#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dek s LYS 2 N 0.00 3.61 -0.27 2.12 -2.85 -0.49 -4.97 119.74 116.89 1dek s LYS 2 Ca 0.00 -0.53 -0.21 0.00 -1.00 0.00 0.00 55.97 54.23 1dek s LYS 2 Cb 0.00 -3.07 -0.01 0.00 -2.06 0.00 0.00 37.83 32.69 1dek s LYS 2 CO 0.00 0.01 0.69 -1.17 0.10 0.00 0.00 175.35 174.98 1dek s LEU 3 N 1.00 4.08 -0.10 2.77 2.96 -1.26 -0.96 118.68 127.17 1dek s LEU 3 Ca 0.02 0.72 0.04 0.00 -0.22 0.00 0.00 54.13 54.68 1dek s LEU 3 Cb -0.14 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.61 1dek s LEU 3 CO 0.02 -0.45 -0.24 -0.63 -1.32 0.00 0.00 176.35 173.73 1dek s ILE 4 N 2.64 2.02 -0.23 6.68 1.01 0.43 -1.19 121.20 132.57 1dek s ILE 4 Ca 0.28 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 1dek s ILE 4 Cb -0.15 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1dek s ILE 4 CO 0.09 0.55 0.05 -0.36 0.00 0.00 0.00 174.94 175.28 1dek s PHE 5 N 0.36 3.09 0.08 3.97 0.40 -0.22 -1.35 117.98 124.32 1dek s PHE 5 Ca -0.19 -0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 55.76 1dek s PHE 5 Cb -0.18 -2.18 -0.05 0.00 0.51 0.00 0.00 43.02 41.13 1dek s PHE 5 CO 0.09 -0.26 0.26 -0.51 0.70 0.00 0.00 175.22 175.50 1dek s LEU 6 N 1.28 4.33 -0.03 -0.37 1.43 0.94 -1.13 118.68 125.13 1dek s LEU 6 Ca 0.05 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1dek s LEU 6 Cb -0.15 -3.05 0.03 0.00 0.03 0.00 0.00 46.19 43.06 1dek s LEU 6 CO 0.03 0.14 0.01 -0.55 0.23 0.00 0.00 176.35 176.20 1dek s SER 7 N -2.43 0.33 0.00 2.29 0.15 -0.67 -3.28 113.70 110.08 1dek s SER 7 Ca 0.36 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1dek s SER 7 Cb -0.13 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1dek s SER 7 CO 0.26 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1dek n GLY 8 N 4.09 1.24 3.74 9.45 0.00 -1.26 -0.46 105.19 121.99 1dek n GLY 8 Ca -0.27 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1dek n GLY 8 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dek s VAL 9 N -1.15 1.89 0.41 1.61 -7.23 -1.26 -4.93 120.40 109.74 1dek s VAL 9 Ca 0.00 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 59.91 1dek s VAL 9 Cb 0.00 -2.68 -0.10 0.00 0.56 0.00 0.00 36.38 34.16 1dek s VAL 9 CO 0.00 0.00 1.36 0.29 -0.31 0.00 0.00 175.10 176.44 1dek n LYS 10 N -4.10 2.21 -2.60 4.82 4.76 -1.26 -2.62 118.16 119.38 1dek n LYS 10 Ca 0.09 0.78 -0.18 0.00 -2.87 0.00 0.00 58.31 56.14 1dek n LYS 10 Cb 0.59 -2.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.28 1dek n LYS 10 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1dek n ARG 11 N 0.15 -2.53 0.05 1.97 1.74 -1.26 -4.87 116.66 111.91 1dek n ARG 11 Ca 0.05 0.76 0.11 0.00 -0.77 0.00 0.00 57.85 58.00 1dek n ARG 11 Cb 0.39 -5.43 -0.01 0.00 -1.02 0.00 0.00 32.46 26.40 1dek n ARG 11 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1dek n SER 12 N -2.02 0.60 0.00 0.55 3.41 -1.08 -4.94 113.62 110.14 1dek n SER 12 Ca -0.16 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1dek n SER 12 Cb 0.63 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 1dek n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dek n GLY 13 N 1.28 0.80 0.19 5.00 0.00 -1.26 -4.07 105.19 107.13 1dek n GLY 13 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1dek n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1dek h LYS 14 N 2.04 0.61 0.00 1.61 3.64 -1.84 -2.01 116.57 120.61 1dek h LYS 14 Ca 0.00 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1dek h LYS 14 Cb 0.00 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1dek h LYS 14 CO 0.00 0.52 -0.23 -0.44 -2.27 0.00 0.00 179.45 177.03 1dek h ASP 15 N 0.54 0.00 -0.20 4.20 3.32 -1.93 -1.36 116.42 120.98 1dek h ASP 15 Ca 0.14 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 1dek h ASP 15 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1dek h ASP 15 CO -0.02 0.23 -0.26 0.74 -1.72 0.00 0.00 179.24 178.22 1dek h THR 16 N 0.00 1.33 0.02 0.35 2.02 -1.93 -2.42 112.91 112.29 1dek h THR 16 Ca -0.00 -1.45 0.01 0.00 0.77 0.00 0.00 66.41 65.74 1dek h THR 16 Cb 0.42 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1dek h THR 16 CO 0.03 0.44 -0.08 0.74 0.37 0.00 0.00 175.52 177.03 1dek h THR 17 N 0.21 0.81 -0.66 3.16 2.02 -1.05 0.12 112.91 117.51 1dek h THR 17 Ca 0.03 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.34 1dek h THR 17 Cb 0.82 0.81 -0.10 0.00 -1.74 0.00 0.00 68.15 67.94 1dek h THR 17 CO 0.06 0.00 0.15 0.00 0.37 0.00 0.00 175.52 176.10 1dek h ALA 18 N 0.81 0.81 -0.11 6.16 0.00 -1.21 0.24 119.26 125.97 1dek h ALA 18 Ca 0.02 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1dek h ALA 18 Cb 0.17 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1dek h ALA 18 CO -0.06 -0.31 -0.61 -0.44 0.00 0.00 0.00 179.25 177.82 1dek h ASP 19 N 0.27 0.44 -0.27 0.00 3.32 -1.03 -0.52 116.42 118.63 1dek h ASP 19 Ca 0.36 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1dek h ASP 19 Cb 0.56 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1dek h ASP 19 CO -0.45 0.94 0.17 0.15 -1.72 0.00 0.00 179.24 178.34 1dek h PHE 20 N 0.28 0.34 -0.27 4.55 3.57 0.11 -1.98 116.94 123.54 1dek h PHE 20 Ca -0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1dek h PHE 20 Cb 1.15 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1dek h PHE 20 CO 0.03 0.24 0.07 0.82 -2.23 0.00 0.00 178.31 177.24 1dek h ILE 21 N 0.35 1.21 0.00 1.41 2.04 -0.95 -1.14 117.51 120.43 1dek h ILE 21 Ca 0.10 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1dek h ILE 21 Cb -0.02 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1dek h ILE 21 CO -0.02 0.23 -0.06 0.24 0.00 0.00 0.00 178.15 178.54 1dek h MET 22 N 0.27 0.00 0.00 2.37 2.86 -0.93 -2.23 114.93 117.26 1dek h MET 22 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1dek h MET 22 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1dek h MET 22 CO 0.00 0.06 -1.12 -1.13 1.06 0.00 0.00 176.91 175.78 1dek n SER 23 N -3.39 0.90 -0.26 1.22 3.41 -0.76 -4.46 113.62 110.28 1dek n SER 23 Ca -0.02 -0.58 0.07 0.00 -0.26 0.00 0.00 58.87 58.09 1dek n SER 23 Cb 0.20 1.27 -0.02 0.00 -0.26 0.00 0.00 64.21 65.39 1dek n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1dek n ASN 24 N -1.63 1.36 -4.22 4.04 3.02 -0.47 -5.03 115.26 112.32 1dek n ASN 24 Ca 0.01 -1.18 -0.13 0.00 -0.03 0.00 0.00 54.58 53.25 1dek n ASN 24 Cb 0.32 0.60 -0.10 0.00 -0.61 0.00 0.00 39.78 39.99 1dek n ASN 24 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1dek s TYR 25 N -1.95 1.18 -0.61 3.10 1.51 -0.85 -5.05 117.35 114.67 1dek s TYR 25 Ca 0.11 -1.22 -0.25 0.00 -1.01 0.00 0.00 57.07 54.71 1dek s TYR 25 Cb 0.12 -0.65 0.05 0.00 -0.11 0.00 0.00 41.96 41.37 1dek s TYR 25 CO 0.43 -0.44 1.03 0.45 -1.11 0.00 0.00 175.55 175.92 1dek s SER 26 N -3.17 6.29 0.01 2.29 0.15 -1.26 -4.78 113.70 113.22 1dek s SER 26 Ca 0.31 -0.46 -0.06 0.00 0.70 0.00 0.00 55.95 56.44 1dek s SER 26 Cb 0.07 -2.47 -0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1dek s SER 26 CO 0.08 -1.41 0.11 0.00 1.20 0.00 0.00 173.24 173.22 1dek s ALA 27 N 4.39 -0.23 0.02 5.45 0.00 -1.26 -1.33 121.76 128.80 1dek s ALA 27 Ca 0.31 -0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.09 1dek s ALA 27 Cb -0.12 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 1dek s ALA 27 CO 0.17 -0.22 -0.24 0.54 0.00 0.00 0.00 175.76 176.01 1dek s VAL 28 N -1.58 1.93 0.17 0.00 0.11 -0.42 -4.96 120.40 115.64 1dek s VAL 28 Ca -0.14 -1.19 0.09 0.00 -2.93 0.00 0.00 61.98 57.81 1dek s VAL 28 Cb -0.07 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 1dek s VAL 28 CO 0.00 0.40 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.31 1dek s LYS 29 N -0.94 1.99 -0.03 1.54 2.20 -1.26 -1.51 119.74 121.72 1dek s LYS 29 Ca 0.10 -1.25 -0.01 0.00 -0.36 0.00 0.00 55.97 54.45 1dek s LYS 29 Cb -0.09 -2.15 0.03 0.00 -1.51 0.00 0.00 37.83 34.11 1dek s LYS 29 CO 0.01 0.45 0.05 -0.47 -0.36 0.00 0.00 175.35 175.02 1dek s TYR 30 N -1.58 0.04 -0.27 4.03 5.04 0.70 -4.92 117.35 120.40 1dek s TYR 30 Ca 0.23 0.21 -0.12 0.00 -2.44 0.00 0.00 57.07 54.95 1dek s TYR 30 Cb -0.09 -0.38 -0.05 0.00 0.35 0.00 0.00 41.96 41.80 1dek s TYR 30 CO 0.14 -0.15 0.26 -0.65 -1.34 0.00 0.00 175.55 173.81 1dek s GLN 31 N 1.71 4.00 0.35 4.97 -0.21 -1.26 -4.03 119.66 125.20 1dek s GLN 31 Ca -0.01 -0.16 0.07 0.00 0.02 0.00 0.00 55.36 55.27 1dek s GLN 31 Cb -0.12 -3.63 0.75 0.00 1.00 0.00 0.00 33.01 31.00 1dek s GLN 31 CO -0.03 -0.17 1.91 -0.07 -2.12 0.00 0.00 175.29 174.82 1dek h LEU 32 N 8.27 0.69 -0.75 2.90 3.38 -1.91 0.17 115.31 128.06 1dek h LEU 32 Ca -0.34 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1dek h LEU 32 Cb 1.