#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pek s ALA 2 N 0.00 -0.53 -0.23 0.00 0.00 -1.26 -1.86 121.76 117.88 1pek s ALA 2 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1pek s ALA 2 Cb 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.92 1pek s ALA 2 CO 0.00 -0.14 -0.14 -1.14 0.00 0.00 0.00 175.76 174.34 1pek s GLN 3 N -0.28 2.48 0.44 0.00 0.74 0.51 -4.92 119.66 118.63 1pek s GLN 3 Ca -0.04 -1.16 -0.23 0.00 0.05 0.00 0.00 55.36 53.98 1pek s GLN 3 Cb -0.03 -2.77 -0.08 0.00 1.10 0.00 0.00 33.01 31.23 1pek s GLN 3 CO 0.01 -0.45 1.09 -0.08 -0.55 0.00 0.00 175.29 175.31 1pek s THR 4 N 1.17 3.50 -1.41 -0.34 -1.32 -1.26 0.26 115.64 116.24 1pek s THR 4 Ca -0.04 1.10 -0.12 0.00 -1.21 0.00 0.00 61.69 61.41 1pek s THR 4 Cb -0.18 -3.54 0.02 0.00 -1.51 0.00 0.00 72.50 67.29 1pek s THR 4 CO -0.08 -0.05 0.29 0.59 -2.21 0.00 0.00 174.62 173.17 1pek n ASN 5 N -0.41 -1.05 -4.84 8.08 5.03 -0.99 -4.92 115.26 116.16 1pek n ASN 5 Ca 0.07 -1.25 -0.29 0.00 0.87 0.00 0.00 54.58 53.97 1pek n ASN 5 Cb 0.50 -1.81 0.09 0.00 -1.02 0.00 0.00 39.78 37.54 1pek n ASN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pek s ALA 6 N -4.03 2.37 0.47 5.41 0.00 0.94 -4.98 121.76 121.94 1pek s ALA 6 Ca 0.18 -0.45 -0.24 0.00 0.00 0.00 0.00 51.96 51.45 1pek s ALA 6 Cb -0.10 -3.03 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 1pek s ALA 6 CO 0.98 -1.74 1.37 -2.14 0.00 0.00 0.00 175.76 174.22 1pek s PRO 7 N -5.35 3.57 0.31 0.00 0.02 -1.26 -4.80 135.00 127.49 1pek s PRO 7 Ca 0.61 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.94 1pek s PRO 7 Cb -0.13 -2.53 0.80 0.00 0.02 0.00 0.00 34.50 32.66 1pek s PRO 7 CO 0.52 -0.86 1.57 0.11 -0.33 0.00 0.00 177.00 178.01 1pek h TRP 8 N 2.10 -0.01 -0.08 6.54 5.08 -1.91 0.11 115.95 127.78 1pek h TRP 8 Ca -0.51 0.07 -0.11 0.00 1.08 0.00 0.00 58.89 59.42 1pek h TRP 8 Cb 1.27 0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 27.59 1pek h TRP 8 CO 0.49 -0.45 -0.46 0.78 -1.28 0.00 0.00 178.44 177.53 1pek h GLY 9 N 0.00 0.21 0.98 11.11 0.00 -1.92 0.67 103.07 114.12 1pek h GLY 9 Ca 0.62 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.63 1pek h GLY 9 CO -0.93 0.19 -0.22 1.41 0.00 0.00 0.00 176.54 176.98 1pek h LEU 10 N 0.15 0.77 -0.81 3.11 3.38 -1.34 -2.60 115.31 117.97 1pek h LEU 10 Ca 0.01 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 1pek h LEU 10 Cb 0.87 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1pek h LEU 10 CO 0.07 1.04 0.12 0.00 0.09 0.00 0.00 178.44 179.76 1pek h ALA 11 N 0.76 1.02 -0.39 1.53 0.00 -0.94 -3.12 119.26 118.13 1pek h ALA 11 Ca 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1pek h ALA 11 Cb 0.78 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1pek h ALA 11 CO 0.06 0.63 0.23 -0.09 0.00 0.00 0.00 179.25 180.08 1pek h ARG 12 N 0.96 0.53 0.00 0.00 9.65 0.49 -3.01 114.38 122.99 1pek h ARG 12 Ca 0.20 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1pek h ARG 12 Cb 0.39 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1pek h ARG 12 CO 0.01 0.40 -0.08 0.82 2.80 0.00 0.00 179.97 183.91 1pek h ILE 13 N 0.50 0.74 -0.30 1.20 2.04 -1.41 -2.77 117.51 117.53 1pek h ILE 13 Ca 0.14 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1pek h ILE 13 Cb 0.01 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1pek h ILE 13 CO -0.03 0.08 0.00 -1.54 0.00 0.00 0.00 178.15 176.67 1pek n SER 14 N -3.97 4.02 -4.10 1.72 3.41 -1.16 -0.46 113.62 113.08 1pek n SER 14 Ca -0.02 -2.96 -0.19 0.00 -0.26 0.00 0.00 58.87 55.44 1pek n SER 14 Cb 0.17 -0.54 -0.13 0.00 -0.26 0.00 0.00 64.21 63.45 1pek n SER 14 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pek s SER 15 N -1.78 1.42 0.00 4.04 0.15 -1.04 -4.72 113.70 111.77 1pek s SER 15 Ca 0.43 -0.40 0.23 0.00 0.70 0.00 0.00 55.95 56.91 1pek s SER 15 Cb 0.34 -0.09 0.09 0.00 -1.71 0.00 0.00 66.02 64.65 1pek s SER 15 CO 0.10 0.02 1.13 1.07 1.20 0.00 0.00 173.24 176.76 1pek n THR 16 N 2.08 0.00 -4.01 6.45 5.66 -1.26 -4.87 114.28 118.32 1pek n THR 16 Ca -0.17 -0.05 -0.12 0.00 -3.05 0.00 0.00 64.05 60.66 1pek n THR 16 Cb 0.55 0.79 -0.12 0.00 -1.55 0.00 0.00 70.33 70.00 1pek n THR 16 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1pek s SER 17 N -2.87 0.47 0.79 1.09 1.04 -1.26 -5.08 113.70 107.88 1pek s SER 17 Ca 0.12 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 56.03 1pek s SER 17 Cb 0.17 0.05 0.07 0.00 0.10 0.00 0.00 66.02 66.40 1pek s SER 17 CO 0.74 -0.19 1.12 -2.16 0.98 0.00 0.00 173.24 173.73 1pek s PRO 18 N -1.16 2.11 0.00 4.02 0.04 -1.26 -4.35 135.00 134.40 1pek s PRO 18 Ca -0.10 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1pek s PRO 18 Cb -0.08 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1pek s PRO 18 CO -0.00 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 175.89 1pek n GLY 19 N -2.54 0.77 3.93 0.56 0.00 -1.26 -5.07 105.19 101.57 1pek n GLY 19 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1pek n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pek s THR 20 N -2.64 3.66 0.00 2.61 -4.23 -1.26 -5.02 115.64 108.75 1pek s THR 20 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1pek s THR 20 Cb 0.00 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1pek s THR 20 CO 0.00 -0.40 0.39 -1.54 -0.54 0.00 0.00 174.62 172.53 1pek n SER 21 N -2.45 0.77 -4.83 3.99 3.41 -1.26 -4.78 113.62 108.47 1pek n SER 21 Ca 0.04 -1.01 -0.36 0.00 -0.26 0.00 0.00 58.87 57.28 1pek n SER 21 Cb 0.58 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 1pek n SER 21 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pek s THR 22 N -0.01 5.19 -0.22 6.66 2.01 -1.26 -0.04 115.64 127.98 1pek s THR 22 Ca 0.00 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.93 1pek s THR 22 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1pek s THR 22 CO 0.00 0.56 0.11 -0.47 -0.69 0.00 0.00 174.62 174.13 1pek s TYR 23 N -1.05 3.26 -0.13 4.92 5.04 0.14 -4.30 117.35 125.24 1pek s TYR 23 Ca 0.17 0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 1pek s TYR 23 Cb -0.12 -2.19 -0.01 0.00 0.35 0.00 0.00 41.96 39.99 1pek s TYR 23 CO 0.06 0.05 -0.16 0.71 -1.34 0.00 0.00 175.55 174.87 1pek s TYR 24 N 0.84 2.74 0.16 4.97 2.02 -1.26 -0.36 117.35 126.45 1pek s TYR 24 Ca 0.06 -0.82 -0.15 0.00 -0.37 0.00 0.00 57.07 55.79 1pek s TYR 24 Cb -0.13 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1pek s TYR 24 CO 0.02 -0.31 0.41 1.52 -1.57 0.00 0.00 175.55 175.62 1pek s TYR 25 N 0.42 -0.01 0.15 2.71 1.13 -0.78 -4.69 117.35 116.27 1pek s TYR 25 Ca -0.12 -0.33 -0.30 0.00 -1.41 0.00 0.00 57.07 54.91 1pek s TYR 25 Cb -0.16 0.22 -0.07 0.00 -1.10 0.00 0.00 41.96 40.85 1pek s TYR 25 CO 0.06 -0.78 0.99 0.34 -2.51 0.00 0.00 175.55 173.64 1pek s ASP 26 N -2.87 7.47 0.62 -0.18 -1.08 -1.26 0.56 116.67 119.92 1pek s ASP 26 Ca 0.09 1.88 0.30 0.00 -0.52 0.00 0.00 52.55 54.30 1pek s ASP 26 Cb 0.01 -2.60 1.63 0.00 -1.46 0.00 0.00 42.92 40.51 1pek s ASP 26 CO -0.06 -0.07 1.99 -0.33 0.52 0.00 0.00 175.17 177.23 1pek h GLU 27 N 5.25 0.00 -0.77 4.34 3.07 -2.00 -0.42 114.58 124.04 1pek h GLU 27 Ca -0.44 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 58.58 1pek h GLU 27 Cb 1.21 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.07 1pek h GLU 27 CO 0.71 0.00 0.51 0.66 -1.40 0.00 0.00 179.01 179.50 1pek h SER 28 N 0.00 0.38 -7.12 1.42 4.64 -1.98 -3.47 113.55 107.43 1pek h SER 28 Ca 0.10 0.02 -0.62 0.00 -0.47 0.00 0.00 61.79 60.82 1pek h SER 28 Cb 0.75 -0.05 -0.25 0.00 -0.31 0.00 0.00 62.40 62.53 1pek h SER 28 CO -0.00 0.19 -0.95 0.00 -0.87 0.00 0.00 176.83 175.20 1pek n ALA 29 N -2.52 -1.81 -0.89 5.18 0.00 -0.17 0.14 120.51 120.44 1pek n ALA 29 Ca 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1pek n ALA 29 Cb 0.55 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1pek n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pek n GLY 30 N -2.21 1.15 3.77 0.00 0.00 -1.26 -1.31 105.19 105.33 1pek n GLY 30 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1pek n GLY 30 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pek s GLN 31 N -0.03 3.86 0.00 1.61 -2.07 0.12 -2.33 119.66 120.82 1pek s GLN 31 Ca 0.00 2.18 0.00 0.00 -1.82 0.00 0.00 55.36 55.72 1pek s GLN 31 Cb 0.00 -2.69 0.00 0.00 -1.09 0.00 0.00 33.01 29.23 1pek s GLN 31 CO 0.00 -0.59 0.00 0.41 -1.32 0.00 0.00 175.29 173.79 1pek n GLY 32 N 0.64 2.06 3.97 2.60 0.00 -1.26 -4.81 105.19 108.38 1pek n GLY 32 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1pek n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pek s SER 33 N -1.46 6.21 0.02 1.61 1.04 -0.98 -0.87 113.70 119.26 1pek s SER 33 Ca 0.00 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.55 1pek s SER 33 Cb 0.00 -1.72 -0.02 0.00 0.10 0.00 0.00 66.02 64.38 1pek s SER 33 CO 0.00 -0.22 -0.13 0.00 0.98 0.00 0.00 173.24 173.87 1pek s VAL 35 N -0.63 0.38 -0.31 0.00 1.01 -0.26 -1.17 120.40 119.42 1pek s VAL 35 Ca 0.02 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 1pek s VAL 35 Cb -0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 1pek s VAL 35 CO 0.00 0.24 0.52 -0.31 0.00 0.00 