128.61 3hek s LEU 220 Ca -0.08 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 54.76 3hek s LEU 220 Cb -0.15 -2.78 0.09 0.00 0.50 0.00 0.00 46.19 43.85 3hek s LEU 220 CO -0.00 0.00 0.03 -0.36 -1.32 0.00 0.00 176.35 174.69 3hek s PHE 221 N 0.53 3.58 -0.46 5.38 0.08 0.11 -4.95 117.98 122.24 3hek s PHE 221 Ca 0.28 -2.68 -0.29 0.00 0.12 0.00 0.00 56.93 54.36 3hek s PHE 221 Cb -0.16 -2.65 0.03 0.00 -0.57 0.00 0.00 43.02 39.67 3hek s PHE 221 CO 0.12 -0.92 1.13 0.08 -0.10 0.00 0.00 175.22 175.53 3hek s VAL 222 N 1.01 4.23 -0.12 -0.44 1.01 -1.26 -3.66 120.40 121.17 3hek s VAL 222 Ca 0.04 1.26 -0.24 0.00 0.00 0.00 0.00 61.98 63.04 3hek s VAL 222 Cb -0.20 -4.59 -0.03 0.00 0.00 0.00 0.00 36.38 31.57 3hek s VAL 222 CO -0.06 -0.97 0.74 -0.70 0.00 0.00 0.00 175.10 174.11 3hek s GLU 223 N 4.38 4.36 -0.16 2.72 2.12 -0.94 -5.03 118.70 126.16 3hek s GLU 223 Ca 0.48 0.90 -0.03 0.00 0.36 0.00 0.00 54.97 56.68 3hek s GLU 223 Cb -0.08 -3.51 0.05 0.00 0.26 0.00 0.00 34.13 30.86 3hek s GLU 223 CO 0.30 -0.12 0.05 0.15 -0.54 0.00 0.00 175.26 175.10 3hek s LYS 224 N 1.44 0.42 0.30 4.30 1.02 -1.26 -4.47 119.74 121.49 3hek s LYS 224 Ca 0.37 -0.18 -0.29 0.00 0.02 0.00 0.00 55.97 55.89 3hek s LYS 224 Cb -0.17 -1.74 -0.10 0.00 -0.52 0.00 0.00 37.83 35.30 3hek s LYS 224 CO 0.15 -0.57 1.25 -1.21 -0.92 0.00 0.00 175.35 174.05 3hek s GLU 225 N 1.98 4.44 0.22 1.68 8.01 -1.26 -5.01 118.70 128.76 3hek s GLU 225 Ca 0.01 2.08 -0.05 0.00 0.01 0.00 0.00 54.97 57.01 3hek s GLU 225 Cb -0.16 -3.12 -0.06 0.00 -4.31 0.00 0.00 34.13 26.49 3hek s GLU 225 CO -0.07 -0.08 0.48 -0.51 0.01 0.00 0.00 175.26 175.09 3hek s LEU 226 N -1.48 4.17 0.09 1.80 1.43 -1.26 -4.98 118.68 118.43 3hek s LEU 226 Ca 0.49 0.68 -0.35 0.00 -1.03 0.00 0.00 54.13 53.92 3hek s LEU 226 Cb -0.37 -3.46 -0.14 0.00 0.03 0.00 0.00 46.19 42.25 3hek s LEU 226 CO 0.48 -0.07 1.61 1.21 0.23 0.00 0.00 176.35 179.80 3hek n GLU 227 N -0.41 1.98 -0.98 1.70 2.13 -1.26 -0.97 120.64 122.83 3hek n GLU 227 Ca -0.02 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.52 3hek n GLU 227 Cb 0.53 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.76 3hek n GLU 227 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3hek n HIS 228 N 3.99 0.00 -2.73 4.31 8.25 -1.26 -4.87 115.22 122.91 3hek n HIS 228 Ca 0.19 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.59 3hek n HIS 228 Cb 0.27 -0.51 0.04 0.00 1.12 0.00 0.00 29.99 30.91 3hek n HIS 228 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hek n HIS 229 N -2.62 1.26 -1.63 4.41 8.25 -0.14 -5.12 115.22 119.64 3hek n HIS 229 Ca 0.00 -2.49 0.00 0.00 -0.26 0.00 0.00 57.72 54.97 3hek n HIS 229 Cb 0.11 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.92 3hek n HIS 229 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hek n HIS 230 N -0.33 -3.02 -0.84 4.41 8.25 -1.25 -4.29 115.22 118.15 3hek n HIS 230 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3hek n HIS 230 Cb 0.81 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.92 3hek n HIS 230 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70