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1dek h LEU 32 CO 0.61 0.41 0.00 0.00 0.09 0.00 0.00 178.44 179.54 1dek n ALA 33 N -2.44 2.53 0.05 1.53 0.00 -1.26 -4.37 120.51 116.56 1dek n ALA 33 Ca 0.14 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 1dek n ALA 33 Cb 0.33 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 1dek n ALA 33 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1dek h GLY 34 N 5.21 -1.19 2.00 0.00 0.00 -1.36 -1.94 103.07 105.80 1dek h GLY 34 Ca 0.00 0.64 -0.00 0.00 0.00 0.00 0.00 47.33 47.97 1dek h GLY 34 CO 0.00 -0.30 -0.02 -2.55 0.00 0.00 0.00 176.54 173.67 1dek h PRO 35 N -0.54 0.00 0.05 4.80 0.11 -1.78 -0.84 132.00 133.80 1dek h PRO 35 Ca 0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1dek h PRO 35 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1dek h PRO 35 CO -0.27 0.02 -0.02 0.82 -0.21 0.00 0.00 178.00 178.34 1dek h ILE 36 N 0.00 1.19 -0.52 4.15 2.04 -1.64 -1.31 117.51 121.43 1dek h ILE 36 Ca -0.00 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 1dek h ILE 36 Cb 0.12 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1dek h ILE 36 CO 0.00 0.20 0.00 0.11 0.00 0.00 0.00 178.15 178.47 1dek h LYS 37 N -0.42 0.87 -0.37 2.37 1.57 -1.02 -2.08 116.57 117.49 1dek h LYS 37 Ca -0.01 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 1dek h LYS 37 Cb 0.38 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1dek h LYS 37 CO 0.01 0.86 -0.21 -0.44 -0.57 0.00 0.00 179.45 179.10 1dek h ASP 38 N 0.80 0.73 -0.30 0.86 3.32 -1.10 -1.39 116.42 119.35 1dek h ASP 38 Ca 0.15 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.80 1dek h ASP 38 Cb 0.48 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1dek h ASP 38 CO 0.02 0.93 -0.37 0.00 -1.72 0.00 0.00 179.24 178.10 1dek h ALA 39 N 1.13 0.67 -0.26 3.45 0.00 -0.93 -2.19 119.26 121.13 1dek h ALA 39 Ca 0.09 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 1dek h ALA 39 Cb 0.70 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1dek h ALA 39 CO 0.05 0.67 -0.38 -0.07 0.00 0.00 0.00 179.25 179.52 1dek h LEU 40 N 0.69 0.78 -1.10 0.00 3.38 -1.25 0.12 115.31 117.94 1dek h LEU 40 Ca 0.06 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1dek h LEU 40 Cb 0.94 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1dek h LEU 40 CO 0.09 1.14 0.38 0.00 0.09 0.00 0.00 178.44 180.14 1dek h ALA 41 N 0.66 1.31 -0.18 1.53 0.00 -1.28 0.19 119.26 121.49 1dek h ALA 41 Ca 0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1dek h ALA 41 Cb 0.97 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1dek h ALA 41 CO 0.09 0.56 -0.24 -0.92 0.00 0.00 0.00 179.25 178.74 1dek h TYR 42 N 1.02 0.58 -0.54 0.00 3.20 -1.25 -2.76 116.97 117.22 1dek h TYR 42 Ca 0.26 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1dek h TYR 42 Cb 0.05 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1dek h TYR 42 CO 0.01 0.87 0.21 0.00 -1.64 0.00 0.00 178.16 177.61 1dek h ALA 43 N 0.61 0.70 -0.55 1.82 0.00 -0.55 -2.64 119.26 118.65 1dek h ALA 43 Ca 0.02 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1dek h ALA 43 Cb 0.80 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1dek h ALA 43 CO 0.06 0.32 0.32 2.35 0.00 0.00 0.00 179.25 182.30 1dek h TRP 44 N 0.74 0.59 0.00 0.00 2.91 -0.67 0.13 115.95 119.64 1dek h TRP 44 Ca 0.18 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.18 1dek h TRP 44 Cb 0.21 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.67 1dek h TRP 44 CO 0.01 0.32 -0.19 0.78 -1.03 0.00 0.00 178.44 178.33 1dek h GLY 45 N 0.62 0.00 1.53 2.65 0.00 -1.32 0.33 103.07 106.88 1dek h GLY 45 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.27 1dek h GLY 45 CO -0.12 0.00 -1.31 -2.08 0.00 0.00 0.00 176.54 173.03 1dek h VAL 46 N 0.00 1.42 0.00 4.60 2.07 -0.83 -3.13 116.25 120.39 1dek h VAL 46 Ca -0.00 -2.99 -0.02 0.00 0.82 0.00 0.00 66.70 64.51 1dek h VAL 46 Cb 0.42 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1dek h VAL 46 CO 0.02 0.87 -0.06 0.15 0.02 0.00 0.00 177.57 178.58 1dek h PHE 47 N 0.08 0.06 -0.23 1.57 3.04 -0.24 -3.31 116.94 117.91 1dek h PHE 47 Ca -0.16 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.75 1dek h PHE 47 Cb 2.00 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.50 1dek h PHE 47 CO 0.07 0.84 0.00 0.00 -2.02 0.00 0.00 178.31 177.20 1dek n ALA 48 N -2.52 2.50 -0.25 2.41 0.00 0.11 -4.63 120.51 118.14 1dek n ALA 48 Ca -0.10 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1dek n ALA 48 Cb 0.42 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1dek n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dek n ALA 49 N 0.19 -0.02 -2.11 0.00 0.00 -1.18 -3.11 120.51 114.27 1dek n ALA 49 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.24 1dek n ALA 49 Cb 0.23 0.42 0.02 0.00 0.00 0.00 0.00 19.45 20.11 1dek n ALA 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1dek n ASN 50 N -2.46 5.41 -4.15 0.00 3.02 -1.26 -5.01 115.26 110.80 1dek n ASN 50 Ca 0.00 -3.75 -0.24 0.00 -0.03 0.00 0.00 54.58 50.56 1dek n ASN 50 Cb 0.00 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.61 1dek n ASN 50 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1dek n THR 51 N -0.63 0.00 -0.82 3.41 -2.24 -1.18 -5.03 114.28 107.80 1dek n THR 51 Ca 0.45 -1.83 0.08 0.00 -2.27 0.00 0.00 64.05 60.48 1dek n THR 51 Cb 0.74 0.19 0.24 0.00 -2.10 0.00 0.00 70.33 69.41 1dek n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1dek n ASP 52 N -1.47 3.72 -4.79 3.42 2.03 -1.26 -4.96 116.55 113.23 1dek n ASP 52 Ca -0.11 -2.80 -0.35 0.00 0.52 0.00 0.00 54.79 52.05 1dek n ASP 52 Cb 0.50 -0.48 -0.05 0.00 -0.72 0.00 0.00 41.12 40.37 1dek n ASP 52 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1dek s TYR 53 N -2.43 3.28 0.00 -0.67 2.02 -1.26 -5.21 117.35 113.07 1dek s TYR 53 Ca 0.38 1.64 0.00 0.00 -0.37 0.00 0.00 57.07 58.73 1dek s TYR 53 Cb 0.30 -3.02 0.00 0.00 -0.40 0.00 0.00 41.96 38.83 1dek s TYR 53 CO 0.10 -0.44 0.00 -0.35 -1.57 0.00 0.00 175.55 173.30 1dek n PRO 54 N -0.31 0.31 -3.47 -1.71 -0.04 -1.26 -5.00 135.00 123.52 1dek n PRO 54 Ca 0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1dek n PRO 54 Cb 0.51 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.92 1dek n PRO 54 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dek s LEU 56 N 0.00 -0.08 0.50 1.53 1.43 -1.26 -4.94 118.68 115.86 1dek s LEU 56 Ca 0.00 0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 1dek s LEU 56 Cb 0.00 1.10 0.02 0.00 0.03 0.00 0.00 46.19 47.34 1dek s LEU 56 CO 0.00 -0.02 0.45 0.42 0.23 0.00 0.00 176.35 177.43 1dek s THR 57 N 1.45 2.14 0.42 5.49 -4.23 -1.26 -4.74 115.64 114.91 1dek s THR 57 Ca -0.05 -1.36 0.17 0.00 -1.18 0.00 0.00 61.69 59.28 1dek s THR 57 Cb -0.02 -2.50 0.38 0.00 1.34 0.00 0.00 72.50 71.70 1dek s THR 57 CO -0.12 0.00 1.86 -0.09 -0.54 0.00 0.00 174.62 175.73 1dek h ARG 58 N 0.79 0.39 -0.88 3.99 9.65 -1.91 0.22 114.38 126.63 1dek h ARG 58 Ca -0.38 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.46 1dek h ARG 58 Cb 1.28 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.74 1dek h ARG 58 CO 0.55 0.26 0.46 -0.22 2.80 0.00 0.00 179.97 183.82 1dek h LYS 59 N 0.40 1.24 -0.25 0.20 3.64 -1.95 0.42 116.57 120.28 1dek h LYS 59 Ca 0.46 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.54 1dek h LYS 59 Cb 1.14 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1dek h LYS 59 CO -0.17 0.93 -0.41 0.93 -2.27 0.00 0.00 179.45 178.46 1dek h GLU 60 N 1.24 0.71 0.00 1.90 3.07 -0.89 -0.98 114.58 119.63 1dek h GLU 60 Ca 0.31 -0.43 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 1dek h GLU 60 Cb 0.07 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1dek h GLU 60 CO -0.04 1.06 -0.04 0.74 -1.40 0.00 0.00 179.01 179.32 1dek h PHE 61 N 0.43 0.00 0.00 4.33 0.04 -0.69 0.21 116.94 121.26 1dek h PHE 61 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1dek h PHE 61 Cb 1.