0.00 175.10 175.55 1pek s TYR 36 N 1.61 3.22 -0.40 5.22 1.51 0.15 -0.23 117.35 128.42 1pek s TYR 36 Ca -0.01 0.40 -0.14 0.00 -1.01 0.00 0.00 57.07 56.31 1pek s TYR 36 Cb -0.13 -2.85 0.02 0.00 -0.11 0.00 0.00 41.96 38.90 1pek s TYR 36 CO -0.04 -0.43 0.29 0.08 -1.11 0.00 0.00 175.55 174.35 1pek s VAL 37 N 2.38 5.17 -0.54 0.71 1.01 0.25 -0.82 120.40 128.56 1pek s VAL 37 Ca 0.20 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1pek s VAL 37 Cb -0.15 -3.87 0.09 0.00 0.00 0.00 0.00 36.38 32.44 1pek s VAL 37 CO 0.12 -0.29 0.61 -0.63 0.00 0.00 0.00 175.10 174.90 1pek s ILE 38 N 1.66 4.95 0.00 2.22 1.01 -0.87 -1.83 121.20 128.35 1pek s ILE 38 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1pek s ILE 38 Cb -0.19 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 37.92 1pek s ILE 38 CO 0.10 -0.92 0.00 -0.67 0.00 0.00 0.00 174.94 173.44 1pek n ASP 39 N 5.98 2.75 -0.16 3.58 -0.08 -0.28 -4.41 116.55 123.93 1pek n ASP 39 Ca -0.10 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.32 1pek n ASP 39 Cb 0.43 0.00 0.57 0.00 2.34 0.00 0.00 41.12 44.46 1pek n ASP 39 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1pek n THR 40 N 0.00 0.00 0.00 5.18 -2.24 -1.26 0.45 114.28 116.41 1pek n THR 40 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1pek n THR 40 Cb 0.00 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1pek n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pek n GLY 41 N 1.28 -1.48 2.98 3.38 0.00 -1.26 -4.03 105.19 106.05 1pek n GLY 41 Ca 0.14 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 1pek n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pek s ILE 42 N -0.68 0.02 -1.20 -0.61 1.01 -1.26 -3.47 121.20 115.01 1pek s ILE 42 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 1pek s ILE 42 Cb 0.00 -0.18 0.12 0.00 0.01 0.00 0.00 42.46 42.41 1pek s ILE 42 CO 0.00 -0.11 1.53 -0.70 0.00 0.00 0.00 174.94 175.66 1pek s GLU 43 N -0.32 3.96 0.50 2.79 2.12 -1.26 -4.48 118.70 122.01 1pek s GLU 43 Ca -0.04 -2.15 0.29 0.00 0.36 0.00 0.00 54.97 53.44 1pek s GLU 43 Cb -0.03 -5.27 1.39 0.00 0.26 0.00 0.00 34.13 30.49 1pek s GLU 43 CO 0.00 -2.00 1.84 0.00 -0.54 0.00 0.00 175.26 174.56 1pek h ALA 44 N 7.70 2.75 -0.00 6.30 0.00 -1.97 -1.11 119.26 132.93 1pek h ALA 44 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1pek h ALA 44 Cb 0.90 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1pek h ALA 44 CO 1.34 -1.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 1pek n SER 45 N -4.33 0.04 -4.73 0.00 3.41 -1.26 -4.47 113.62 102.29 1pek n SER 45 Ca 0.22 -1.04 -0.42 0.00 -0.26 0.00 0.00 58.87 57.37 1pek n SER 45 Cb 1.01 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 1pek n SER 45 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1pek s HIS 46 N -2.00 3.10 0.54 7.33 2.46 -0.42 -4.86 115.29 121.44 1pek s HIS 46 Ca 0.46 0.84 0.36 0.00 0.47 0.00 0.00 55.06 57.19 1pek s HIS 46 Cb 0.21 -3.83 1.53 0.00 -0.13 0.00 0.00 32.58 30.37 1pek s HIS 46 CO 0.36 -2.90 1.81 -1.00 -2.47 0.00 0.00 174.74 170.54 1pek h PRO 47 N 6.25 0.02 0.00 2.88 0.13 -1.90 -1.03 132.00 138.35 1pek h PRO 47 Ca -0.43 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1pek h PRO 47 Cb 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pek h PRO 47 CO 0.86 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 179.03 1pek n GLU 48 N -4.20 0.03 -0.00 0.86 -0.58 -1.26 -1.35 120.64 114.13 1pek n GLU 48 Ca 0.25 0.20 0.08 0.00 -0.42 0.00 0.00 57.16 57.27 1pek n GLU 48 Cb 1.21 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 30.48 1pek n GLU 48 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1pek n PHE 49 N -1.47 0.00 -4.34 -0.32 3.72 -0.39 0.44 117.46 115.10 1pek n PHE 49 Ca 0.05 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.06 1pek n PHE 49 Cb 0.19 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.68 1pek n PHE 49 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1pek n GLU 50 N -1.41 -2.18 -0.91 -1.08 1.02 -0.46 0.35 120.64 115.97 1pek n GLU 50 Ca 0.03 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1pek n GLU 50 Cb 0.27 -4.88 0.00 0.00 -0.02 0.00 0.00 31.44 26.81 1pek n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pek n GLY 51 N -1.34 0.84 0.15 0.62 0.00 -1.26 -4.87 105.19 99.32 1pek n GLY 51 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 1pek n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pek n ARG 52 N -2.00 1.19 -4.38 1.61 1.74 0.16 -4.88 116.66 110.10 1pek n ARG 52 Ca 0.00 -0.30 -0.26 0.00 -0.77 0.00 0.00 57.85 56.52 1pek n ARG 52 Cb 0.00 -1.08 -0.13 0.00 -1.02 0.00 0.00 32.46 30.23 1pek n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pek s ALA 53 N -1.89 1.95 -0.09 7.54 0.00 -1.26 -1.23 121.76 126.77 1pek s ALA 53 Ca 0.07 -1.27 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 1pek s ALA 53 Cb 0.04 -0.30 0.07 0.00 0.00 0.00 0.00 23.12 22.92 1pek s ALA 53 CO 0.05 0.41 0.65 1.14 0.00 0.00 0.00 175.76 178.02 1pek s GLN 54 N -1.82 0.97 0.23 0.00 -2.07 0.07 -4.78 119.66 112.26 1pek s GLN 54 Ca 0.08 0.38 -0.30 0.00 -1.82 0.00 0.00 55.36 53.70 1pek s GLN 54 Cb -0.10 0.46 -0.09 0.00 -1.09 0.00 0.00 33.01 32.20 1pek s GLN 54 CO 0.04 -0.27 0.99 -1.64 -1.32 0.00 0.00 175.29 173.09 1pek s MET 55 N -0.86 4.77 0.00 9.60 -1.94 -1.26 -0.18 119.30 129.42 1pek s MET 55 Ca -0.09 1.57 0.00 0.00 -1.71 0.00 0.00 55.69 55.46 1pek s MET 55 Cb -0.01 -3.27 0.00 0.00 2.01 0.00 0.00 34.83 33.55 1pek s MET 55 CO 0.08 0.38 0.00 1.55 -0.01 0.00 0.00 175.02 177.01 1pek n VAL 56 N 1.67 0.00 -3.64 -6.03 3.14 0.78 -4.79 118.33 109.46 1pek n VAL 56 Ca -0.01 -0.14 -0.08 0.00 -2.96 0.00 0.00 64.34 61.15 1pek n VAL 56 Cb 0.47 0.61 -0.07 0.00 -1.06 0.00 0.00 33.84 33.79 1pek n VAL 56 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1pek s LYS 57 N -1.18 0.47 0.08 1.45 2.47 -1.05 -5.03 119.74 116.94 1pek s LYS 57 Ca 0.00 0.58 0.07 0.00 -1.56 0.00 0.00 55.97 55.06 1pek s LYS 57 Cb 0.00 0.22 -0.03 0.00 -1.46 0.00 0.00 37.83 36.56 1pek s LYS 57 CO 0.00 -0.06 -0.18 0.99 0.16 0.00 0.00 175.35 176.26 1pek s THR 58 N 0.34 1.45 -1.85 3.43 2.01 -1.26 -1.67 115.64 118.09 1pek s THR 58 Ca 0.02 -1.36 0.19 0.00 0.31 0.00 0.00 61.69 60.84 1pek s THR 58 Cb -0.05 -1.33 0.41 0.00 0.01 0.00 0.00 72.50 71.54 1pek s THR 58 CO -0.08 -0.07 1.33 -1.22 -0.69 0.00 0.00 174.62 173.90 1pek n TYR 59 N 1.33 0.55 -3.41 4.92 4.02 0.35 -4.92 117.16 120.00 1pek n TYR 59 Ca -0.20 -0.34 -0.11 0.00 -0.01 0.00 0.00 57.90 57.24 1pek n TYR 59 Cb 0.54 -0.01 0.01 0.00 -0.02 0.00 0.00 39.34 39.86 1pek n TYR 59 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1pek n TYR 60 N 1.20 -1.72 0.08 -0.72 4.01 -1.26 -5.06 117.16 113.68 1pek n TYR 60 Ca 0.17 -1.09 -0.01 0.00 -0.16 0.00 0.00 57.90 56.81 1pek n TYR 60 Cb 0.53 -0.24 0.25 0.00 -0.31 0.00 0.00 39.34 39.58 1pek n TYR 60 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1pek h TYR 61 N 0.36 0.35 -3.14 -0.72 0.05 -2.00 -3.46 116.97 108.42 1pek h TYR 61 Ca -0.15 -0.08 -0.39 0.00 0.05 0.00 0.00 58.73 58.16 1pek h TYR 61 Cb 0.61 -0.09 -0.14 0.00 1.01 0.00 0.00 36.73 38.12 1pek h TYR 61 CO 0.00 0.59 -0.70 0.45 -1.05 0.00 0.00 178.16 177.44 1pek s SER 62 N -6.86 2.14 0.00 3.88 0.15 -1.26 -5.03 113.70 106.73 1pek s SER 62 Ca -0.05 -1.07 0.23 0.00 0.70 0.00 0.00 55.95 55.76 1pek s SER 62 Cb 0.14 -0.06 0.20 0.00 -1.71 0.00 0.00 66.02 64.59 1pek s SER 62 CO 0.77 -0.32 1.20 -1.54 1.20 0.00 0.00 173.24 174.55 1pek n SER 63 N -0.34 0.95 -4.76 5.45 3.41 -1.26 -4.82 113.62 112.26 1pek n SER 63 Ca -0.08 -0.77 -0.38 0.00 -0.26 0.00 0.00 58.87 57.38 1pek n SER 63 Cb 0.61 0.54 0.02 0.00 -0.26 0.00 0.00 64.21 65.13 1pek n SER 63 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1pek s ARG 64 N -2.87 3.34 -0.83 4.33 3.52 -1.26 -4.61 118.95 120.58 1pek s ARG 64 Ca 0.13 2.01 -0.19 0.00 -0.13 0.00 0.00 55.73 57.54 1pek s ARG 64 Cb 0.17 -2.27 0.12 0.00 -1.56 0.00 0.00 34.95 31.41 1pek s ARG 64 CO 0.72 -0.96 1.03 0.34 -0.81 0.00 0.00 175.30 175.63 1pek s ASP 65 N -1.19 6.48 0.00 -2.12 2.15 -1.26 -4.82 116.67 115.91 1pek s ASP 65 Ca 0.69 -1.76 0.20 0.00 0.43 0.00 0.00 52.55 52.12 1pek s ASP 65 Cb -0.35 -2.39 0.54 0.00 -0.30 0.00 0.00 42.92 40.42 1pek s ASP 65 CO 0.41 -1.14 1.45 0.61 -0.17 0.00 0.00 175.17 176.33 1pek n GLY 66 N 5.37 1.68 0.07 2.66 0.00 -1.26 -4.53 105.19 109.19 1pek n GLY 66 Ca 0.14 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 1pek n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pek n ASN 67 N 1.26 1.64 0.00 1.61 2.85 -1.25 -4.89 115.26 116.48 1pek n ASN 67 Ca 0.20 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.99 1pek n ASN 67 Cb 0.53 -0.72 0.00 0.00 1.24 0.00 0.00 39.78 40.83 1pek n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1pek n GLY 68 N 1.49 2.12 0.21 8.20 0.00 -1.26 -4.87 105.19 111.07 1pek n GLY 68 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 1pek n GLY 68 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1pek h HIS 69 N 0.00 -0.37 -0.67 1.61 6.17 -1.94 0.10 115.15 120.05 1pek h HIS 69 Ca 0.00 0.04 0.06 0.00 0.71 0.00 0.00 60.37 61.18 1pek h HIS 69 Cb 0.00 0.22 -0.05 0.00 2.52 0.00 0.00 27.41 30.09 1pek h HIS 69 CO 0.00 -0.23 0.38 0.78 0.71 0.00 0.00 177.93 179.57 1pek h GLY 70 N -0.09 0.98 1.11 5.26 0.00 -1.91 -1.86 103.07 106.56 1pek h GLY 70 Ca 0.18 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 1pek h GLY 70 CO -0.41 0.16 -0.13 -0.84 0.00 0.00 0.00 176.54 175.32 1pek h THR 71 N 0.70 1.27 -0.35 4.70 2.02 -1.40 0.31 112.91 120.15 1pek h THR 71 Ca 0.30 -1.30 0.04 0.00 0.77 0.00 0.00 66.41 66.22 1pek h THR 71 Cb 0.18 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1pek h THR 71 CO -0.18 0.46 0.12 -0.74 0.37 0.00 0.00 175.52 175.54 1pek h HIS 72 N 0.91 0.21 0.24 3.16 6.17 -0.35 0.66 115.15 126.15 1pek h HIS 72 Ca 0.14 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 1pek h HIS 72 Cb 0.71 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.60 1pek h HIS 72 CO 0.05 0.08 -0.12 0.00 0.71 0.00 0.00 177.93 178.65 1pek h ALA 74 N -0.06 1.54 -0.37 0.00 0.00 -0.81 -2.14 119.26 117.42 1pek h ALA 74 Ca -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1pek h ALA 74 Cb 0.48 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1pek h ALA 74 CO 0.06 0.32 -0.03 0.78 0.00 0.00 0.00 179.25 180.38 1pek h GLY 75 N 0.99 0.72 2.00 0.00 0.00 0.59 0.05 103.07 107.43 1pek h GLY 75 Ca 0.39 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1pek h GLY 75 CO -0.15 0.51 -0.21 -0.84 0.00 0.00 0.00 176.54 175.85 1pek h THR 76 N 0.48 0.59 0.10 4.70 2.02 -0.75 0.94 112.91 120.98 1pek h THR 76 Ca 0.10 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 1pek h THR 76 Cb 0.50 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1pek h THR 76 CO 0.02 0.20 -0.05 0.58 0.37 0.00 0.00 175.52 176.65 1pek h VAL 77 N 0.00 1.11 0.00 3.16 2.07 -1.34 0.36 116.25 121.61 1pek h VAL 77 Ca -0.00 -1.31 -0.15 0.00 0.82 0.00 0.00 66.70 66.06 1pek h VAL 77 Cb 0.63 1.87 -0.14 0.00 -1.52 0.00 0.00 31.29 32.14 1pek h VAL 77 CO 0.03 0.29 -0.25 0.61 0.02 0.00 0.00 177.57 178.27 1pek n GLY 78 N 0.67 1.63 3.92 2.17 0.00 -0.01 -1.25 105.19 112.31 1pek n GLY 78 Ca -0.08 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1pek n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pek s SER 79 N -1.02 4.69 0.14 1.61 1.04 0.30 -4.55 113.70 115.92 1pek s SER 79 Ca 0.07 0.58 -0.12 0.00 0.48 0.00 0.00 55.95 56.96 1pek s SER 79 Cb 0.36 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 65.31 1pek s SER 79 CO -0.10 -1.72 1.57 -0.09 0.98 0.00 0.00 173.24 173.87 1pek h ARG 80 N -0.78 0.87 0.18 4.02 2.43 -0.27 -2.86 114.38 117.97 1pek h ARG 80 Ca -0.45 -0.31 -0.35 0.00 -0.81 0.00 0.00 59.98 58.06 1pek h ARG 80 Cb 1.32 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1pek h ARG 80 CO 0.62 0.95 -1.75 1.15 -1.51 0.00 0.00 179.97 179.44 1pek h THR 81 N 0.72 0.93 -0.35 0.20 2.02 -1.93 -3.39 112.91 111.11 1pek h THR 81 Ca 0.12 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.78 1pek h THR 81 Cb 0.61 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1pek h THR 81 CO 0.04 0.86 0.00 -1.22 0.37 0.00 0.00 175.52 175.56 1pek n TYR 82 N -3.57 0.45 -4.10 3.16 4.01 -1.26 -4.72 117.16 111.14 1pek n TYR 82 Ca -0.24 -0.27 -0.29 0.00 -0.16 0.00 0.00 57.90 56.94 1pek n TYR 82 Cb 1.07 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 40.03 1pek n TYR 82 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1pek s GLY 83 N -1.31 1.87 0.10 2.72 0.00 -1.08 -4.09 107.32 105.53 1pek s GLY 83 Ca 0.33 -1.14 -0.15 0.00 0.00 0.00 0.00 44.72 43.76 1pek s GLY 83 CO 0.27 -1.14 1.42 -2.08 0.00 0.00 0.00 173.10 171.57 1pek h VAL 84 N 2.46 1.30 -3.13 1.40 2.07 -0.79 -3.40 116.25 116.17 1pek h VAL 84 Ca -0.47 -1.43 -0.62 0.00 0.82 0.00 0.00 66.70 64.99 1pek h VAL 84 Cb 1.18 1.59 -0.41 0.00 -1.52 0.00 0.00 31.29 32.13 1pek h VAL 84 CO 0.63 0.46 -0.67 0.54 0.02 0.00 0.00 177.57 178.54 1pek s VAL 85 N -4.37 2.13 -1.29 2.57 0.11 -0.38 -4.93 120.40 114.23 1pek s VAL 85 Ca -0.12 -3.22 0.01 0.00 -2.93 0.00 0.00 61.98 55.71 1pek s VAL 85 Cb 0.08 -2.46 0.01 0.00 -1.53 0.00 0.00 36.38 32.49 1pek s VAL 85 CO 0.82 -0.90 0.89 0.29 -3.33 0.00 0.00 175.10 172.87 1pek n LYS 86 N 3.00 0.01 -0.01 1.54 5.02 -1.19 -2.31 118.16 124.22 1pek n LYS 86 Ca 0.11 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1pek n LYS 86 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1pek n LYS 86 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pek n LYS 87 N -1.36 1.64 -1.13 1.97 5.02 -0.43 -4.65 118.16 119.23 1pek n LYS 87 Ca 0.00 -1.09 -0.31 0.00 -2.02 0.00 0.00 58.31 54.89 1pek n LYS 87 Cb 0.01 -0.79 0.12 0.00 -0.02 0.00 0.00 35.03 34.34 1pek n LYS 87 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1pek s THR 88 N -0.60 2.95 -0.22 -0.18 -1.32 -0.98 -4.03 115.64 111.25 1pek s THR 88 Ca 0.01 0.31 -0.18 0.00 -1.21 0.00 0.00 61.69 60.61 1pek s THR 88 Cb 0.01 -2.70 -0.03 0.00 -1.51 0.00 0.00 72.50 68.26 1pek s THR 88 CO 0.00 -0.40 0.51 -1.58 -2.21 0.00 0.00 174.62 170.94 1pek s GLN 89 N -4.85 4.15 -0.14 7.08 2.00 -1.01 -4.86 119.66 122.01 1pek s GLN 89 Ca 0.63 0.37 -0.05 0.00 -2.00 0.00 0.00 55.36 54.31 1pek s GLN 89 Cb -0.18 -3.59 -0.04 0.00 0.80 0.00 0.00 33.01 30.00 1pek s GLN 89 CO 0.57 -0.22 0.02 -0.51 -0.50 0.00 0.00 175.29 174.65 1pek s LEU 90 N 1.87 3.65 -0.04 3.68 1.43 -0.37 -1.11 118.68 127.79 1pek s LEU 90 Ca 0.23 0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.45 1pek s LEU 90 Cb -0.15 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1pek s LEU 90 CO 0.09 0.25 -0.18 -0.36 0.23 0.00 0.00 176.35 176.38 1pek s PHE 91 N -0.11 1.81 -0.15 0.29 0.08 0.68 -0.75 117.98 119.82 1pek s PHE 91 Ca 0.05 -0.52 -0.04 0.00 0.12 0.00 0.00 56.93 56.54 1pek s PHE 91 Cb -0.12 -1.21 -0.03 0.00 -0.57 0.00 0.00 43.02 41.08 1pek s PHE 91 CO 0.02 -0.17 -0.00 0.20 -0.10 0.00 0.00 175.22 175.16 1pek s GLY 92 N 0.00 1.79 -0.28 4.36 0.00 0.75 -0.58 107.32 113.36 1pek s GLY 92 Ca -0.04 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 43.92 1pek s GLY 92 CO 0.02 -0.11 -0.07 0.14 0.00 0.00 0.00 173.10 173.08 1pek s VAL 93 N 0.17 2.22 -0.73 1.40 1.01 -0.76 -0.15 120.40 123.56 1pek s VAL 93 Ca 0.00 -1.79 -0.22 0.00 0.00 0.00 0.00 61.98 59.97 1pek s VAL 93 Cb -0.13 -2.39 0.08 0.00 0.00 0.00 0.00 36.38 33.93 1pek s VAL 93 CO 0.02 -0.16 1.05 -0.75 0.00 0.00 0.00 175.10 175.25 1pek s LYS 94 N 1.06 3.22 0.00 2.72 2.20 -0.67 -1.13 119.74 127.14 1pek s LYS 94 Ca -0.04 -0.94 0.15 0.00 -0.36 0.00 0.00 55.97 54.78 1pek s LYS 94 Cb -0.20 -4.40 -0.12 0.00 -1.51 0.00 0.00 37.83 31.61 1pek s LYS 94 CO -0.06 -1.86 0.70 1.33 -0.36 0.00 0.00 175.35 175.10 1pek n VAL 95 N 5.95 0.00 -4.33 4.02 0.24 0.13 -0.50 118.33 123.84 1pek n VAL 95 Ca 0.03 -0.20 -0.30 0.00 -2.04 0.00 0.00 64.34 61.83 1pek n VAL 95 Cb 0.47 1.06 -0.10 0.00 -1.47 0.00 0.00 33.84 33.79 1pek n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1pek s LEU 96 N -2.51 3.02 0.73 1.34 1.43 0.17 -4.64 118.68 118.22 1pek s LEU 96 Ca 0.08 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 1pek s LEU 96 Cb 0.12 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.60 1pek s LEU 96 CO 0.56 0.21 1.07 1.51 0.23 0.00 0.00 176.35 179.92 1pek s ASP 97 N -1.94 4.82 0.00 2.29 1.47 0.08 -4.34 116.67 119.05 1pek s ASP 97 Ca 0.20 0.63 0.00 0.00 1.18 0.00 0.00 52.55 54.56 1pek s ASP 97 Cb -0.11 -1.27 0.00 0.00 -0.34 0.00 0.00 42.92 41.20 1pek s ASP 97 CO 0.11 -1.64 0.58 0.47 0.68 0.00 0.00 175.17 175.37 1pek n ASP 98 N -3.04 0.00 -0.25 2.11 8.00 -1.26 -0.98 116.55 121.13 1pek n ASP 98 Ca 0.08 0.14 0.07 0.00 0.71 0.00 0.00 54.79 55.79 1pek n ASP 98 Cb 0.60 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.54 1pek n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1pek n ASN 99 N -1.08 1.33 0.00 -2.24 3.02 -1.26 -3.94 115.26 111.09 1pek n ASN 99 Ca 0.00 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1pek n ASN 99 Cb 0.04 0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 1pek n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pek n GLY 100 N 1.17 0.82 3.91 7.41 0.00 -0.15 -5.06 105.19 113.28 1pek n GLY 100 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1pek n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pek s SER 101 N -2.01 4.68 0.00 1.61 1.04 -1.25 -4.76 113.70 113.01 1pek s SER 101 Ca 0.00 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1pek s SER 101 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1pek s SER 101 CO 0.00 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.72 1pek n GLY 102 N -1.80 -0.12 3.90 7.32 0.00 -1.26 -0.74 105.19 112.48 1pek n GLY 102 Ca 0.00 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 1pek n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pek s GLN 103 N -2.00 3.62 0.28 1.61 -0.21 -1.26 -5.00 119.66 116.69 1pek s GLN 103 Ca 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 55.36 55.28 1pek s GLN 103 Cb 0.00 -2.87 0.45 0.00 1.00 0.00 0.00 33.01 31.59 1pek s GLN 103 CO 0.00 0.48 1.89 1.88 -2.12 0.00 0.00 175.29 177.42 1pek h TYR 104 N 2.91 1.16 -0.39 0.91 0.05 -1.98 -1.01 116.97 118.63 1pek h TYR 104 Ca -0.46 