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.15 1dek h PHE 61 CO 0.08 0.04 0.00 1.49 -0.60 0.00 0.00 178.31 179.32 1dek h GLU 62 N 0.00 0.00 0.00 1.51 4.57 0.37 -3.47 114.58 117.55 1dek h GLU 62 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1dek h GLU 62 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1dek h GLU 62 CO 0.01 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.25 1dek n GLY 63 N 0.88 0.64 3.56 1.92 0.00 0.73 -4.99 105.19 107.92 1dek n GLY 63 Ca 0.04 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1dek n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dek s ILE 64 N -2.00 3.75 -1.21 -0.61 1.01 -0.46 -3.62 121.20 118.05 1dek s ILE 64 Ca 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 60.65 61.15 1dek s ILE 64 Cb 0.00 -4.75 -0.01 0.00 0.01 0.00 0.00 42.46 37.72 1dek s ILE 64 CO 0.00 -1.61 0.90 0.47 0.00 0.00 0.00 174.94 174.70 1dek n ASP 65 N 9.54 -2.28 -3.64 3.58 9.92 -1.26 -4.63 116.55 127.78 1dek n ASP 65 Ca 0.06 -0.69 -0.05 0.00 -0.53 0.00 0.00 54.79 53.58 1dek n ASP 65 Cb 0.49 -4.80 -0.06 0.00 -0.64 0.00 0.00 41.12 36.11 1dek n ASP 65 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1dek s TYR 66 N -3.45 -1.09 -0.43 1.24 5.04 -1.24 -5.03 117.35 112.39 1dek s TYR 66 Ca 0.05 2.10 -0.22 0.00 -2.44 0.00 0.00 57.07 56.56 1dek s TYR 66 Cb -0.01 0.65 0.02 0.00 0.35 0.00 0.00 41.96 42.97 1dek s TYR 66 CO 0.76 -0.54 0.73 0.34 -1.34 0.00 0.00 175.55 175.50 1dek s ASP 67 N 1.90 6.40 0.00 4.32 -1.08 -1.26 -4.64 116.67 122.32 1dek s ASP 67 Ca -0.09 -0.10 0.21 0.00 -0.52 0.00 0.00 52.55 52.05 1dek s ASP 67 Cb -0.06 -2.36 1.25 0.00 -1.46 0.00 0.00 42.92 40.28 1dek s ASP 67 CO -0.19 -0.83 1.64 0.54 0.52 0.00 0.00 175.17 176.85 1dek n ARG 68 N 6.49 0.64 0.00 4.34 1.74 -1.26 -1.85 116.66 126.76 1dek n ARG 68 Ca 0.01 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.22 1dek n ARG 68 Cb 0.48 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.62 1dek n ARG 68 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1dek n GLU 69 N -1.01 1.86 -1.69 5.56 -0.58 -1.26 -0.14 120.64 123.37 1dek n GLU 69 Ca 0.15 -1.43 -0.43 0.00 -0.42 0.00 0.00 57.16 55.04 1dek n GLU 69 Cb 0.08 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.44 1dek n GLU 69 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1dek n THR 70 N 0.67 0.25 -2.07 2.62 -1.04 -0.77 -4.80 114.28 109.13 1dek n THR 70 Ca 0.14 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.69 1dek n THR 70 Cb 0.50 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 66.98 1dek n THR 70 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1dek s ASN 71 N 2.22 6.73 0.00 8.00 3.84 -1.26 -4.23 114.94 130.24 1dek s ASN 71 Ca 0.81 2.46 0.24 0.00 0.21 0.00 0.00 52.86 56.58 1dek s ASN 71 Cb -0.53 -2.59 0.55 0.00 -0.55 0.00 0.00 41.25 38.14 1dek s ASN 71 CO 0.37 -0.71 1.46 0.18 -2.79 0.00 0.00 177.10 175.61 1dek n LEU 72 N 3.80 2.50 -3.89 3.21 4.77 0.96 -4.97 117.00 123.37 1dek n LEU 72 Ca 0.12 -0.94 -0.32 0.00 -0.03 0.00 0.00 56.01 54.84 1dek n LEU 72 Cb 0.41 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1dek n LEU 72 CO 0.60 0.47 -0.17 0.59 -1.33 0.00 0.00 177.39 177.54 1dek n ASN 73 N 0.91 -2.95 -4.77 -1.43 4.13 -1.26 -4.97 115.26 104.93 1dek n ASN 73 Ca 0.17 -1.09 -0.27 0.00 1.68 0.00 0.00 54.58 55.07 1dek n ASN 73 Cb 0.49 -2.82 -0.06 0.00 -1.54 0.00 0.00 39.78 35.85 1dek n ASN 73 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1dek s LEU 74 N -6.89 3.72 0.35 3.41 1.43 -1.26 -5.11 118.68 114.32 1dek s LEU 74 Ca 0.28 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1dek s LEU 74 Cb -0.12 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1dek s LEU 74 CO 0.90 0.09 0.60 0.42 0.23 0.00 0.00 176.35 178.59 1dek s THR 75 N -1.69 5.04 0.59 5.49 -4.23 -1.26 -4.81 115.64 114.76 1dek s THR 75 Ca 0.30 -0.14 0.28 0.00 -1.18 0.00 0.00 61.69 60.95 1dek s THR 75 Cb -0.10 -3.82 0.36 0.00 1.34 0.00 0.00 72.50 70.28 1dek s THR 75 CO 0.22 -0.53 2.08 0.11 -0.54 0.00 0.00 174.62 175.97 1dek h LYS 76 N 0.98 0.00 -0.05 3.99 1.57 -1.97 -1.12 116.57 119.97 1dek h LYS 76 Ca -0.48 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.05 1dek h LYS 76 Cb 1.21 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.53 1dek h LYS 76 CO 0.63 0.00 -0.95 1.25 -0.57 0.00 0.00 179.45 179.81 1dek h LEU 77 N 0.00 0.87 -0.23 2.94 7.12 -1.99 -1.55 115.31 122.47 1dek h LEU 77 Ca 0.10 -0.65 -0.03 0.00 0.13 0.00 0.00 57.88 57.42 1dek h LEU 77 Cb 0.54 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.40 1dek h LEU 77 CO -0.00 1.45 0.01 -0.33 -0.13 0.00 0.00 178.44 179.44 1dek h GLU 78 N 0.41 0.39 -0.84 1.25 5.08 -1.62 -2.46 114.58 116.79 1dek h GLU 78 Ca -0.10 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1dek h GLU 78 Cb 1.59 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.76 1dek h GLU 78 CO 0.19 0.56 0.55 0.28 -1.00 0.00 0.00 179.01 179.59 1dek h VAL 79 N 0.17 1.18 -0.63 3.13 2.07 -1.37 -1.39 116.25 119.41 1dek h VAL 79 Ca 0.07 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1dek h VAL 79 Cb 0.38 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1dek h VAL 79 CO 0.01 0.20 0.14 0.40 0.02 0.00 0.00 177.57 178.34 1dek h ILE 80 N 1.10 1.25 -0.63 4.57 2.04 -1.24 -0.76 117.51 123.85 1dek h ILE 80 Ca 0.32 -0.92 -0.09 0.00 1.00 0.00 0.00 64.86 65.17 1dek h ILE 80 Cb -0.06 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1dek h ILE 80 CO -0.09 0.35 0.06 0.74 0.00 0.00 0.00 178.15 179.20 1dek h THR 81 N 0.95 1.26 -0.26 -0.27 2.02 -0.89 -0.36 112.91 115.36 1dek h THR 81 Ca 0.20 -1.08 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 1dek h THR 81 Cb 0.35 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1dek h THR 81 CO 0.00 0.40 -0.17 0.40 0.37 0.00 0.00 175.52 176.52 1dek h ILE 82 N 0.99 1.30 -0.47 3.11 2.04 -0.91 -2.78 117.51 120.78 1dek h ILE 82 Ca 0.19 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1dek h ILE 82 Cb 0.49 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1dek h ILE 82 CO 0.02 0.41 0.21 0.24 0.00 0.00 0.00 178.15 179.02 1dek h MET 83 N 0.30 0.66 -0.05 2.37 2.86 -0.79 -0.66 114.93 119.63 1dek h MET 83 Ca 0.05 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1dek h MET 83 Cb 0.70 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1dek h MET 83 CO 0.05 0.53 -0.45 1.49 1.06 0.00 0.00 176.91 179.59 1dek h GLU 84 N 0.66 0.11 0.05 1.72 4.81 -0.87 -1.57 114.58 119.51 1dek h GLU 84 Ca 0.16 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 1dek h GLU 84 Cb 0.10 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.49 1dek h GLU 84 CO -0.02 0.55 -1.08 1.96 -0.73 0.00 0.00 179.01 179.69 1dek h GLN 85 N 0.09 0.46 -0.80 1.92 1.08 -1.08 -2.59 115.11 114.20 1dek h GLN 85 Ca 0.00 -0.57 -0.00 0.00 -1.45 0.00 0.00 58.65 56.64 1dek h GLN 85 Cb 0.84 0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 28.41 1dek h GLN 85 CO 0.06 1.21 0.48 0.00 -0.95 0.00 0.00 178.83 179.64 1dek h ALA 86 N 0.58 1.02 -0.46 3.87 0.00 -1.01 -1.30 119.26 121.97 1dek h ALA 86 Ca -0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1dek h ALA 86 Cb 1.74 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1dek h ALA 86 CO 0.19 0.48 0.08 0.74 0.00 0.00 0.00 179.25 180.74 1dek h PHE 87 N 1.09 0.80 -0.85 0.00 -1.00 -1.28 -1.34 116.94 114.37 1dek h PHE 87 Ca 0.29 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.95 1dek h PHE 87 Cb -0.04 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.26 1dek h PHE 87 CO -0.01 0.75 0.49 0.00 -1.61 0.00 0.00 178.31 177.93 1dek h TYR 89 N 1.17 -0.50 -0.83 0.00 3.20 -1.02 -3.20 116.97 115.80 1dek h TYR 89 Ca 0.30 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.24 1dek h TYR 89 Cb -0.01 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 1dek h TYR 89 CO 0.01 -0.20 0.54 -0.07 -1.64 0.00 0.00 178.16 176.80 1dek h LEU 90 N -0.77 0.77 -2.34 2.82 3.38 -1.11 -1.28 115.31 116.78 1dek h LEU 90 Ca -0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1dek h LEU 90 Cb 0.52 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1dek h LEU 90 CO 0.09 0.48 -0.04 -1.13 0.09 0.00 0.00 178.44 177.94 1dek h ASN 91 N 0.87 0.00 1.10 -0.43 -1.24 -1.17 0.24 115.58 114.95 1dek h ASN 91 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.38 1dek h ASN 91 Cb 0.30 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.35 1dek h ASN 91 CO -0.14 0.04 -0.15 0.61 -1.29 0.00 0.00 177.43 176.50 1dek n GLY 92 N -1.09 -1.54 0.13 1.57 0.00 -0.49 -3.50 105.19 100.28 1dek n GLY 92 Ca -0.03 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1dek n GLY 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dek n LYS 93 N -1.88 0.67 -3.60 1.61 4.76 0.77 -4.95 118.16 115.54 1dek n LYS 93 Ca 0.06 0.35 -0.02 0.00 -2.87 0.00 0.00 58.31 