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.31 1pek h TYR 104 Cb 1.17 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 38.51 1pek h TYR 104 CO 0.62 0.59 0.07 0.66 -1.05 0.00 0.00 178.16 179.05 1pek h SER 105 N 1.13 0.53 0.25 3.88 4.64 -1.96 0.45 113.55 122.48 1pek h SER 105 Ca 0.43 -0.08 -0.33 0.00 -0.47 0.00 0.00 61.79 61.33 1pek h SER 105 Cb 0.20 -0.14 0.04 0.00 -0.31 0.00 0.00 62.40 62.19 1pek h SER 105 CO -0.17 0.55 -1.45 0.00 -0.87 0.00 0.00 176.83 174.89 1pek h THR 106 N 0.56 1.29 -0.31 2.95 1.03 -1.75 0.11 112.91 116.80 1pek h THR 106 Ca 0.13 -2.69 -0.04 0.00 -0.01 0.00 0.00 66.41 63.79 1pek h THR 106 Cb 0.25 3.06 -0.01 0.00 -1.07 0.00 0.00 68.15 70.37 1pek h THR 106 CO -0.00 0.80 0.02 0.16 -0.01 0.00 0.00 175.52 176.50 1pek h ILE 107 N 0.12 1.25 -0.23 0.00 -0.00 -0.76 -0.47 117.51 117.43 1pek h ILE 107 Ca -0.25 -0.89 -0.03 0.00 -0.00 0.00 0.00 64.86 63.69 1pek h ILE 107 Cb 2.15 1.22 -0.01 0.00 -0.00 0.00 0.00 36.82 40.18 1pek h ILE 107 CO 0.27 0.29 0.01 0.40 -0.00 0.00 0.00 178.15 179.12 1pek h ILE 108 N 0.34 1.25 -0.37 0.16 2.04 -0.14 -1.64 117.51 119.15 1pek h ILE 108 Ca 0.09 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1pek h ILE 108 Cb 0.40 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1pek h ILE 108 CO 0.01 0.26 0.19 0.00 0.00 0.00 0.00 178.15 178.61 1pek h ALA 109 N 0.81 1.64 -0.43 1.87 0.00 -0.16 -2.74 119.26 120.25 1pek h ALA 109 Ca 0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1pek h ALA 109 Cb 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pek h ALA 109 CO 0.01 0.30 0.05 0.78 0.00 0.00 0.00 179.25 180.38 1pek h GLY 110 N 0.60 0.79 0.81 0.00 0.00 -0.20 0.12 103.07 105.19 1pek h GLY 110 Ca 0.13 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1pek h GLY 110 CO -0.02 0.50 -0.01 -0.33 0.00 0.00 0.00 176.54 176.68 1pek h MET 111 N 0.58 -0.03 -0.64 4.80 2.07 -1.29 -1.48 114.93 118.95 1pek h MET 111 Ca 0.13 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.68 1pek h MET 111 Cb 0.42 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.13 1pek h MET 111 CO 0.01 0.17 0.10 -0.44 1.07 0.00 0.00 176.91 177.82 1pek h ASP 112 N -0.21 1.00 0.23 1.22 3.32 -1.39 -1.99 116.42 118.59 1pek h ASP 112 Ca -0.00 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 1pek h ASP 112 Cb 0.20 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1pek h ASP 112 CO 0.00 0.99 -0.39 0.15 -1.72 0.00 0.00 179.24 178.28 1pek h PHE 113 N 0.98 -1.10 -0.38 4.55 3.57 -0.62 -1.70 116.94 122.24 1pek h PHE 113 Ca 0.20 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.79 1pek h PHE 113 Cb 0.42 0.45 -0.07 0.00 2.79 0.00 0.00 35.95 39.55 1pek h PHE 113 CO 0.03 -0.48 -0.04 0.28 -2.23 0.00 0.00 178.31 175.87 1pek h VAL 114 N -0.66 0.67 -0.75 1.41 2.07 -1.09 0.12 116.25 118.02 1pek h VAL 114 Ca -0.03 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.59 1pek h VAL 114 Cb 0.61 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1pek h VAL 114 CO -0.13 0.01 0.36 0.00 0.02 0.00 0.00 177.57 177.83 1pek h ALA 115 N 1.35 1.06 0.05 1.67 0.00 -1.20 -2.07 119.26 120.12 1pek h ALA 115 Ca 0.19 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1pek h ALA 115 Cb 0.27 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pek h ALA 115 CO -0.35 -0.09 -0.44 1.03 0.00 0.00 0.00 179.25 179.40 1pek h SER 116 N 0.57 0.31 -0.56 0.00 0.87 -0.57 -3.38 113.55 110.80 1pek h SER 116 Ca 0.39 -0.88 0.04 0.00 -1.23 0.00 0.00 61.79 60.10 1pek h SER 116 Cb 0.49 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1pek h SER 116 CO -0.32 1.16 0.37 -0.78 -0.53 0.00 0.00 176.83 176.73 1pek h ASP 117 N -0.50 0.54 0.04 6.23 3.58 -0.70 -1.78 116.42 123.84 1pek h ASP 117 Ca -0.07 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 1pek h ASP 117 Cb 1.27 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1pek h ASP 117 CO 0.09 0.37 -0.02 0.07 -2.88 0.00 0.00 179.24 176.87 1pek h LYS 118 N 0.63 0.00 0.00 0.28 2.10 -1.56 0.14 116.57 118.16 1pek h LYS 118 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 1pek h LYS 118 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1pek h LYS 118 CO -0.06 0.02 0.00 0.09 -2.00 0.00 0.00 179.45 177.50 1pek n ASN 119 N -3.90 0.06 -0.16 7.07 5.03 -0.67 -3.18 115.26 119.51 1pek n ASN 119 Ca -0.03 0.51 0.08 0.00 0.87 0.00 0.00 54.58 56.02 1pek n ASN 119 Cb 0.10 -0.53 0.12 0.00 -1.02 0.00 0.00 39.78 38.46 1pek n ASN 119 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1pek n ASN 120 N -1.57 2.01 -4.55 6.41 0.23 0.49 -4.98 115.26 113.30 1pek n ASN 120 Ca 0.04 -2.98 -0.27 0.00 -0.53 0.00 0.00 54.58 50.84 1pek n ASN 120 Cb 0.19 -0.40 -0.10 0.00 -2.08 0.00 0.00 39.78 37.39 1pek n ASN 120 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1pek s ARG 121 N -2.51 1.98 -0.45 -3.83 1.81 -1.19 -5.10 118.95 109.67 1pek s ARG 121 Ca 0.28 -1.29 -0.09 0.00 -1.72 0.00 0.00 55.73 52.91 1pek s ARG 121 Cb 0.25 -2.12 0.11 0.00 -0.45 0.00 0.00 34.95 32.73 1pek s ARG 121 CO 0.02 0.43 0.31 1.21 -0.68 0.00 0.00 175.30 176.60 1pek s ASN 122 N -2.77 5.65 -0.54 0.23 2.47 -1.26 -4.96 114.94 113.76 1pek s ASN 122 Ca 0.24 -1.81 0.06 0.00 0.42 0.00 0.00 52.86 51.77 1pek s ASN 122 Cb -0.09 -1.99 0.20 0.00 -1.45 0.00 0.00 41.25 37.93 1pek s ASN 122 CO 0.14 -0.64 0.51 0.00 -3.72 0.00 0.00 177.10 173.40 1pek h PRO 124 N 4.89 0.95 -0.67 0.00 0.11 -1.66 -2.51 132.00 133.11 1pek h PRO 124 Ca 0.18 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1pek h PRO 124 Cb 0.80 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1pek h PRO 124 CO 0.60 0.63 0.00 1.63 -0.21 0.00 0.00 178.00 180.64 1pek n LYS 125 N -4.61 2.56 0.00 1.05 4.76 -0.05 -4.98 118.16 116.89 1pek n LYS 125 Ca 0.12 -1.43 0.00 0.00 -2.87 0.00 0.00 58.31 54.13 1pek n LYS 125 Cb 0.16 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 1pek n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pek n GLY 126 N 0.51 2.99 3.09 0.72 0.00 -0.95 -4.25 105.19 107.31 1pek n GLY 126 Ca 0.13 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 1pek n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pek s VAL 127 N -2.62 1.40 0.09 1.61 1.01 -1.26 -1.14 120.40 119.49 1pek s VAL 127 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1pek s VAL 127 Cb 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1pek s VAL 127 CO 0.00 0.41 -0.20 -0.69 0.00 0.00 0.00 175.10 174.63 1pek s VAL 128 N 0.45 2.71 -0.07 2.92 1.01 -0.31 -0.65 120.40 126.46 1pek s VAL 128 Ca -0.13 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 60.43 1pek s VAL 128 Cb -0.15 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1pek s VAL 128 CO 0.05 0.18 -0.15 0.00 0.00 0.00 0.00 175.10 175.17 1pek s ALA 129 N -1.05 1.45 -0.18 5.51 0.00 -0.07 -0.68 121.76 126.73 1pek s ALA 129 Ca 0.16 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 1pek s ALA 129 Cb -0.10 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.44 1pek s ALA 129 CO 0.08 0.17 -0.15 0.45 0.00 0.00 0.00 175.76 176.31 1pek s SER 130 N 0.49 3.51 -0.43 0.00 0.15 0.00 -1.50 113.70 115.92 1pek s SER 130 Ca -0.13 -0.55 0.03 0.00 0.70 0.00 0.00 55.95 56.00 1pek s SER 130 Cb -0.15 -1.56 0.12 0.00 -1.71 0.00 0.00 66.02 62.72 1pek s SER 130 CO 0.04 0.02 0.19 -0.76 1.20 0.00 0.00 173.24 173.93 1pek s LEU 131 N 1.22 3.67 -1.29 3.45 1.02 -0.59 -2.05 118.68 124.11 1pek s LEU 131 Ca 0.03 -2.55 -0.06 0.00 0.02 0.00 0.00 54.13 51.57 1pek s LEU 131 Cb -0.14 -1.36 0.15 0.00 0.02 0.00 0.00 46.19 44.86 1pek s LEU 131 CO -0.08 -0.30 2.24 -1.20 0.02 0.00 0.00 176.35 177.04 1pek n SER 132 N 3.69 7.51 -3.80 2.29 7.64 -1.26 -1.51 113.62 128.17 1pek n SER 132 Ca 0.05 -3.19 -0.06 0.00 1.01 0.00 0.00 58.87 56.68 1pek n SER 132 Cb 0.36 -1.36 -0.02 0.00 -1.01 0.00 0.00 64.21 62.18 1pek n SER 132 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1pek s LEU 133 N -2.05 -0.23 0.00 -3.43 -0.00 -1.26 -4.88 118.68 106.83 1pek s LEU 133 Ca 0.50 -0.51 0.00 0.00 -0.00 0.00 0.00 54.13 54.12 1pek s LEU 133 Cb 0.17 2.47 0.00 0.00 -0.00 0.00 0.00 46.19 48.83 1pek s LEU 133 CO -0.08 -1.14 0.00 0.61 -0.00 0.00 0.00 176.35 175.74 1pek n GLY 134 N -0.46 -1.77 0.52 -3.48 0.00 -1.26 -4.36 105.19 94.37 1pek n GLY 134 Ca -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1pek n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pek n GLY 135 N -0.33 0.78 3.65 -0.02 0.00 0.08 -4.97 105.19 104.38 1pek n GLY 135 Ca 0.00 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 1pek n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pek n GLY 136 N -0.11 -0.38 3.63 -0.02 0.00 -1.26 0.49 105.19 107.54 1pek n GLY 136 Ca 0.00 -0.60 -0.56 0.00 0.00 0.00 0.00 46.02 44.87 1pek n GLY 136 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1pek n TYR 137 N -3.67 1.62 -3.68 1.61 9.36 -0.77 -3.80 117.16 117.83 1pek n TYR 137 Ca 0.12 0.68 -0.13 0.00 3.32 0.00 0.00 57.90 61.89 1pek n TYR 137 Cb 0.51 -2.34 -0.13 0.00 -0.63 0.00 0.00 39.34 36.75 1pek n TYR 137 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1pek s SER 138 N 1.62 0.10 0.49 2.98 0.15 -1.26 -4.91 113.70 112.87 1pek s SER 138 Ca 0.91 0.64 0.28 0.00 0.70 0.00 0.00 55.95 58.48 1pek s SER 138 Cb -1.06 0.71 0.79 0.00 -1.71 0.00 0.00 66.02 64.76 1pek s SER 138 CO 0.56 -0.22 1.78 0.77 1.20 0.00 0.00 173.24 177.33 1pek h SER 139 N 7.97 0.00 0.89 5.45 4.64 -1.98 -0.29 113.55 130.23 1pek h SER 139 Ca -0.21 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.88 1pek h SER 139 Cb 1.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 1pek h SER 139 CO 0.19 0.01 -1.13 0.28 -0.87 0.00 0.00 176.83 175.32 1pek h SER 140 N 0.00 0.03 0.00 4.97 0.02 -1.97 -1.41 113.55 115.20 1pek h SER 140 Ca -0.00 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1pek h SER 140 Cb 0.79 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1pek h SER 140 CO 0.00 1.03 -0.06 0.58 -1.14 0.00 0.00 176.83 177.24 1pek h VAL 141 N 0.01 1.65 -0.70 2.27 2.07 -1.83 -0.21 116.25 119.51 1pek h VAL 141 Ca -0.06 -1.98 0.14 0.00 0.82 0.00 0.00 66.70 65.62 1pek h VAL 141 Cb 1.82 2.98 -0.10 0.00 -1.52 0.00 0.00 31.29 34.47 1pek h VAL 141 CO 0.13 0.52 0.18 0.78 0.02 0.00 0.00 177.57 179.20 1pek h ASN 142 N -0.77 0.05 -0.21 0.57 4.21 -1.08 -0.73 115.58 117.63 1pek h ASN 142 Ca -0.01 0.13 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 1pek h ASN 142 Cb 0.89 0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.24 1pek h ASN 142 CO 0.01 0.00 0.12 -1.28 -1.29 0.00 0.00 177.43 175.00 1pek h SER 143 N 0.30 0.25 -0.43 5.81 0.87 -1.19 0.31 113.55 119.46 1pek h SER 143 Ca 0.38 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.84 1pek h SER 143 Cb 0.62 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1pek h SER 143 CO -0.46 0.24 0.12 0.00 -0.53 0.00 0.00 176.83 176.19 1pek h ALA 144 N 1.03 1.27 -0.12 6.23 0.00 0.37 -0.52 119.26 127.52 1pek h ALA 144 Ca 0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1pek h ALA 144 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pek h ALA 144 CO -0.01 0.51 -0.38 0.00 0.00 0.00 0.00 179.25 179.36 1pek h ALA 145 N 1.40 1.13 0.03 0.00 0.00 -0.37 -1.44 119.26 120.00 1pek h ALA 145 Ca 0.16 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 54.43 1pek h ALA 145 Cb 0.28 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pek h ALA 145 CO -0.00 0.57 -1.03 0.00 0.00 0.00 0.00 179.25 178.79 1pek h ALA 146 N 1.39 0.23 -0.21 0.00 0.00 -0.20 -1.65 119.26 118.82 1pek h ALA 146 Ca 0.02 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1pek h ALA 146 Cb 0.78 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1pek h ALA 146 CO 0.06 0.78 0.03 0.00 0.00 0.00 0.00 179.25 180.12 1pek h ARG 147 N 0.27 0.35 -0.20 0.00 3.08 -0.95 0.10 114.38 117.03 1pek h ARG 147 Ca -0.11 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 59.89 1pek h ARG 147 Cb 1.68 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.65 1pek h ARG 147 CO 0.19 0.50 -0.08 1.25 -1.07 0.00 0.00 179.97 180.75 1pek h LEU 148 N 0.14 -0.27 -0.10 3.04 5.85 -1.21 0.15 115.31 122.92 1pek h LEU 148 Ca 0.06 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1pek h LEU 148 Cb 0.32 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1pek h LEU 148 CO 0.00 -0.11 0.01 -0.61 -0.34 0.00 0.00 178.44 177.40 1pek h GLN 149 N -0.05 0.04 0.00 1.25 5.75 -1.17 -2.23 115.11 118.70 1pek h GLN 149 Ca 0.10 -0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.54 1pek h GLN 149 Cb 0.20 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1pek h GLN 149 CO -0.23 0.03 -0.29 0.66 -2.65 0.00 0.00 178.83 176.35 1pek h SER 150 N 0.05 0.00 0.42 -0.69 4.64 -0.48 -1.97 113.55 115.52 1pek h SER 150 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1pek h SER 150 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1pek h SER 150 CO -0.07 0.29 0.00 -1.54 -0.87 0.00 0.00 176.83 174.65 1pek n SER 151 N -3.61 0.01 -0.02 4.97 3.41 0.51 -4.84 113.62 114.05 1pek n SER 151 Ca -0.01 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1pek n SER 151 Cb 0.42 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1pek n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pek n GLY 152 N -0.25 0.82 3.21 5.00 0.00 -0.75 -5.08 105.19 108.15 1pek n GLY 152 Ca 0.03 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1pek n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pek s VAL 153 N -1.69 1.72 -0.31 1.61 1.01 -1.19 -4.58 120.40 116.96 1pek s VAL 153 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1pek s VAL 153 Cb 0.00 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1pek s VAL 153 CO 0.00 0.49 1.07 -0.32 0.00 0.00 0.00 175.10 176.34 1pek s MET 154 N -0.17 4.07 -0.28 2.72 1.75 0.18 -4.16 119.30 123.40 1pek s MET 154 Ca -0.01 1.08 -0.19 0.00 -1.25 0.00 0.00 55.69 55.32 1pek s MET 154 Cb -0.11 -3.73 -0.02 0.00 2.84 0.00 0.00 34.83 33.81 1pek s MET 154 CO 0.02 -0.89 0.59 0.08 -0.65 0.00 0.00 175.02 174.17 1pek s VAL 155 N 3.62 4.99 -0.14 10.11 1.01 -1.26 -0.89 120.40 137.84 1pek s VAL 155 Ca 0.45 0.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.29 1pek s VAL 155 Cb -0.12 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1pek s VAL 155 CO 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 175.10 175.15 1pek s ALA 156 N 2.48 2.91 0.01 5.51 0.00 -0.56 -0.43 121.76 131.68 1pek s ALA 156 Ca 0.24 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1pek s ALA 156 Cb -0.15 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 1pek s ALA 156 CO 0.10 0.25 -0.02 0.14 0.00 0.00 0.00 175.76 176.23 1pek s VAL 157 N 0.28 0.13 0.30 0.00 -7.23 -0.01 -1.54 120.40 112.33 1pek s VAL 157 Ca -0.05 -0.32 -0.29 0.00 -1.81 0.00 0.00 61.98 59.51 1pek s VAL 157 Cb -0.14 -0.16 -0.10 0.00 0.56 0.00 0.00 36.38 36.53 1pek s VAL 157 CO 0.04 -0.12 1.34 0.00 -0.31 0.00 0.00 175.10 176.04 1pek s ALA 158 N -0.45 3.53 0.27 1.32 0.00 -0.57 -1.49 121.76 124.37 1pek s ALA 158 Ca -0.04 1.27 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1pek s ALA 158 Cb -0.03 -3.50 0.37 0.00 0.00 0.00 0.00 23.12 19.96 1pek s ALA 158 CO -0.00 -0.66 1.70 0.00 0.00 0.00 0.00 175.76 176.79 1pek h ALA 159 N 3.91 1.06 0.00 0.00 0.00 -1.65 -3.38 119.26 119.19 1pek h ALA 159 Ca -0.48 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1pek h ALA 159 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1pek h ALA 159 CO 0.69 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.93 1pek n GLY 160 N -0.31 2.65 1.72 0.00 0.00 -1.26 -4.66 105.19 103.32 1pek n GLY 160 Ca -0.01 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 43.86 1pek n GLY 160 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pek n ASN 161 N 0.00 4.15 -0.87 1.61 3.02 -1.26 -0.95 115.26 120.95 1pek n ASN 161 Ca 0.00 -3.76 0.12 0.00 -0.03 0.00 0.00 54.58 50.91 1pek n ASN 161 Cb 0.00 -0.68 0.25 0.00 -0.61 0.00 0.00 39.78 38.75 1pek n ASN 161 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pek n ASN 162 N -1.01 2.67 -3.79 6.41 3.02 -1.13 -4.72 115.26 116.72 1pek n ASN 162 Ca 0.45 -1.87 -0.28 0.00 -0.03 0.00 0.00 54.58 52.86 1pek n ASN 162 Cb 1.04 -0.10 0.05 0.00 -0.61 0.00 0.00 39.78 40.16 1pek n ASN 162 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1pek n ASN 163 N 1.03 -5.36 -3.94 6.41 5.15 -0.63 -4.93 115.26 112.98 1pek n ASN 163 Ca 0.17 -0.69 -0.22 0.00 -0.60 0.00 0.00 54.58 53.24 1pek n ASN 163 Cb 0.52 -4.35 -0.08 0.00 -0.53 0.00 0.00 39.78 35.34 1pek n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pek s ALA 164 N -3.31 2.43 -0.09 5.20 0.00 -1.26 -4.91 121.76 119.81 1pek s ALA 164 Ca 0.62 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 1pek s ALA 164 Cb -0.30 1.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1pek s ALA 164 CO 0.79 -0.45 1.49 0.34 0.00 0.00 0.00 175.76 177.93 1pek s ASP 165 N -3.49 6.78 0.00 0.00 -1.08 -1.26 -0.23 116.67 117.40 1pek s ASP 165 Ca 0.31 2.03 0.03 0.00 -0.52 0.00 0.00 52.55 54.40 1pek s ASP 165 Cb 0.03 -2.54 0.14 0.00 -1.46 0.00 0.00 42.92 39.10 1pek s ASP 165 CO 0.18 -0.85 1.09 0.00 0.52 0.00 0.00 175.17 176.11 1pek n ALA 166 N 6.75 1.17 0.32 3.66 0.00 0.10 -2.76 120.51 129.76 1pek n ALA 166 Ca 0.16 -0.01 0.19 0.00 0.00 0.00 0.00 53.44 53.78 1pek n ALA 166 Cb 0.44 -1.05 1.03 0.00 0.00 0.00 0.00 19.45 19.86 1pek n ALA 166 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1pek h ARG 167 N 0.00 0.00 0.25 0.00 -0.00 -1.90 -3.23 114.38 109.50 1pek h ARG 167 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 1pek h ARG 167 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.03 1pek h ARG 167 CO 0.00 0.00 -0.12 -0.91 -0.00 0.00 0.00 179.97 178.94 1pek h ASN 168 N 0.00 -0.28 0.00 0.08 -0.26 -1.93 -3.46 115.58 109.73 1pek h ASN 168 Ca 0.01 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1pek h ASN 168 Cb 0.29 0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1pek h ASN 168 CO -0.00 0.16 0.00 -1.22 -1.06 0.00 0.00 177.43 175.31 1pek n TYR 169 N -4.91 0.00 -4.02 1.19 4.01 -1.22 -1.84 117.16 110.37 1pek n TYR 169 Ca -0.04 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.36 1pek n TYR 169 Cb 0.13 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.01 1pek n TYR 169 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1pek