55.83 1dek n LYS 93 Cb 0.39 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 31.85 1dek n LYS 93 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1dek s SER 94 N -6.97 -0.93 -0.00 4.39 0.15 -0.67 -5.12 113.70 104.54 1dek s SER 94 Ca -0.27 1.34 -0.38 0.00 0.70 0.00 0.00 55.95 57.34 1dek s SER 94 Cb 0.07 1.88 -0.17 0.00 -1.71 0.00 0.00 66.02 66.10 1dek s SER 94 CO 0.67 -0.19 1.40 -2.65 1.20 0.00 0.00 173.24 173.66 1dek n PRO 95 N 4.95 1.02 -3.28 5.44 -0.02 -1.23 -4.14 135.00 137.74 1dek n PRO 95 Ca -0.14 0.37 -0.39 0.00 -2.02 0.00 0.00 63.50 61.32 1dek n PRO 95 Cb 0.53 -2.00 -0.07 0.00 -0.02 0.00 0.00 33.50 31.93 1dek n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1dek s ILE 96 N 1.06 5.12 -0.26 4.25 1.01 -1.26 -4.99 121.20 126.12 1dek s ILE 96 Ca 0.88 0.88 -0.40 0.00 0.00 0.00 0.00 60.65 62.02 1dek s ILE 96 Cb -1.02 -3.81 -0.16 0.00 0.01 0.00 0.00 42.46 37.48 1dek s ILE 96 CO 0.52 0.19 1.72 1.17 0.00 0.00 0.00 174.94 178.54 1dek n LYS 97 N 4.79 1.15 -0.87 2.79 4.81 -1.26 -1.69 118.16 127.88 1dek n LYS 97 Ca -0.06 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1dek n LYS 97 Cb 0.50 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1dek n LYS 97 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dek n GLY 98 N 4.11 0.65 3.44 3.14 0.00 -1.26 -4.84 105.19 110.43 1dek n GLY 98 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1dek n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dek s VAL 99 N -2.38 3.37 0.03 1.61 1.01 -0.68 -4.57 120.40 118.79 1dek s VAL 99 Ca 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1dek s VAL 99 Cb 0.00 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1dek s VAL 99 CO 0.00 0.53 -0.19 -0.36 0.00 0.00 0.00 175.10 175.08 1dek s PHE 100 N 0.13 1.63 -0.16 5.22 0.08 -1.26 -4.69 117.98 118.93 1dek s PHE 100 Ca -0.04 -0.36 -0.03 0.00 0.12 0.00 0.00 56.93 56.61 1dek s PHE 100 Cb -0.14 -0.98 -0.02 0.00 -0.57 0.00 0.00 43.02 41.30 1dek s PHE 100 CO 0.04 0.06 -0.05 0.08 -0.10 0.00 0.00 175.22 175.26 1dek s VAL 101 N -0.76 3.75 0.09 -0.44 1.01 -1.26 -1.63 120.40 121.16 1dek s VAL 101 Ca 0.06 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.72 1dek s VAL 101 Cb -0.08 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1dek s VAL 101 CO 0.01 0.48 -0.20 -0.36 0.00 0.00 0.00 175.10 175.04 1dek s PHE 102 N 0.51 2.51 -0.07 5.22 0.08 0.30 -4.94 117.98 121.59 1dek s PHE 102 Ca -0.04 -0.28 0.04 0.00 0.12 0.00 0.00 56.93 56.77 1dek s PHE 102 Cb -0.14 -1.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 1dek s PHE 102 CO 0.03 0.32 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.77 1dek s ASP 103 N -1.82 3.67 -0.50 1.36 1.11 -1.26 -1.38 116.67 117.84 1dek s ASP 103 Ca 0.16 -0.34 0.08 0.00 0.18 0.00 0.00 52.55 52.63 1dek s ASP 103 Cb -0.10 -0.98 0.29 0.00 1.07 0.00 0.00 42.92 43.19 1dek s ASP 103 CO 0.07 0.27 0.71 -0.67 1.18 0.00 0.00 175.17 176.74 1dek n ASP 104 N 2.78 2.25 -2.61 0.27 -0.08 -0.64 -4.96 116.55 113.55 1dek n ASP 104 Ca -0.17 -3.18 -0.05 0.00 -1.51 0.00 0.00 54.79 49.88 1dek n ASP 104 Cb 0.52 -0.63 0.01 0.00 2.34 0.00 0.00 41.12 43.36 1dek n ASP 104 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1dek n GLU 105 N 0.71 -2.30 -1.20 -0.67 1.02 -1.26 -3.45 120.64 113.49 1dek n GLU 105 Ca 0.26 2.05 -0.09 0.00 -0.02 0.00 0.00 57.16 59.36 1dek n GLU 105 Cb 0.49 -4.95 -0.04 0.00 -0.02 0.00 0.00 31.44 26.92 1dek n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dek n GLY 106 N -0.06 0.87 3.07 0.62 0.00 -1.26 -4.92 105.19 103.51 1dek n GLY 106 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1dek n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dek s LYS 107 N -2.65 1.95 -0.06 1.61 1.02 -1.22 -5.10 119.74 115.29 1dek s LYS 107 Ca 0.00 -1.59 -0.11 0.00 0.02 0.00 0.00 55.97 54.29 1dek s LYS 107 Cb 0.00 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 1dek s LYS 107 CO 0.00 -0.77 0.29 -1.21 -0.92 0.00 0.00 175.35 172.74 1dek s GLU 108 N 1.05 3.74 0.03 1.68 2.02 -1.26 -1.62 118.70 124.33 1dek s GLU 108 Ca 0.01 0.16 -0.05 0.00 0.02 0.00 0.00 54.97 55.11 1dek s GLU 108 Cb -0.20 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 30.80 1dek s GLU 108 CO -0.06 0.70 0.08 -1.54 0.02 0.00 0.00 175.26 174.47 1dek s SER 109 N -0.96 0.16 0.55 -0.19 1.04 -0.48 -4.90 113.70 108.92 1dek s SER 109 Ca 0.20 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 1dek s SER 109 Cb -0.14 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.19 1dek s SER 109 CO 0.09 -0.45 0.81 0.68 0.98 0.00 0.00 173.24 175.35 1dek s VAL 110 N -2.20 3.47 0.62 5.02 -7.23 -1.26 -0.54 120.40 118.28 1dek s VAL 110 Ca -0.08 -0.30 -0.17 0.00 -1.81 0.00 0.00 61.98 59.61 1dek s VAL 110 Cb -0.04 -3.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.55 1dek s VAL 110 CO -0.03 -0.30 1.15 0.54 -0.31 0.00 0.00 175.10 176.16 1dek s ASN 111 N -4.32 5.15 0.21 4.85 4.22 -0.65 -4.71 114.94 119.69 1dek s ASN 111 Ca 0.53 2.19 -0.10 0.00 -2.14 0.00 0.00 52.86 53.33 1dek s ASN 111 Cb -0.10 -2.58 0.30 0.00 1.28 0.00 0.00 41.25 40.15 1dek s ASN 111 CO 0.42 -1.61 1.67 0.15 -2.04 0.00 0.00 177.10 175.68 1dek h PHE 112 N 0.48 0.00 -0.99 1.54 3.57 -1.97 0.14 116.94 119.71 1dek h PHE 112 Ca -0.49 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.08 1dek h PHE 112 Cb 1.27 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 40.05 1dek h PHE 112 CO 0.51 -0.15 0.65 0.28 -2.23 0.00 0.00 178.31 177.38 1dek h VAL 113 N 0.14 1.23 -0.19 1.41 2.07 -1.93 0.36 116.25 119.34 1dek h VAL 113 Ca 0.32 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 1dek h VAL 113 Cb 0.52 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1dek h VAL 113 CO -0.51 0.24 -0.30 0.00 0.02 0.00 0.00 177.57 177.02 1dek h ALA 114 N 1.38 0.29 -0.82 1.67 0.00 -1.57 -2.69 119.26 117.51 1dek h ALA 114 Ca 0.37 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1dek h ALA 114 Cb -0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1dek h ALA 114 CO -0.09 0.31 0.54 0.35 0.00 0.00 0.00 179.25 180.36 1dek h PHE 115 N 0.19 0.99 -0.41 0.00 3.04 -0.30 -0.89 116.94 119.57 1dek h PHE 115 Ca 0.02 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 1dek h PHE 115 Cb 0.88 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.04 1dek h PHE 115 CO 0.09 0.59 0.03 -0.97 -2.02 0.00 0.00 178.31 176.02 1dek h ASN 116 N 1.03 0.61 0.48 0.41 -1.24 -0.24 -1.59 115.58 115.05 1dek h ASN 116 Ca 0.32 -0.12 -0.21 0.00 0.71 0.00 0.00 56.30 57.01 1dek h ASN 116 Cb 0.00 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 1dek h ASN 116 CO -0.09 0.66 -0.89 0.11 -1.29 0.00 0.00 177.43 175.93 1dek h LYS 117 N 0.62 0.28 0.21 6.67 1.57 -0.89 -1.89 116.57 123.14 1dek h LYS 117 Ca 0.13 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1dek h LYS 117 Cb 0.35 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1dek h LYS 117 CO 0.01 1.01 -0.19 0.82 -0.57 0.00 0.00 179.45 180.53 1dek h ILE 118 N 0.16 0.60 0.02 1.86 2.04 -0.97 -0.23 117.51 120.98 1dek h ILE 118 Ca -0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1dek h ILE 118 Cb 1.52 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 1dek h ILE 118 CO 0.14 0.00 -0.39 0.74 0.00 0.00 0.00 178.15 178.65 1dek h THR 119 N -0.42 0.20 -0.90 -0.27 2.02 -1.24 0.11 112.91 112.41 1dek h THR 119 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.26 1dek h THR 119 Cb 0.38 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 1dek h THR 119 CO -0.03 0.00 0.55 0.44 0.37 0.00 0.00 175.52 176.85 1dek h ASP 120 N -0.56 0.82 -0.24 4.18 3.32 -1.27 0.18 116.42 122.85 1dek h ASP 120 Ca 0.05 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1dek h ASP 120 Cb 0.63 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1dek h ASP 120 CO -0.29 0.48 -0.22 0.58 -1.72 0.00 0.00 179.24 178.08 1dek h VAL 121 N 0.93 1.32 -0.39 -1.35 2.07 -0.19 -3.07 116.25 115.57 1dek h VAL 121 Ca 0.42 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 1dek h VAL 121 Cb 0.32 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1dek h VAL 121 CO -0.22 0.43 0.05 0.40 0.02 0.00 0.00 177.57 178.24 1dek h ILE 122 N 0.28 1.25 -0.21 4.57 1.08 -0.35 -2.94 117.51 121.18 1dek h ILE 122 Ca 0.04 -0.90 0.06 0.00 -0.39 0.00 0.00 64.86 63.67 1dek h ILE 122 Cb 0.77 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 1dek h ILE 122 CO 0.06 0.31 0.15 0.78 -0.69 0.00 0.00 178.15 178.75 1dek h ASN 123 N 0.50 0.00 -0.10 1.72 2.35 -0.71 -0.39 115.58 118.95 1dek h ASN 123 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1dek h ASN 123 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1dek h ASN 123 CO 0.01 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.38 1dek n ASN 124 N -4.44 1.49 -4.62 5.81 3.02 -1.11 -4.79 115.26 110.60 1dek n ASN 124 Ca 0.02 -1.59 -0.38 0.00 -0.03 0.00 0.00 54.58 52.59 1dek n ASN 124 Cb 0.30 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.32 1dek n ASN 124 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dek s ILE 125 N -1.88 5.23 -2.28 2.41 1.01 -0.16 -4.94 121.20 120.59 1dek s ILE 125 Ca 0.35 0.46 0.21 0.00 0.00 0.00 0.00 60.65 61.66 1dek s ILE 125 Cb 0.19 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 39.11 1dek s ILE 125 CO 0.29 0.22 1.09 -0.62 0.00 0.00 0.00 174.94 175.92 1dek n GLU 126 N 4.97 1.71 -0.96 2.79 -0.58 -1.26 -4.99 120.64 122.32 1dek n GLU 126 Ca -0.10 -1.40 -0.29 0.00 -0.42 0.00 0.00 57.16 54.94 1dek n GLU 126 Cb 0.51 -1.40 0.17 0.00 -0.57 0.00 0.00 31.44 30.16 1dek n GLU 126 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1dek s ASP 127 N -1.96 2.69 0.22 1.62 1.01 -1.26 -5.00 116.67 113.99 1dek s ASP 127 Ca 0.21 1.58 -0.24 0.00 0.71 0.00 0.00 52.55 54.81 1dek s ASP 127 Cb 0.17 -2.24 -0.08 0.00 1.01 0.00 0.00 42.92 41.78 1dek s ASP 127 CO 0.36 -3.15 0.80 0.00 0.21 0.00 0.00 175.17 173.40 1dek s GLN 128 N -4.78 4.48 -0.63 8.23 -2.07 -1.26 -5.00 119.66 118.64 1dek s GLN 128 Ca 0.65 1.11 -0.27 0.00 -1.82 0.00 0.00 55.36 55.03 1dek s GLN 128 Cb -0.20 -3.05 0.03 0.00 -1.09 0.00 0.00 33.01 28.70 1dek s GLN 128 CO 0.59 0.46 1.17 -1.58 -1.32 0.00 0.00 175.29 174.61 1dek s TRP 129 N -1.36 2.54 0.44 9.60 0.52 -1.26 -4.80 118.94 124.62 1dek s TRP 129 Ca 0.41 0.18 0.07 0.00 0.02 0.00 0.00 56.10 56.77 1dek s TRP 129 Cb -0.20 -4.48 -0.03 0.00 -1.15 0.00 0.00 33.47 27.61 1dek s TRP 129 CO 0.24 -1.70 0.25 -1.54 0.02 0.00 0.00 176.95 174.22 1dek s SER 130 N 3.20 4.56 0.20 2.95 1.04 -1.26 -0.03 113.70 124.36 1dek s SER 130 Ca 0.38 -1.07 -0.11 0.00 0.48 0.00 0.00 55.95 55.63 1dek s SER 130 Cb -0.09 -0.30 0.17 0.00 0.10 0.00 0.00 66.02 65.90 1dek s SER 130 CO 0.21 -0.67 1.83 0.58 0.98 0.00 0.00 173.24 176.16 1dek h VAL 131 N 1.23 1.05 -0.58 5.02 2.07 -1.52 -1.20 116.25 122.32 1dek h VAL 131 Ca -0.42 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 66.93 1dek h VAL 131 Cb 1.27 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1dek h VAL 131 CO 0.66 0.13 0.25 -0.09 0.02 0.00 0.00 177.57 178.54 1dek h ARG 132 N 0.72 0.45 -0.04 1.57 9.65 -0.91 -1.90 114.38 123.92 1dek h ARG 132 Ca 0.26 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.99 1dek h ARG 132 Cb 0.06 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1dek h ARG 132 CO -0.12 0.30 -0.53 -0.09 2.80 0.00 0.00 179.97 182.32 1dek h ARG 133 N 0.46 0.13 -0.15 0.20 9.65 -1.66 -2.30 114.38 120.71 1dek h ARG 133 Ca 0.28 -0.08 -0.12 0.00 -1.10 0.00 0.00 59.98 58.96 1dek h ARG 133 Cb 0.28 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 1dek h ARG 133 CO -0.25 0.63 -0.45 -0.07 2.80 0.00 0.00 179.97 182.64 1dek h LEU 134 N 0.10 0.37 -0.16 3.80 3.38 -0.70 -1.59 115.31 120.51 1dek h LEU 134 Ca -0.00 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1dek h LEU 134 Cb 0.98 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1dek h LEU 134 CO 0.08 0.77 -0.09 0.24 0.09 0.00 0.00 178.44 179.53 1dek h MET 135 N 0.29 0.34 -0.93 1.13 2.86 -1.15 -1.36 114.93 116.11 1dek h MET 135 Ca 0.02 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1dek h MET 135 Cb 0.90 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.51 1dek h MET 135 CO 0.07 0.67 0.60 1.96 1.06 0.00 0.00 176.91 181.27 1dek h GLN 136 N 0.01 1.23 -0.06 1.72 4.20 -1.38 0.57 115.11 121.39 1dek h GLN 136 Ca 0.03 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 1dek h GLN 136 Cb 0.57 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1dek h GLN 136 CO 0.03 0.82 -0.18 0.00 -0.67 0.00 0.00 178.83 178.83 1dek h ALA 137 N 1.40 0.10 0.16 3.87 0.00 -1.26 -1.04 119.26 122.51 1dek h ALA 137 Ca 0.34 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1dek h ALA 137 Cb -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1dek h ALA 137 CO -0.07 0.05 -0.08 1.25 0.00 0.00 0.00 179.25 180.40 1dek h LEU 138 N -0.29 -0.19 0.59 0.00 5.85 -1.18 0.52 115.31 120.63 1dek h LEU 138 Ca -0.01 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1dek h LEU 138 Cb 0.80 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1dek h LEU 138 CO 0.04 0.18 -0.30 1.23 -0.34 0.00 0.00 178.44 179.25 1dek h GLY 139 N -0.58 -0.89 0.00 3.75 0.00 -0.96 -2.86 103.07 101.53 1dek h GLY 139 Ca -0.02 0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 1dek h GLY 139 CO 0.04 -0.32 -1.00 2.41 0.00 0.00 0.00 176.54 177.67 1dek n THR 140 N -4.26 1.47 -0.35 4.70 -1.04 -0.43 -1.87 114.28 112.51 1dek n THR 140 Ca -0.10 0.09 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 1dek n THR 140 Cb 0.33 -2.28 0.27 0.00 -1.82 0.00 0.00 70.33 66.83 1dek n THR 140 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1dek h ASP 141 N -1.00 0.82 0.00 8.00 3.32 -1.29 -0.88 116.42 125.39 1dek h ASP 141 Ca -0.12 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1dek h ASP 141 Cb 0.90 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1dek h ASP 141 CO -0.07 0.37 0.00 0.18 -1.72 0.00 0.00 179.24 178.00 1dek n LEU 142 N -4.71 0.39 0.11 1.55 4.77 0.16 -4.36 117.00 114.91 1dek n LEU 142 Ca 0.20 0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 1dek n LEU 142 Cb 0.45 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1dek n LEU 142 CO 0.24 -0.18 0.51 0.40 -1.33 0.00 0.00 177.39 177.03 1dek h ILE 143 N 0.00 0.00 -0.02 -0.08 1.08 -1.60 0.75 117.51 117.64 1dek h ILE 143 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 1dek h ILE 143 Cb 0.00 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.72 1dek h ILE 143 CO 0.00 0.00 -0.12 0.58 -0.69 0.00 0.00 178.15 177.92 1dek h VAL 144 N -0.39 0.69 0.00 1.67 2.07 -1.41 0.10 116.25 118.99 1dek h VAL 144 Ca -0.02 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 1dek h VAL 144 Cb 0.34 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1dek h VAL 144 CO -0.03 0.00 -0.42 0.78 0.02 0.00 0.00 177.57 177.92 1dek h ASN 145 N -0.20 0.00 0.00 0.57 2.35 -1.11 -3.20 115.58 113.99 1dek h ASN 145 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1dek h ASN 145 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1dek h ASN 145 CO -0.14 0.42 -0.02 0.59 -1.65 0.00 0.00 177.43 176.63 1dek n ASN 146 N -3.64 0.10 0.01 5.81 3.02 0.26 -4.94 115.26 115.89 1dek n ASN 146 Ca -0.01 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1dek n ASN 146 Cb 0.51 0.69 0.00 0.00 -0.61 0.00 0.00 39.78 40.37 1dek n ASN 146 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1dek n PHE 147 N -0.70 -0.03 -3.20 3.10 3.01 0.11 -4.98 117.46 114.76 1dek n PHE 147 Ca 0.00 0.01 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 1dek n PHE 147 Cb 0.00 0.03 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 1dek n PHE 147 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1dek s ASP 148 N -5.24 -0.95 0.64 4.37 -1.08 0.12 -4.62 116.67 109.91 1dek s ASP 148 Ca 0.00 0.23 0.35 0.00 -0.52 0.00 0.00 52.55 52.61 1dek s ASP 148 Cb 0.00 1.77 1.96 0.00 -1.46 0.00 0.00 42.92 45.19 1dek s ASP 148 CO 0.00 -0.30 2.18 -0.09 0.52 0.00 0.00 175.17 177.48 1dek h ARG 149 N 8.05 0.00 -0.46 4.34 2.43 -1.72 -2.25 114.38 124.78 1dek h ARG 149 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1dek h ARG 149 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1dek h ARG 149 CO 0.21 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.34 1dek n MET 150 N -3.34 3.12 -0.23 0.20 2.81 -1.26 -4.70 117.12 113.72 1dek n MET 150 Ca -0.01 -2.52 -0.01 0.00 -1.81 0.00 0.00 57.70 53.35 1dek n MET 150 Cb 0.22 -1.59 0.10 0.00 -0.71 0.00 0.00 33.22 31.23 1dek n MET 150 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 1dek h TYR 151 N 2.82 0.65 0.00 2.03 3.20 -1.78 -0.72 116.97 123.16 1dek h TYR 151 Ca 0.00 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 1dek h TYR 151 Cb 1.11 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 1dek h TYR 151 CO 0.47 0.30 -0.60 -1.49 -1.64 0.00 0.00 178.16 175.19 1dek h TRP 152 N 0.65 0.00 -0.06 -3.82 4.06 -1.84 -2.55 115.95 112.39 1dek h TRP 152 Ca 0.30 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 61.06 1dek h TRP 152 Cb 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1dek h TRP 152 CO -0.09 0.60 -0.77 0.28 -3.56 0.00 0.00 178.44 174.90 1dek h VAL 153 N 0.00 1.40 -0.77 1.49 2.07 -1.75 -3.00 116.25 115.69 1dek h VAL 153 Ca -0.01 -2.