s SER 170 N 0.00 3.93 0.00 7.72 0.01 0.18 -1.95 113.70 123.59 1pek s SER 170 Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1pek s SER 170 Cb 0.00 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1pek s SER 170 CO 0.00 -0.00 0.00 -0.81 0.41 0.00 0.00 173.24 172.84 1pek n PRO 171 N 4.68 3.95 -0.52 12.44 -0.04 -1.26 -0.74 135.00 153.51 1pek n PRO 171 Ca -0.19 0.00 0.43 0.00 -0.04 0.00 0.00 63.50 63.70 1pek n PRO 171 Cb 0.51 -0.33 0.75 0.00 -0.04 0.00 0.00 33.50 34.38 1pek n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pek h ALA 172 N 0.00 3.30 -0.29 0.55 0.00 -1.75 0.32 119.26 121.39 1pek h ALA 172 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pek h ALA 172 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pek h ALA 172 CO 0.00 -1.81 0.00 -1.13 0.00 0.00 0.00 179.25 176.31 1pek n SER 173 N -4.23 3.11 -4.61 0.00 3.41 -0.82 -4.72 113.62 105.75 1pek n SER 173 Ca 0.37 -1.95 -0.43 0.00 -0.26 0.00 0.00 58.87 56.60 1pek n SER 173 Cb 1.60 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 65.35 1pek n SER 173 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1pek s GLU 174 N -1.63 3.81 0.24 4.33 2.56 0.11 -4.89 118.70 123.22 1pek s GLU 174 Ca 0.36 0.83 -0.05 0.00 0.00 0.00 0.00 54.97 56.11 1pek s GLU 174 Cb 0.22 -3.88 0.25 0.00 2.00 0.00 0.00 34.13 32.71 1pek s GLU 174 CO 0.31 -1.27 1.78 -1.35 -0.56 0.00 0.00 175.26 174.17 1pek h PRO 175 N 9.19 1.02 0.00 4.30 0.11 -1.86 -3.07 132.00 141.71 1pek h PRO 175 Ca -0.23 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1pek h PRO 175 Cb 1.07 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1pek h PRO 175 CO 1.09 0.89 0.00 -1.13 -0.21 0.00 0.00 178.00 178.63 1pek n SER 176 N -4.26 0.61 -2.80 -2.05 3.41 -1.26 -4.84 113.62 102.43 1pek n SER 176 Ca 0.05 0.72 -0.07 0.00 -0.26 0.00 0.00 58.87 59.31 1pek n SER 176 Cb 0.23 -0.82 0.04 0.00 -0.26 0.00 0.00 64.21 63.39 1pek n SER 176 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1pek n VAL 177 N -2.25 0.00 -3.72 -3.33 0.24 -1.16 -4.98 118.33 103.13 1pek n VAL 177 Ca 0.00 -0.49 -0.38 0.00 -2.04 0.00 0.00 64.34 61.43 1pek n VAL 177 Cb 0.12 -1.24 -0.12 0.00 -1.47 0.00 0.00 33.84 31.13 1pek n VAL 177 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pek s THR 179 N 1.39 4.57 -0.40 0.00 2.01 -1.26 -0.83 115.64 121.12 1pek s THR 179 Ca -0.00 0.86 -0.17 0.00 0.31 0.00 0.00 61.69 62.69 1pek s THR 179 Cb -0.20 -4.35 0.01 0.00 0.01 0.00 0.00 72.50 67.96 1pek s THR 179 CO 0.02 -0.67 0.41 -0.69 -0.69 0.00 0.00 174.62 173.01 1pek s VAL 180 N 3.51 5.12 0.75 3.82 1.01 -0.56 -0.09 120.40 133.95 1pek s VAL 180 Ca 0.36 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1pek s VAL 180 Cb -0.11 -3.98 0.11 0.00 0.00 0.00 0.00 36.38 32.39 1pek s VAL 180 CO 0.22 -0.34 1.04 -0.83 0.00 0.00 0.00 175.10 175.20 1pek s GLY 181 N 1.78 1.74 0.11 4.51 0.00 0.18 -1.86 107.32 113.79 1pek s GLY 181 Ca 0.12 -1.28 0.08 0.00 0.00 0.00 0.00 44.72 43.64 1pek s GLY 181 CO 0.13 -0.76 -0.16 0.00 0.00 0.00 0.00 173.10 172.31 1pek s ALA 182 N -3.29 2.75 0.17 3.20 0.00 -1.26 -1.05 121.76 122.28 1pek s ALA 182 Ca 0.65 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 51.35 1pek s ALA 182 Cb -0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1pek s ALA 182 CO 0.46 0.61 -0.12 -1.54 0.00 0.00 0.00 175.76 175.16 1pek s SER 183 N -2.10 2.10 0.36 0.00 1.04 0.23 -1.94 113.70 113.38 1pek s SER 183 Ca 0.19 -1.00 0.07 0.00 0.48 0.00 0.00 55.95 55.69 1pek s SER 183 Cb -0.11 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 1pek s SER 183 CO 0.11 -0.26 0.39 1.51 0.98 0.00 0.00 173.24 175.96 1pek s ASP 184 N -3.18 5.44 0.60 7.02 1.47 -0.79 -0.98 116.67 126.26 1pek s ASP 184 Ca 0.18 -0.47 0.29 0.00 1.18 0.00 0.00 52.55 53.74 1pek s ASP 184 Cb 0.01 -0.91 1.59 0.00 -0.34 0.00 0.00 42.92 43.27 1pek s ASP 184 CO 0.03 -0.49 2.00 -0.09 0.68 0.00 0.00 175.17 177.31 1pek h ARG 185 N 1.04 0.00 -0.72 2.11 2.43 -1.88 -1.49 114.38 115.87 1pek h ARG 185 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1pek h ARG 185 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1pek h ARG 185 CO 0.55 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.67 1pek n TYR 186 N -3.68 1.11 -1.41 2.20 4.01 -1.26 -4.33 117.16 113.80 1pek n TYR 186 Ca 0.04 -0.52 -0.04 0.00 -0.16 0.00 0.00 57.90 57.23 1pek n TYR 186 Cb 0.47 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 39.43 1pek n TYR 186 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1pek n ASP 187 N 1.53 -2.94 -4.87 7.72 9.92 -0.56 -4.93 116.55 122.43 1pek n ASP 187 Ca 0.25 0.06 -0.27 0.00 -0.53 0.00 0.00 54.79 54.30 1pek n ASP 187 Cb 0.69 -1.26 -0.04 0.00 -0.64 0.00 0.00 41.12 39.86 1pek n ASP 187 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1pek s ARG 188 N -2.90 3.20 0.42 -1.24 0.52 -1.26 -0.51 118.95 117.19 1pek s ARG 188 Ca 0.00 -0.68 -0.26 0.00 -0.52 0.00 0.00 55.73 54.26 1pek s ARG 188 Cb 0.00 -2.84 -0.09 0.00 0.52 0.00 0.00 34.95 32.54 1pek s ARG 188 CO 0.00 0.52 1.40 0.50 0.02 0.00 0.00 175.30 177.74 1pek s ARG 189 N -3.03 3.86 0.20 3.54 3.52 0.11 -1.88 118.95 125.27 1pek s ARG 189 Ca 0.33 2.37 -0.32 0.00 -0.13 0.00 0.00 55.73 57.98 1pek s ARG 189 Cb -0.11 -2.75 -0.12 0.00 -1.56 0.00 0.00 34.95 30.41 1pek s ARG 189 CO 0.26 -0.66 1.71 -1.12 -0.81 0.00 0.00 175.30 174.68 1pek s SER 190 N -0.51 6.40 0.43 -2.12 0.01 -0.82 -4.74 113.70 112.36 1pek s SER 190 Ca 0.58 2.83 0.20 0.00 1.31 0.00 0.00 55.95 60.87 1pek s SER 190 Cb -0.43 -2.60 1.14 0.00 0.21 0.00 0.00 66.02 64.35 1pek s SER 190 CO 0.55 -0.96 1.85 0.77 0.41 0.00 0.00 173.24 175.86 1pek h SER 191 N 6.90 0.36 0.24 2.44 4.64 -1.89 -1.03 113.55 125.22 1pek h SER 191 Ca -0.43 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1pek h SER 191 Cb 1.20 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1pek h SER 191 CO 0.95 0.13 -0.25 2.22 -0.87 0.00 0.00 176.83 179.01 1pek n PHE 192 N -4.49 0.00 -2.24 4.77 1.16 -1.26 -4.66 117.46 110.73 1pek n PHE 192 Ca 0.20 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.37 1pek n PHE 192 Cb 0.76 -0.13 -0.03 0.00 -1.61 0.00 0.00 39.48 38.48 1pek n PHE 192 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1pek s SER 193 N -2.50 6.94 0.76 5.98 0.15 -0.39 -1.61 113.70 123.03 1pek s SER 193 Ca 0.24 2.50 -0.11 0.00 0.70 0.00 0.00 55.95 59.29 1pek s SER 193 Cb 0.19 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.92 1pek s SER 193 CO 0.52 -0.43 1.08 0.20 1.20 0.00 0.00 173.24 175.81 1pek s ASN 194 N -0.38 4.70 0.00 5.45 0.02 -0.12 -3.65 114.94 120.96 1pek s ASN 194 Ca 0.50 1.70 0.00 0.00 -1.02 0.00 0.00 52.86 54.04 1pek s ASN 194 Cb -0.37 -2.46 0.00 0.00 0.02 0.00 0.00 41.25 38.44 1pek s ASN 194 CO 0.46 -1.89 0.00 0.00 0.02 0.00 0.00 177.10 175.69 1pek n TYR 195 N -3.42 -0.05 0.00 2.20 0.18 0.68 -4.72 117.16 112.03 1pek n TYR 195 Ca 0.08 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.86 1pek n TYR 195 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 1pek n TYR 195 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1pek n GLY 196 N 0.00 1.67 0.29 -7.48 0.00 -1.26 -0.72 105.19 97.68 1pek n GLY 196 Ca 0.00 -2.14 0.17 0.00 0.00 0.00 0.00 46.02 44.05 1pek n GLY 196 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pek h SER 197 N 0.00 0.00 0.80 1.61 4.64 -1.95 -2.35 113.55 116.30 1pek h SER 197 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pek h SER 197 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pek h SER 197 CO 0.00 0.05 -0.10 0.55 -0.87 0.00 0.00 176.83 176.45 1pek n VAL 198 N -3.23 0.00 -2.30 0.95 3.14 -1.26 -4.82 118.33 110.81 1pek n VAL 198 Ca -0.01 -0.01 -0.37 0.00 -2.96 0.00 0.00 64.34 61.00 1pek n VAL 198 Cb 0.25 -0.33 -0.01 0.00 -1.06 0.00 0.00 33.84 32.69 1pek n VAL 198 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1pek s LEU 199 N -2.90 4.02 -0.14 6.55 1.02 -0.89 -4.62 118.68 121.73 1pek s LEU 199 Ca 0.17 2.26 0.15 0.00 0.02 0.00 0.00 54.13 56.73 1pek s LEU 199 Cb 0.19 -4.24 -0.22 0.00 0.02 0.00 0.00 46.19 41.94 1pek s LEU 199 CO 0.55 -0.86 0.11 0.47 0.02 0.00 0.00 176.35 176.64 1pek n ASP 200 N -0.44 0.89 -3.67 2.29 8.00 0.87 -4.65 116.55 119.85 1pek n ASP 200 Ca 0.07 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.53 1pek n ASP 200 Cb 0.48 1.06 -0.01 0.00 -0.02 0.00 0.00 41.12 42.63 1pek n ASP 200 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1pek s ILE 201 N -2.54 0.00 -0.01 0.53 1.10 -1.13 -4.68 121.20 114.46 1pek s ILE 201 Ca -0.08 -0.40 0.07 0.00 -0.51 0.00 0.00 60.65 59.73 1pek s ILE 201 Cb 0.06 -1.72 -0.02 0.00 0.15 0.00 0.00 42.46 40.93 1pek s ILE 201 CO 0.69 0.00 -0.21 -0.36 -2.11 0.00 0.00 174.94 172.95 1pek s PHE 202 N -3.05 2.48 0.22 3.50 0.40 -0.23 0.51 117.98 121.82 1pek s PHE 202 Ca 0.11 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1pek s PHE 202 Cb -0.00 -1.52 -0.05 0.00 0.51 0.00 0.00 43.02 41.95 1pek s PHE 202 CO -0.02 0.09 0.04 0.20 0.70 0.00 0.00 175.22 176.24 1pek s GLY 203 N -0.84 1.51 0.14 4.36 0.00 -0.22 -1.70 107.32 110.58 1pek s GLY 203 Ca 0.11 -1.74 -0.33 0.00 0.00 0.00 0.00 44.72 42.76 1pek s GLY 203 CO 0.01 -1.58 1.72 -1.05 0.00 0.00 0.00 173.10 172.20 1pek n PRO 204 N -0.37 2.51 0.00 2.90 -0.02 -1.26 -0.60 135.00 138.16 1pek n PRO 204 Ca -0.03 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1pek n PRO 204 Cb 0.65 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1pek n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pek n GLY 205 N 3.90 0.93 3.65 -1.23 0.00 -0.15 -2.68 105.19 109.61 1pek n GLY 205 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1pek n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pek s THR 206 N -0.18 5.08 -0.50 2.61 2.01 -0.81 0.14 115.64 123.99 1pek s THR 206 Ca 0.00 0.98 -0.19 0.00 0.31 0.00 0.00 61.69 62.79 1pek s THR 206 Cb 0.00 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1pek s THR 206 CO 0.00 0.14 0.53 -1.54 -0.69 0.00 0.00 174.62 173.06 1pek n SER 207 N 5.01 -4.27 -4.61 3.53 3.41 -1.15 -4.75 113.62 110.79 1pek n SER 207 Ca -0.04 -0.42 -0.39 0.00 -0.26 0.00 0.00 58.87 57.75 1pek n SER 207 Cb 0.50 -1.31 -0.08 0.00 -0.26 0.00 0.00 64.21 63.06 1pek n SER 207 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1pek s ILE 208 N -1.87 5.13 -0.13 -1.33 -1.09 -0.19 -4.80 121.20 116.91 1pek s ILE 208 Ca 0.19 0.69 -0.29 0.00 -2.23 0.00 0.00 60.65 59.01 1pek s ILE 208 Cb -0.02 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1pek s ILE 208 CO 0.73 0.12 1.25 -0.22 -1.23 0.00 0.00 174.94 175.60 1pek s LEU 209 N 2.17 4.22 0.00 2.97 2.96 -1.26 -0.88 118.68 128.86 1pek s LEU 209 Ca 0.18 1.75 -0.02 0.00 -0.22 0.00 0.00 54.13 55.82 1pek s LEU 209 Cb -0.16 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.00 1pek s LEU 209 CO 0.10 -0.71 0.16 -0.24 -1.32 0.00 0.00 176.35 174.34 1pek n SER 210 N 6.16 -0.46 -4.82 3.68 2.88 -0.77 -4.83 113.62 115.46 1pek n SER 210 Ca 0.13 -1.50 -0.33 0.00 -1.33 0.00 0.00 58.87 55.84 1pek n SER 210 Cb 0.45 0.82 -0.03 0.00 -0.75 0.00 0.00 64.21 64.71 1pek n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1pek s THR 211 N -2.61 4.12 0.16 2.46 -4.23 -1.26 -1.67 115.64 112.61 1pek s THR 211 Ca 0.07 1.12 0.02 0.00 -1.18 0.00 0.00 61.69 61.72 1pek s THR 211 Cb -0.01 -3.54 -0.05 0.00 1.34 0.00 0.00 72.50 70.25 1pek s THR 211 CO 0.05 -0.48 -0.02 0.86 -0.54 0.00 0.00 174.62 174.49 1pek s TRP 212 N -2.36 1.17 0.71 3.99 -0.11 -0.38 -2.82 118.94 119.14 1pek s TRP 212 Ca 0.63 -0.97 -0.15 0.00 1.22 0.00 0.00 56.10 56.83 1pek s TRP 212 Cb -0.13 -0.66 0.03 0.00 -1.50 0.00 0.00 33.47 31.21 1pek s TRP 212 CO 0.28 -0.16 1.19 0.96 -4.62 0.00 0.00 176.95 174.60 1pek s ILE 213 N -3.61 2.44 0.00 5.86 -4.36 -1.26 -2.27 121.20 118.01 1pek s ILE 213 Ca 0.21 0.22 0.00 0.00 -0.26 0.00 0.00 60.65 60.82 1pek s ILE 213 Cb 0.06 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.97 1pek s ILE 213 CO 0.02 -0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.70 1pek n GLY 214 N 0.28 0.71 2.15 6.27 0.00 -1.26 -3.32 105.19 110.01 1pek n GLY 214 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1pek n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pek n GLY 215 N -2.50 0.08 0.00 -0.02 0.00 -1.18 -5.02 105.19 96.54 1pek n GLY 215 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1pek n GLY 215 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pek n SER 216 N 0.53 1.76 -3.94 1.61 3.41 -0.96 -4.95 113.62 111.08 1pek n SER 216 Ca -0.08 -0.06 -0.09 0.00 -0.26 0.00 0.00 58.87 58.38 1pek n SER 216 Cb 0.57 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.43 1pek n SER 216 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1pek s THR 217 N 1.01 0.15 -0.15 6.66 -4.23 -1.26 -1.25 115.64 116.57 1pek s THR 217 Ca 0.00 -1.25 -0.29 0.00 -1.18 0.00 0.00 61.69 58.97 1pek s THR 217 Cb 0.00 -1.12 0.09 0.00 1.34 0.00 0.00 72.50 72.80 1pek s THR 217 CO 0.00 -0.69 0.78 -0.60 -0.54 0.00 0.00 174.62 173.57 1pek s ARG 218 N -3.17 0.86 -0.11 3.99 3.52 -0.67 -4.77 118.95 118.60 1pek s ARG 218 Ca -0.00 0.45 -0.13 0.00 -0.13 0.00 0.00 55.73 55.93 1pek s ARG 218 Cb 0.02 0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 33.77 1pek s ARG 218 CO -0.07 -0.22 0.29 -1.12 -0.81 0.00 0.00 175.30 173.37 1pek s SER 219 N -0.64 6.51 0.28 -2.12 0.01 -1.26 -1.84 113.70 114.64 1pek s SER 219 Ca -0.05 0.61 0.01 0.00 1.31 0.00 0.00 55.95 57.83 1pek s SER 219 Cb -0.02 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 1pek s SER 219 CO 0.05 0.21 0.28 0.27 0.41 0.00 0.00 173.24 174.46 1pek s ILE 220 N -0.18 0.00 0.05 1.44 -4.36 -0.06 -4.80 121.20 113.30 1pek s ILE 220 Ca 0.18 -1.89 0.06 0.00 -0.26 0.00 0.00 60.65 58.74 1pek s ILE 220 Cb -0.14 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.04 1pek s ILE 220 CO 0.06 0.00 -0.18 -0.44 0.24 0.00 0.00 174.94 174.62 1pek s SER 221 N -3.25 2.13 0.00 4.36 0.01 -1.26 -1.02 113.70 114.66 1pek s SER 221 Ca 0.37 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1pek s SER 221 Cb 0.03 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1pek s SER 221 CO 0.20 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.54 1pek n GLY 222 N 1.70 2.62 0.11 3.44 0.00 0.12 -4.86 105.19 108.32 1pek n GLY 222 Ca -0.18 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.83 1pek n GLY 222 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pek n THR 223 N -1.16 0.68 0.15 2.61 -2.24 -1.26 -1.56 114.28 111.49 1pek n THR 223 Ca 0.00 -0.03 -0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1pek n THR 223 Cb 0.00 -0.85 0.21 0.00 -2.10 0.00 0.00 70.33 67.60 1pek n THR 223 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1pek h SER 224 N 0.00 0.00 0.54 3.42 0.02 -1.90 -1.19 113.55 114.44 1pek h SER 224 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1pek h SER 224 Cb 0.55 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.09 1pek h SER 224 CO 0.00 0.56 -1.35 0.24 -1.14 0.00 0.00 176.83 175.14 1pek h MET 225 N 0.00 0.30 -0.02 3.45 2.86 -1.59 -3.35 114.93 116.57 1pek h MET 225 Ca -0.01 -0.51 -0.16 0.00 -2.06 0.00 0.00 59.70 56.96 1pek h MET 225 Cb 1.00 0.19 0.01 0.00 0.06 0.00 0.00 31.60 32.86 1pek h MET 225 CO 0.07 1.22 -0.63 0.00 1.06 0.00 0.00 176.91 178.63 1pek h ALA 226 N 0.51 0.10 -0.24 6.32 0.00 -1.33 -3.31 119.26 121.30 1pek h ALA 226 Ca -0.18 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.19 1pek h ALA 226 Cb 2.01 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.77 1pek h ALA 226 CO 0.20 0.39 -0.40 1.15 0.00 0.00 0.00 179.25 180.59 1pek h THR 227 N -0.02 0.00 0.00 0.00 2.02 -1.36 -1.27 112.91 112.28 1pek h THR 227 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1pek h THR 227 Cb 1.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1pek h THR 227 CO 0.12 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.56 1pek h PRO 228 N -0.32 0.00 -0.32 6.66 0.13 -1.70 -0.30 132.00 136.14 1pek h PRO 228 Ca 0.04 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.03 1pek h PRO 228 Cb 0.45 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 1pek h PRO 228 CO -0.40 0.00 -0.34 0.45 -0.23 0.00 0.00 178.00 177.48 1pek h HIS 229 N 0.00 0.97 0.13 1.56 3.86 -1.32 0.72 115.15 121.07 1pek h HIS 229 Ca 0.00 -0.30 -0.30 0.00 -1.16 0.00 0.00 60.37 58.61 1pek h HIS 229 Cb 0.07 -0.20 0.03 0.00 1.06 0.00 0.00 27.41 28.36 1pek h HIS 229 CO 0.00 1.08 -1.26 -0.39 0.86 0.00 0.00 177.93 178.22 1pek h VAL 230 N 0.58 1.29 -0.68 2.45 -1.51 -1.19 0.12 116.25 117.31 1pek h VAL 230 Ca 0.05 -2.50 -0.02 0.00 -1.23 0.00 0.00 66.70 63.00 1pek h VAL 230 Cb 0.93 2.72 -0.03 0.00 -2.13 0.00 0.00 31.29 32.78 1pek h VAL 230 CO 0.08 0.76 0.36 0.00 -1.23 0.00 0.00 177.57 177.54 1pek h ALA 231 N 0.30 0.88 -0.22 5.19 0.00 -0.99 0.57 119.26 124.99 1pek h ALA 231 Ca -0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1pek h ALA 231 Cb 1.93 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1pek h ALA 231 CO 0.24 0.41 0.11 0.78 0.00 0.00 0.00 179.25 180.79 1pek h GLY 232 N 0.94 0.34 1.03 0.00 0.00 -0.87 0.14 103.07 104.65 1pek h GLY 232 Ca 0.24 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 1pek h GLY 232 CO -0.04 0.16 -0.14 -2.00 0.00 0.00 0.00 176.54 174.52 1pek h LEU 233 N 0.23 0.89 0.62 3.11 5.85 -0.16 0.54 115.31 126.39 1pek h LEU 233 Ca 0.08 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1pek h LEU 233 Cb 0.11 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1pek h LEU 233 CO -0.01 1.06 -0.35 0.00 -0.34 0.00 0.00 178.44 178.80 1pek h ALA 234 N 0.86 -0.91 -0.46 1.25 0.00 0.30 -1.26 119.26 119.05 1pek h ALA 234 Ca 0.11 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1pek h ALA 234 Cb 0.69 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1pek h ALA 234 CO 0.05 -1.02 0.08 0.00 0.00 0.00 0.00 179.25 178.36 1pek h ALA 235 N -0.56 0.50 -0.60 0.00 0.00 -0.82 -0.32 119.26 117.45 1pek h ALA 235 Ca -0.08 0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1pek h ALA 235 Cb 0.71 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1pek h ALA 235 CO 0.10 -0.32 0.31 -0.92 0.00 0.00 0.00 179.25 178.42 1pek h TYR 236 N 0.21 0.56 -0.36 0.00 3.20 -0.46 -2.18 116.97 117.93 1pek h TYR 236 Ca 0.23 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.99 1pek h TYR 236 Cb 0.29 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1pek h TYR 236 CO -0.22 0.25 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.21 1pek h LEU 237 N 0.57 0.87 -0.52 2.82 3.38 -0.77 -2.24 115.31 119.41 1pek h LEU 237 Ca 0.28 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1pek h LEU 237 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1pek h LEU 237 CO -0.20 1.12 0.02 0.24 0.09 0.00 0.00 178.44 179.71 1pek h MET 238 N 0.62 0.91 0.00 1.13 2.86 -1.04 -1.15 114.93 118.26 1pek h MET 238 Ca 0.07 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 1pek h MET 238 Cb 0.84 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1pek h MET 238 CO 0.07 0.92 -0.17 0.00 1.06 0.00 0.00 176.91 178.79 1pek h THR 239 N 0.79 0.38 0.00 2.22 1.03 -1.35 -1.19 112.91 114.79 1pek h THR 239 Ca 0.15 -1.07 0.00 0.00 -0.01 0.00 0.00 66.41 65.48 1pek h THR 239 Cb 0.50 1.