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.28 1dek h VAL 153 Cb 1.14 2.19 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 1dek h VAL 153 CO 0.08 0.67 0.47 0.11 0.02 0.00 0.00 177.57 178.91 1dek h LYS 154 N 0.24 1.04 -0.14 1.57 1.57 -0.95 -1.27 116.57 118.64 1dek h LYS 154 Ca -0.04 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 1dek h LYS 154 Cb 1.36 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1dek h LYS 154 CO 0.13 0.73 -0.45 -0.07 -0.57 0.00 0.00 179.45 179.22 1dek h LEU 155 N 1.05 0.37 -0.39 2.94 3.38 -1.51 -2.31 115.31 118.84 1dek h LEU 155 Ca 0.28 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1dek h LEU 155 Cb -0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1dek h LEU 155 CO -0.05 0.77 0.09 0.15 0.09 0.00 0.00 178.44 179.49 1dek h PHE 156 N 0.28 0.67 -0.83 1.13 3.57 -1.32 -2.57 116.94 117.86 1dek h PHE 156 Ca 0.02 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.48 1dek h PHE 156 Cb 0.91 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 1dek h PHE 156 CO 0.02 0.65 0.52 0.00 -2.23 0.00 0.00 178.31 177.27 1dek h ALA 157 N 0.94 1.11 -0.14 2.41 0.00 -1.09 0.10 119.26 122.60 1dek h ALA 157 Ca 0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1dek h ALA 157 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1dek h ALA 157 CO 0.00 0.30 -0.30 -0.07 0.00 0.00 0.00 179.25 179.18 1dek h LEU 158 N 0.98 0.27 -0.01 0.00 3.38 -1.23 -2.16 115.31 116.54 1dek h LEU 158 Ca 0.35 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1dek h LEU 158 Cb 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1dek h LEU 158 CO -0.14 0.57 -0.07 -0.78 0.09 0.00 0.00 178.44 178.10 1dek h ASP 159 N 0.24 0.08 -0.96 -0.43 3.58 -0.82 -3.16 116.42 114.94 1dek h ASP 159 Ca 0.03 -0.70 0.12 0.00 0.42 0.00 0.00 57.03 56.90 1dek h ASP 159 Cb 0.66 -0.02 -0.08 0.00 1.72 0.00 0.00 39.33 41.60 1dek h ASP 159 CO 0.05 0.77 0.61 0.22 -2.88 0.00 0.00 179.24 178.01 1dek h TYR 160 N -0.60 1.04 0.00 0.28 3.20 -0.78 -0.79 116.97 119.32 1dek h TYR 160 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1dek h TYR 160 Cb 0.77 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1dek h TYR 160 CO 0.17 0.42 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.97 1dek h LEU 161 N 0.91 0.00 0.00 2.82 3.38 -1.45 0.75 115.31 121.73 1dek h LEU 161 Ca 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 1dek h LEU 161 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1dek h LEU 161 CO -0.24 0.07 -0.63 0.44 0.09 0.00 0.00 178.44 178.18 1dek h ASP 162 N 0.00 0.00 0.00 -0.43 3.32 -1.11 -3.39 116.42 114.80 1dek h ASP 162 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dek h ASP 162 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1dek h ASP 162 CO 0.01 0.03 0.00 0.29 -1.72 0.00 0.00 179.24 177.85 1dek n LYS 163 N -2.86 6.62 0.21 3.56 5.02 -0.70 -4.77 118.16 125.24 1dek n LYS 163 Ca 0.01 -0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.44 1dek n LYS 163 Cb 0.56 -0.48 0.76 0.00 -0.02 0.00 0.00 35.03 35.85 1dek n LYS 163 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1dek h PHE 164 N 0.00 0.00 -0.31 2.13 -0.00 0.28 -2.54 116.94 116.49 1dek h PHE 164 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1dek h PHE 164 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1dek h PHE 164 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 178.31 178.58 1dek n ASN 165 N -4.15 2.35 -4.33 -0.68 2.04 -1.26 -4.55 115.26 104.68 1dek n ASN 165 Ca 0.01 -2.17 -0.16 0.00 -0.44 0.00 0.00 54.58 51.82 1dek n ASN 165 Cb 0.25 -0.37 0.05 0.00 -2.53 0.00 0.00 39.78 37.18 1dek n ASN 165 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1dek n SER 166 N 0.42 1.76 -0.58 0.53 3.41 -0.96 -5.00 113.62 113.19 1dek n SER 166 Ca 0.12 -2.25 0.01 0.00 -0.26 0.00 0.00 58.87 56.48 1dek n SER 166 Cb 0.44 -0.31 0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1dek n SER 166 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dek n GLY 167 N -0.59 1.53 3.87 5.00 0.00 -1.26 -4.79 105.19 108.95 1dek n GLY 167 Ca 0.11 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1dek n GLY 167 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dek s TYR 168 N -1.15 3.45 0.03 1.61 2.02 -1.26 -5.00 117.35 117.06 1dek s TYR 168 Ca 0.04 0.93 -0.17 0.00 -0.37 0.00 0.00 57.07 57.50 1dek s TYR 168 Cb 0.03 -2.30 -0.23 0.00 -0.40 0.00 0.00 41.96 39.06 1dek s TYR 168 CO 0.01 0.29 1.14 0.22 -1.57 0.00 0.00 175.55 175.64 1dek h ASP 169 N 2.71 0.70 -4.24 2.29 3.58 -1.77 -3.37 116.42 116.31 1dek h ASP 169 Ca -0.47 -0.75 -0.54 0.00 0.42 0.00 0.00 57.03 55.69 1dek h ASP 169 Cb 1.17 -0.21 -0.23 0.00 1.72 0.00 0.00 39.33 41.78 1dek h ASP 169 CO 0.68 1.35 -0.82 -0.31 -2.88 0.00 0.00 179.24 177.26 1dek s TYR 170 N -3.27 1.70 -0.22 0.28 2.02 -0.44 -1.39 117.35 116.03 1dek s TYR 170 Ca -0.12 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.18 1dek s TYR 170 Cb 0.05 -0.96 0.05 0.00 -0.40 0.00 0.00 41.96 40.71 1dek s TYR 170 CO 0.86 0.15 -0.07 -0.47 -1.57 0.00 0.00 175.55 174.45 1dek s TYR 171 N -1.07 2.40 -0.13 2.71 6.14 -0.13 -1.30 117.35 125.97 1dek s TYR 171 Ca 0.05 -1.68 -0.04 0.00 0.64 0.00 0.00 57.07 56.05 1dek s TYR 171 Cb -0.10 -1.60 -0.03 0.00 0.42 0.00 0.00 41.96 40.65 1dek s TYR 171 CO 0.03 -0.76 0.00 0.42 0.64 0.00 0.00 175.55 175.89 1dek s ILE 172 N 1.40 4.29 -0.40 3.14 -1.09 -0.57 -0.43 121.20 127.54 1dek s ILE 172 Ca -0.04 -0.23 0.02 0.00 -2.23 0.00 0.00 60.65 58.17 1dek s ILE 172 Cb -0.18 -2.86 0.11 0.00 -1.58 0.00 0.00 42.46 37.96 1dek s ILE 172 CO -0.07 0.54 0.14 -0.69 -1.23 0.00 0.00 174.94 173.63 1dek s VAL 173 N -0.24 2.64 -0.79 2.92 1.01 -0.46 -0.22 120.40 125.27 1dek s VAL 173 Ca 0.06 -2.48 0.25 0.00 0.00 0.00 0.00 61.98 59.81 1dek s VAL 173 Cb -0.12 -2.88 0.11 0.00 0.00 0.00 0.00 36.38 33.49 1dek s VAL 173 CO 0.02 -0.67 1.52 -0.81 0.00 0.00 0.00 175.10 175.16 1dek n PRO 174 N 4.10 0.18 -1.90 2.72 -0.04 -1.26 -0.04 135.00 138.75 1dek n PRO 174 Ca 0.03 0.08 -0.26 0.00 -0.04 0.00 0.00 63.50 63.31 1dek n PRO 174 Cb 0.40 -1.64 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 1dek n PRO 174 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1dek n ASP 175 N -1.91 5.44 -4.68 3.54 5.75 -1.26 -4.62 116.55 118.80 1dek n ASP 175 Ca 0.05 -3.76 -0.42 0.00 -0.01 0.00 0.00 54.79 50.65 1dek n ASP 175 Cb 0.40 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 1dek n ASP 175 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1dek s THR 176 N -4.65 3.20 0.00 2.12 2.01 -1.20 -4.76 115.64 112.35 1dek s THR 176 Ca 0.53 0.53 0.00 0.00 0.31 0.00 0.00 61.69 63.07 1dek s THR 176 Cb 0.43 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1dek s THR 176 CO 0.03 -0.02 0.19 0.54 -0.69 0.00 0.00 174.62 174.68 1dek n ARG 177 N 6.11 0.26 -4.92 4.92 5.12 -1.26 -4.72 116.66 122.17 1dek n ARG 177 Ca 0.16 -0.19 -0.26 0.00 -1.93 0.00 0.00 57.85 55.63 1dek n ARG 177 Cb 0.41 -0.64 -0.16 0.00 -1.16 0.00 0.00 32.46 30.91 1dek n ARG 177 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1dek s GLN 178 N -0.09 1.57 0.34 5.56 -1.52 -1.26 -4.45 119.66 119.81 1dek s GLN 178 Ca 0.00 -0.68 0.06 0.00 -1.95 0.00 0.00 55.36 52.80 1dek s GLN 178 Cb 0.00 -1.50 0.73 0.00 -0.22 0.00 0.00 33.01 32.02 1dek s GLN 178 CO 0.00 0.39 1.89 0.22 -0.25 0.00 0.00 175.29 177.54 1dek h ASP 179 N 5.72 0.73 0.88 5.90 3.58 -1.96 -1.51 116.42 129.76 1dek h ASP 179 Ca -0.37 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1dek h ASP 179 Cb 1.15 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1dek h ASP 179 CO 0.48 0.41 0.00 1.12 -2.88 0.00 0.00 179.24 178.37 1dek h HIS 180 N 0.79 0.00 0.08 0.28 2.07 -1.97 -0.26 115.15 116.15 1dek h HIS 180 Ca 0.42 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.69 1dek h HIS 180 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 1dek h HIS 180 CO -0.00 0.00 -1.13 0.93 -3.07 0.00 0.00 177.93 174.66 1dek h GLU 181 N 0.00 0.30 -0.28 5.12 5.08 -1.67 -2.38 114.58 120.75 1dek h GLU 181 Ca 0.00 -0.43 -0.16 0.00 -1.00 0.00 0.00 59.36 57.76 1dek h GLU 181 Cb 0.44 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1dek h GLU 181 CO 0.00 1.17 -0.48 0.52 -1.00 0.00 0.00 179.01 179.21 1dek h MET 182 N 0.11 0.75 -0.22 2.33 2.86 -1.12 -1.37 114.93 118.28 1dek h MET 182 Ca -0.11 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 1dek h MET 182 Cb 1.83 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.52 1dek h MET 182 CO 0.19 1.06 0.14 -0.44 1.06 0.00 0.00 176.91 178.92 1dek h ASP 183 N 0.59 0.26 -0.38 1.22 3.32 -1.08 -0.17 116.42 120.19 1dek h ASP 183 Ca 0.03 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1dek h ASP 183 Cb 1.05 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1dek h ASP 183 CO 0.10 0.21 0.16 0.00 -1.72 0.00 0.00 179.24 177.99 1dek h ALA 184 N 1.06 0.49 -0.48 3.45 0.00 -1.34 -2.31 119.26 120.13 1dek h ALA 184 Ca 0.08 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1dek h ALA 184 Cb -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1dek h ALA 184 CO -0.02 0.08 0.14 0.00 0.00 0.00 0.00 179.25 179.45 1dek h ALA 185 N 1.01 0.56 -0.48 0.00 0.00 -0.99 -2.08 119.26 117.29 1dek h ALA 185 Ca 0.13 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1dek h ALA 185 Cb 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1dek h ALA 185 CO -0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 179.25 178.87 1dek h ARG 186 N 0.30 0.88 -0.78 0.00 3.08 -0.84 0.67 114.38 117.69 1dek h ARG 186 Ca 0.23 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1dek h ARG 186 Cb 0.27 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 1dek h ARG 186 CO -0.26 0.95 0.51 0.00 -1.07 0.00 0.00 179.97 180.10 1dek h ALA 187 N 1.08 1.47 -0.09 0.04 0.00 -1.08 -2.21 119.26 118.47 1dek h ALA 187 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1dek h ALA 187 Cb 0.63 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1dek h ALA 187 CO 0.04 0.49 0.00 -1.33 0.00 0.00 0.00 179.25 178.45 1dek n MET 188 N -4.43 1.36 -1.50 0.00 2.81 -0.81 -4.91 117.12 109.64 1dek n MET 188 Ca 0.09 -0.54 -0.03 0.00 -1.81 0.00 0.00 57.70 55.41 1dek n MET 188 Cb 0.05 -1.32 -0.01 0.00 -0.71 0.00 0.00 33.22 31.23 1dek n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dek n GLY 189 N 0.94 0.45 3.79 3.03 0.00 -0.83 -5.02 105.19 107.54 1dek n GLY 189 Ca 0.14 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1dek n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dek s ALA 190 N -2.12 2.73 -0.08 4.61 0.00 0.22 -4.87 121.76 122.25 1dek s ALA 190 Ca 0.00 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 1dek s ALA 190 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1dek s ALA 190 CO 0.00 -0.71 0.75 0.99 0.00 0.00 0.00 175.76 176.79 1dek s THR 191 N -2.10 5.00 -0.26 0.00 2.01 -0.33 -4.69 115.64 115.27 1dek s THR 191 Ca 0.68 1.53 -0.08 0.00 0.31 0.00 0.00 61.69 64.13 1dek s THR 191 Cb -0.19 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1dek s THR 191 CO 0.29 0.20 0.10 -0.69 -0.69 0.00 0.00 174.62 173.83 1dek s VAL 192 N 1.06 4.53 -0.19 3.82 1.01 -1.26 -1.05 120.40 128.31 1dek s VAL 192 Ca 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1dek s VAL 192 Cb -0.18 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1dek s VAL 192 CO 0.18 0.32 -0.11 -0.63 0.00 0.00 0.00 175.10 174.86 1dek s ILE 193 N 1.64 2.86 -0.14 2.22 1.01 -0.29 -1.06 121.20 127.44 1dek s ILE 193 Ca 0.06 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 1dek s ILE 193 Cb -0.15 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 1dek s ILE 193 CO 0.05 0.48 0.26 -1.00 0.00 0.00 0.00 174.94 174.73 1dek s HIS 194 N 1.27 3.51 -0.33 3.97 3.76 -0.38 -1.68 115.29 125.42 1dek s HIS 194 Ca 0.03 0.60 -0.06 0.00 -0.15 0.00 0.00 55.06 55.48 1dek s HIS 194 Cb -0.14 -2.24 0.03 0.00 1.11 0.00 0.00 32.58 31.34 1dek s HIS 194 CO -0.05 0.38 0.09 0.08 -0.85 0.00 0.00 174.74 174.39 1dek s VAL 195 N -0.00 3.75 -0.12 -0.90 1.01 0.39 0.64 120.40 125.17 1dek s VAL 195 Ca 0.16 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1dek s VAL 195 Cb -0.13 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1dek s VAL 195 CO 0.04 -0.12 -0.18 -0.69 0.00 0.00 0.00 175.10 174.15 1dek s VAL 196 N 1.41 2.58 -0.32 2.92 1.01 -0.60 -4.44 120.40 122.95 1dek s VAL 196 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1dek s VAL 196 Cb -0.19 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1dek s VAL 196 CO 0.02 0.54 0.20 -0.60 0.00 0.00 0.00 175.10 175.26 1dek s ARG 197 N 0.42 3.46 -0.42 2.72 3.52 -1.26 0.16 118.95 127.56 1dek s ARG 197 Ca -0.13 -0.65 -0.43 0.00 -0.13 0.00 0.00 55.73 54.39 1dek s ARG 197 Cb -0.17 -3.70 -0.17 0.00 -1.56 0.00 0.00 34.95 29.35 1dek s ARG 197 CO 0.06 -0.41 1.83 -2.30 -0.81 0.00 0.00 175.30 173.66 1dek n PRO 198 N 5.05 0.47 -3.47 5.12 -0.02 -1.26 -2.84 135.00 138.05 1dek n PRO 198 Ca -0.13 0.16 -0.22 0.00 -2.02 0.00 0.00 63.50 61.29 1dek n PRO 198 Cb 0.50 -1.79 0.04 0.00 -0.02 0.00 0.00 33.50 32.23 1dek n PRO 198 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dek n GLY 199 N 5.11 -1.10 3.24 -1.23 0.00 -1.26 -5.04 105.19 104.91 1dek n GLY 199 Ca 0.36 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.74 1dek n GLY 199 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dek s GLN 200 N -5.02 1.02 0.29 1.61 0.74 -1.13 -5.17 119.66 111.99 1dek s GLN 200 Ca 0.38 -1.36 0.02 0.00 0.05 0.00 0.00 55.36 54.45 1dek s GLN 200 Cb -0.10 -0.65 -0.05 0.00 1.10 0.00 0.00 33.01 33.30 1dek s GLN 200 CO 0.81 0.09 0.09 -1.59 -0.55 0.00 0.00 175.29 174.14 1dek s LYS 201 N -3.40 1.51 -0.18 1.67 0.00 -1.26 -4.98 119.74 113.10 1dek s LYS 201 Ca 0.13 -1.83 -0.14 0.00 0.00 0.00 0.00 55.97 54.13 1dek s LYS 201 Cb 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 37.83 37.33 1dek s LYS 201 CO 0.01 -0.28 0.33 -1.54 0.00 0.00 0.00 175.35 173.87 1dek s SER 202 N -3.38 6.43 -0.16 0.03 1.04 -1.26 -4.85 113.70 111.55 1dek s SER 202 Ca 0.37 0.50 0.02 0.00 0.48 0.00 0.00 55.95 57.32 1dek s SER 202 Cb 0.08 -2.20 0.27 0.00 0.10 0.00 0.00 66.02 64.27 1dek s SER 202 CO 0.14 0.04 1.28 0.59 0.98 0.00 0.00 173.24 176.28 1dek n ASN 203 N 3.90 3.21 -3.96 7.02 5.03 -1.26 -4.73 115.26 124.47 1dek n ASN 203 Ca -0.11 -2.57 -0.21 0.00 0.87 0.00 0.00 54.58 52.56 1dek n ASN 203 Cb 0.52 -0.62 -0.16 0.00 -1.02 0.00 0.00 39.78 38.49 1dek n ASN 203 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1dek s ASP 204 N 0.03 1.22 0.00 6.41 -1.08 -1.26 -5.03 116.67 116.95 1dek s ASP 204 Ca 0.22 -0.19 0.27 0.00 -0.52 0.00 0.00 52.55 52.33 1dek s ASP 204 Cb 0.18 -0.50 0.88 0.00 -1.46 0.00 0.00 42.92 42.01 1dek s ASP 204 CO 0.05 0.01 1.65 0.35 0.52 0.00 0.00 175.17 177.74 1dek n THR 205 N 3.74 0.00 -1.70 1.71 -2.24 -1.26 -4.63 114.28 109.90 1dek n THR 205 Ca -0.23 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.08 1dek n THR 205 Cb 0.52 0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1dek n THR 205 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1dek n HIS 206 N -0.94 1.95 0.08 4.78 -0.00 -1.26 -4.86 115.22 114.97 1dek n HIS 206 Ca 0.11 0.46 0.18 0.00 -0.00 0.00 0.00 57.72 58.47 1dek n HIS 206 Cb 0.32 -2.32 0.71 0.00 -0.00 0.00 0.00 29.99 28.70 1dek n HIS 206 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 1dek h ILE 207 N 1.50 0.71 0.00 3.57 2.10 -1.96 -1.54 117.51 121.89 1dek h ILE 207 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.45 1dek h ILE 207 Cb 1.31 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 1dek h ILE 207 CO 0.57 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.99 1dek n THR 208 N -4.28 0.00 0.27 2.19 -2.24 -1.26 -2.59 114.28 106.37 1dek n THR 208 Ca 0.06 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.87 1dek n THR 208 Cb 0.49 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.34 1dek n THR 208 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dek n GLU 209 N -0.77 4.32 -2.51 -0.78 -0.58 -0.58 -4.86 120.64 114.88 1dek n GLU 209 Ca 0.11 -0.14 -0.34 0.00 -0.42 0.00 0.00 57.16 56.37 1dek n GLU 209 Cb 0.05 -0.82 -0.03 0.00 -0.57 0.00 0.00 31.44 30.07 1dek n GLU 209 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dek s ALA 210 N -1.37 2.85 0.15 0.62 0.00 -1.07 -4.53 121.76 118.41 1dek s ALA 210 Ca 0.03 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 1dek s ALA 210 Cb 0.04 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 1dek s ALA 210 CO 0.21 -0.37 1.21 0.20 0.00 0.00 0.00 175.76 177.01 1dek s GLY 211 N -1.95 2.55 0.31 0.00 0.00 -1.26 -4.90 107.32 102.07 1dek s GLY 211 Ca 0.68 0.94 -0.23 0.00 0.00 0.00 0.00 44.72 46.10 1dek s GLY 211 CO 0.21 1.94 0.88 1.08 0.00 0.00 0.00 173.10 177.21 1dek s LEU 212 N 0.22 4.29 0.46 0.66 1.43 -1.26 -5.03 118.68 119.45 1dek s LEU 212 Ca 0.55 1.68 -0.25 0.00 -1.03 0.00 0.00 54.13 55.09 1dek s LEU 212 Cb -0.32 -3.95 -0.08 0.00 0.03 0.00 0.00 46.19 41.87 1dek s LEU 212 CO 0.34 -0.07 1.36 -2.84 0.23 0.00 0.00 176.35 175.37 1dek s PRO 213 N -2.18 3.65 -0.33 1.29 0.02 -1.26 -4.98 135.00 131.21 1dek s PRO 213 Ca 0.50 2.26 -0.16 0.00 0.02 0.00 0.00 61.00 63.61 1dek s PRO 213 Cb -0.17 -2.58 -0.01 0.00 0.02 0.00 0.00 34.50 31.76 1dek s PRO 213 CO 0.22 -0.79 0.43 0.42 -0.33 0.00 0.00 177.00 176.94 1dek s ILE 214 N -1.26 5.11 0.28 2.83 1.01 -1.26 -5.06 121.20 122.84 1dek s ILE 214 Ca 0.62 0.27 0.08 0.00 0.00 0.00 0.00 60.65 61.62 1dek s ILE 214 Cb -0.40 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1dek s ILE 214 CO 0.51 -0.09 0.16 -0.13 0.00 0.00 0.00 174.94 175.39 1dek s ARG 215 N 2.18 2.71 0.24 2.79 1.81 -1.26 -5.03 118.95 122.38 1dek s ARG 215 Ca 0.15 -1.22 -0.31 0.00 -1.72 0.00 0.00 55.73 52.63 1dek s ARG 215 Cb -0.16 -2.43 -0.14 0.00 -0.45 0.00 0.00 34.95 31.78 1dek s ARG 215 CO 0.12 0.32 1.34 -0.40 -0.68 0.00 0.00 175.30 176.00 1dek n ASP 216 N -1.14 2.46 0.00 0.23 5.75 -1.26 -1.07 116.55 121.52 1dek n ASP 216 Ca -0.06 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 55.87 1dek n ASP 216 Cb 0.59 -1.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.29 1dek n ASP 216 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dek n GLY 217 N 1.99 3.23 3.77 6.12 0.00 -1.26 -5.03 105.19 114.00 1dek n GLY 217 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1dek n GLY 217 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dek s ASP 218 N -0.11 6.09 0.21 1.61 1.01 -0.23 -4.78 116.67 120.47 1dek s ASP 218 Ca 0.00 2.34 -0.04 0.00 0.71 0.00 0.00 52.55 55.56 1dek s ASP 218 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1dek s ASP 218 CO 0.00 -0.97 0.44 -0.76 0.21 0.00 0.00 175.17 174.09 1dek s LEU 219 N -3.07 4.19 -0.06 1.23 1.43 -0.22 -4.94 118.68 117.24 1dek s LEU 219 Ca 0.64 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 54.34 1dek s LEU 219 Cb -0.29 -3.36 0.02 0.00 0.03 0.00 0.00 46.19 42.59 1dek s LEU 219 CO 0.36 -0.06 -0.06 -0.69 0.23 0.00 0.00 176.35 176.13 1dek s VAL 220 N -1.85 0.69 -0.29 -1.59 1.01 -1.26 -1.25 120.40 115.86 1dek s VAL 220 Ca 0.42 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 1dek s VAL 220 Cb -0.11 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1dek s VAL 220 CO 0.27 0.27 0.10 -0.63 0.00 0.00 0.00 175.10 175.11 1dek s ILE 221 N 1.06 4.21 -0.32 2.22 1.01 0.21 -4.94 121.20 124.65 1dek s ILE 221 Ca -0.08 -0.50 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 1dek s ILE 221 Cb -0.14 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.22 1dek s ILE 221 CO -0.01 0.14 0.84 -0.89 0.00 0.00 0.00 174.94 175.03 1dek s THR 222 N 1.56 4.73 -1.19 2.92 2.01 -1.26 -1.56 115.64 122.84 1dek s THR 222 Ca 0.04 1.25 -0.11 0.00 0.31 0.00 0.00 61.69 63.18 1dek s THR 222 Cb -0.17 -4.21 0.21 0.00 0.01 0.00 0.00 72.50 68.34 1dek s THR 222 CO 0.04 -0.32 1.44 -3.20 -0.69 0.00 0.00 174.62 171.88 1dek n ASN 223 N 6.37 5.37 -1.26 3.53 5.15 0.42 -4.73 115.26 130.11 1dek n ASN 223 Ca 0.05 -3.05 -0.03 0.00 -0.60 0.00 0.00 54.58 50.95 1dek n ASN 223 Cb 0.48 -1.49 0.22 0.00 -0.53 0.00 0.00 39.78 38.46 1dek n ASN 223 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1dek n ASP 224 N 4.30 3.15 0.00 1.20 5.68 -1.26 -4.34 116.55 125.28 1dek n ASP 224 Ca 0.33 -3.51 0.00 0.00 -0.50 0.00 0.00 54.79 51.11 1dek n ASP 224 Cb 0.40 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1dek n ASP 224 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dek n GLY 225 N -0.90 3.68 3.50 6.12 0.00 -1.26 -5.09 105.19 111.24 1dek n GLY 225 Ca 0.33 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1dek n GLY 225 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dek s SER 226 N 1.93 0.63 -0.05 1.61 0.15 -1.26 -4.94 113.70 111.78 1dek s SER 226 Ca 0.00 1.02 -0.23 0.00 0.70 0.00 0.00 55.95 57.44 1dek s SER 226 Cb 0.00 -1.53 -0.28 0.00 -1.71 0.00 0.00 66.02 62.50 1dek s SER 226 CO 0.00 -4.34 0.94 0.25 1.20 0.00 0.00 173.24 171.28 1dek h LEU 227 N -2.73 0.38 -1.29 3.45 5.85 -2.02 -2.84 115.31 116.12 1dek h LEU 227 Ca -0.51 -0.90 -0.04 0.00 0.84 0.00 0.00 57.88 57.27 1dek h LEU 227 Cb 1.33 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1dek h LEU 227 CO 0.42 1.24 -0.20 -0.33 -0.34 0.00 0.00 178.44 179.23 1dek h GLU 228 N -0.42 0.00 -0.08 1.25 3.07 -1.97 0.36 114.58 116.79 1dek h GLU 228 Ca -0.09 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.68 1dek h GLU 228 Cb 1.40 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.30 1dek h GLU 228 CO 0.11 0.20 -0.35 0.93 -1.40 0.00 0.00 179.01 178.50 1dek h GLU 229 N 0.00 0.17 0.02 2.33 5.08 -1.93 0.44 114.58 120.69 1dek h GLU 229 Ca -0.00 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1dek h GLU 229 Cb 0.66 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.92 1dek h GLU 229 CO 0.03 0.51 -0.58 1.25 -1.00 0.00 0.00 179.01 179.22 1dek h LEU 230 N 0.15 0.47 -1.66 1.33 5.85 -0.93 -2.40 115.31 118.12 1dek h LEU 230 Ca 0.02 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 57.94 1dek h LEU 230 Cb 0.70 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1dek h LEU 230 CO 0.05 1.21 0.11 -0.26 -0.34 0.00 0.00 178.44 179.21 1dek h PHE 231 N -0.20 0.32 -0.14 1.25 0.04 -0.02 -0.68 116.94 117.51 1dek h PHE 231 Ca -0.08 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.56 1dek h PHE 231 Cb 1.31 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1dek h PHE 231 CO 0.16 0.25 -0.41 0.77 -0.60 0.00 0.00 178.31 178.48 1dek h SER 232 N 0.33 0.61 -0.76 2.17 0.02 -0.13 -2.39 113.55 113.40 1dek h SER 232 Ca 0.09 -0.59 0.05 0.00 -0.84 0.00 0.00 61.79 60.49 1dek h SER 232 Cb 0.06 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 1dek h SER 232 CO -0.01 1.09 0.50 0.11 -1.14 0.00 0.00 176.83 177.38 1dek h LYS 233 N 0.15 0.85 0.07 3.45 1.57 -0.85 -0.35 116.57 121.46 1dek h LYS 233 Ca -0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1dek h LYS 233 Cb 1.03 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1dek h LYS 233 CO 0.09 0.56 -0.03 0.82 -0.57 0.00 0.00 179.45 180.32 1dek h ILE 234 N 0.87 1.17 -0.32 1.86 2.04 -1.08 -1.14 117.51 120.91 1dek h ILE 234 Ca 0.32 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.38 1dek h ILE 234 Cb 0.15 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 1dek h ILE 234 CO -0.10 0.21 -0.01 0.11 0.00 0.00 0.00 178.15 178.36 1dek h LYS 235 N -0.48 0.08 0.00 2.37 1.57 -0.99 0.43 116.57 119.55 1dek h LYS 235 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1dek h LYS 235 Cb 0.42 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1dek h LYS 235 CO 0.02 0.05 0.00 -0.91 -0.57 0.00 0.00 179.45 178.04 1dek h ASN 236 N 0.08 0.00 0.38 0.86 -0.26 -1.07 0.26 115.58 115.83 1dek h ASN 236 Ca 0.15 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.58 1dek h ASN 236 Cb 0.21 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.49 1dek h ASN 236 CO -0.27 0.00 -1.44 0.74 -1.06 0.00 0.00 177.43 175.40 1dek h THR 237 N 0.00 1.30 0.06 2.81 2.02 0.13 -3.28 112.91 115.95 1dek h THR 237 Ca 0.00 -2.80 -0.26 0.00 0.77 0.00 0.00 66.41 64.12 1dek h THR 237 Cb 0.56 2.97 0.01 0.00 -1.74 0.00 0.00 68.15 69.95 1dek h THR 237 CO 0.00 0.84 -1.09 -0.07 0.37 0.00 0.00 175.52 175.57 1dek h LEU 238 N 0.12 0.63 -1.24 2.58 3.38 -0.75 -3.21 115.31 116.82 1dek h LEU 238 Ca -0.23 -0.55 0.19 0.00 0.09 0.00 0.00 57.88 57.38 1dek h LEU 238 Cb 2.10 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 42.56 1dek h LEU 238 CO 0.24 1.37 0.61 0.07 0.09 0.00 0.00 178.44 180.82 1dek h LYS 239 N 0.22 0.61 0.00 1.13 2.10 -0.59 0.52 116.57 120.57 1dek h LYS 239 Ca -0.12 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1dek h LYS 239 Cb 1.75 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 32.95 1dek h LYS 239 CO 0.19 0.40 -0.01 0.28 -2.00 0.00 0.00 179.45 178.32 1dek h VAL 240 N 0.63 0.09 -0.00 0.07 2.07 -1.61 -3.51 116.25 113.99 1dek h VAL 240 Ca 0.52 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.91 1dek h VAL 240 Cb 0.98 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1dek h VAL 240 CO -0.28 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.32