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.38 1pek h THR 239 CO 0.02 0.17 -0.28 -0.07 -0.01 0.00 0.00 175.52 175.35 1pek h LEU 240 N 0.00 0.00 0.07 0.00 4.07 -1.12 -3.48 115.31 114.86 1pek h LEU 240 Ca -0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1pek h LEU 240 Cb 0.79 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 1pek h LEU 240 CO 0.02 0.04 -0.03 0.61 -1.08 0.00 0.00 178.44 178.00 1pek n GLY 241 N 1.29 0.51 0.14 0.83 0.00 -0.45 -4.93 105.19 102.58 1pek n GLY 241 Ca 0.04 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.28 1pek n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pek h LYS 242 N 0.19 0.00 -3.32 1.61 1.79 -1.47 -3.47 116.57 111.90 1pek h LYS 242 Ca -0.03 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1pek h LYS 242 Cb 0.12 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 1pek h LYS 242 CO 0.05 0.55 0.12 -0.08 -1.08 0.00 0.00 179.45 179.00 1pek s THR 243 N -3.07 0.00 0.34 -0.16 -1.32 -1.25 -5.03 115.64 105.14 1pek s THR 243 Ca 0.03 -1.18 0.06 0.00 -1.21 0.00 0.00 61.69 59.39 1pek s THR 243 Cb 0.09 -2.54 -0.07 0.00 -1.51 0.00 0.00 72.50 68.47 1pek s THR 243 CO 0.74 0.00 0.01 0.42 -2.21 0.00 0.00 174.62 173.58 1pek s THR 244 N -3.06 1.59 0.13 5.08 -4.23 -1.26 -4.42 115.64 109.47 1pek s THR 244 Ca 0.18 -2.04 -0.21 0.00 -1.18 0.00 0.00 61.69 58.44 1pek s THR 244 Cb -0.04 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 1pek s THR 244 CO 0.12 -0.08 1.67 0.00 -0.54 0.00 0.00 174.62 175.79 1pek h ALA 245 N 2.04 -0.00 0.00 3.99 0.00 -1.89 0.58 119.26 123.98 1pek h ALA 245 Ca -0.42 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1pek h ALA 245 Cb 1.24 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1pek h ALA 245 CO 0.73 -0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.36 1pek h ALA 246 N 0.98 1.78 0.00 0.00 0.00 -1.89 -3.17 119.26 116.96 1pek h ALA 246 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pek h ALA 246 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pek h ALA 246 CO -0.26 0.06 -0.06 -1.13 0.00 0.00 0.00 179.25 177.87 1pek n SER 247 N -4.27 1.61 -0.17 0.00 3.41 -0.94 -4.74 113.62 108.51 1pek n SER 247 Ca -0.03 -2.22 -0.10 0.00 -0.26 0.00 0.00 58.87 56.27 1pek n SER 247 Cb 0.13 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1pek n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pek h ALA 248 N 0.00 0.65 0.14 7.33 0.00 0.18 -1.26 119.26 126.30 1pek h ALA 248 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1pek h ALA 248 Cb 0.84 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1pek h ALA 248 CO 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 179.25 179.53 1pek h ARG 250 N -0.32 0.59 -0.30 0.00 2.43 -1.86 -1.63 114.38 113.28 1pek h ARG 250 Ca 0.01 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 1pek h ARG 250 Cb 0.31 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1pek h ARG 250 CO -0.05 0.39 -0.49 -0.92 -1.51 0.00 0.00 179.97 177.39 1pek h TYR 251 N 0.60 1.03 -0.63 2.20 3.20 -0.90 -1.75 116.97 120.72 1pek h TYR 251 Ca 0.42 -0.35 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 1pek h TYR 251 Cb 0.56 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1pek h TYR 251 CO -0.11 1.16 0.07 0.82 -1.64 0.00 0.00 178.16 178.46 1pek h ILE 252 N 0.65 1.26 -0.71 1.81 2.04 -0.10 -1.67 117.51 120.79 1pek h ILE 252 Ca 0.03 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.77 1pek h ILE 252 Cb 1.08 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1pek h ILE 252 CO 0.11 0.39 0.17 0.00 0.00 0.00 0.00 178.15 178.82 1pek h ALA 253 N 1.10 0.96 -0.00 1.87 0.00 -1.31 -2.28 119.26 119.60 1pek h ALA 253 Ca 0.19 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1pek h ALA 253 Cb 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1pek h ALA 253 CO 0.02 0.67 -0.61 -0.44 0.00 0.00 0.00 179.25 178.89 1pek h ASP 254 N 1.08 0.02 -0.52 0.00 3.32 -1.17 -3.28 116.42 115.86 1pek h ASP 254 Ca 0.22 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1pek h ASP 254 Cb 0.37 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1pek h ASP 254 CO 0.00 0.62 0.00 0.35 -1.72 0.00 0.00 179.24 178.49 1pek n THR 255 N -3.82 1.71 -1.32 0.35 -2.24 -0.64 -5.01 114.28 103.31 1pek n THR 255 Ca -0.01 -1.27 -0.29 0.00 -2.27 0.00 0.00 64.05 60.20 1pek n THR 255 Cb 0.61 0.15 0.14 0.00 -2.10 0.00 0.00 70.33 69.13 1pek n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pek s ALA 256 N -1.81 1.56 -0.09 6.98 0.00 -0.91 -4.57 121.76 122.93 1pek s ALA 256 Ca 0.44 -0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 1pek s ALA 256 Cb 0.29 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 1pek s ALA 256 CO 0.20 -2.35 0.96 -0.80 0.00 0.00 0.00 175.76 173.78 1pek s ASN 257 N -3.63 7.22 -0.09 0.00 0.02 0.10 -4.81 114.94 113.74 1pek s ASN 257 Ca 0.63 1.49 -0.01 0.00 -1.02 0.00 0.00 52.86 53.95 1pek s ASN 257 Cb -0.17 -2.54 -0.03 0.00 0.02 0.00 0.00 41.25 38.53 1pek s ASN 257 CO 0.56 -0.38 -0.02 -0.54 0.02 0.00 0.00 177.10 176.73 1pek s LYS 258 N 1.75 3.00 0.00 -0.60 1.02 -1.26 -1.30 119.74 122.36 1pek s LYS 258 Ca 0.47 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.00 1pek s LYS 258 Cb -0.19 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1pek s LYS 258 CO 0.19 0.63 0.00 0.41 -0.92 0.00 0.00 175.35 175.66 1pek n GLY 259 N 2.35 0.54 0.08 -3.33 0.00 -0.82 -4.90 105.19 99.12 1pek n GLY 259 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 1pek n GLY 259 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pek h ASP 260 N 0.00 0.00 -4.13 1.61 5.19 -1.81 -3.46 116.42 113.82 1pek h ASP 260 Ca 0.00 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 55.95 1pek h ASP 260 Cb 0.14 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.66 1pek h ASP 260 CO 0.00 0.87 0.37 -0.76 -3.12 0.00 0.00 179.24 176.60 1pek s LEU 261 N -6.85 3.74 0.29 1.55 1.43 -1.26 -4.87 118.68 112.71 1pek s LEU 261 Ca 0.01 1.71 0.11 0.00 -1.03 0.00 0.00 54.13 54.92 1pek s LEU 261 Cb 0.10 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 1pek s LEU 261 CO 0.80 -0.64 -0.12 -0.94 0.23 0.00 0.00 176.35 175.68 1pek s SER 262 N -2.56 3.89 -0.57 2.29 1.04 0.34 -4.62 113.70 113.51 1pek s SER 262 Ca 0.62 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 1pek s SER 262 Cb -0.12 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.54 1pek s SER 262 CO 0.24 -0.02 0.07 -3.20 0.98 0.00 0.00 173.24 171.31 1pek n ASN 263 N -0.74 -2.78 -4.58 7.02 5.15 -1.26 0.08 115.26 118.15 1pek n ASN 263 Ca -0.05 -0.04 -0.39 0.00 -0.60 0.00 0.00 54.58 53.50 1pek n ASN 263 Cb 0.60 -1.98 -0.10 0.00 -0.53 0.00 0.00 39.78 37.77 1pek n ASN 263 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pek s ILE 264 N -2.48 5.27 0.50 -1.44 -1.09 -1.26 -4.59 121.20 116.10 1pek s ILE 264 Ca 0.03 0.19 -0.21 0.00 -2.23 0.00 0.00 60.65 58.43 1pek s ILE 264 Cb -0.02 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.18 1pek s ILE 264 CO 0.04 0.16 1.12 -2.84 -1.23 0.00 0.00 174.94 172.20 1pek s PRO 265 N 1.84 3.61 0.16 2.79 0.02 -1.26 -4.95 135.00 137.22 1pek s PRO 265 Ca 0.09 1.62 -0.32 0.00 0.02 0.00 0.00 61.00 62.41 1pek s PRO 265 Cb -0.16 -2.19 -0.12 0.00 0.02 0.00 0.00 34.50 32.05 1pek s PRO 265 CO 0.11 -0.64 1.73 0.34 -0.33 0.00 0.00 177.00 178.21 1pek n PHE 266 N -0.89 2.60 0.00 6.54 -0.00 -1.26 -1.60 117.46 122.85 1pek n PHE 266 Ca 0.09 0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.58 1pek n PHE 266 Cb 0.50 -2.66 0.00 0.00 -0.00 0.00 0.00 39.48 37.32 1pek n PHE 266 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pek n GLY 267 N 3.94 2.23 3.85 7.13 0.00 -1.26 -4.99 105.19 116.08 1pek n GLY 267 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1pek n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pek s THR 268 N -2.26 5.30 0.50 2.61 2.01 -0.63 -3.67 115.64 119.50 1pek s THR 268 Ca 0.00 0.48 -0.23 0.00 0.31 0.00 0.00 61.69 62.26 1pek s THR 268 Cb 0.00 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.91 1pek s THR 268 CO 0.00 0.58 1.27 0.68 -0.69 0.00 0.00 174.62 176.46 1pek s VAL 269 N -0.89 2.56 -0.90 3.82 -7.23 -1.26 -4.72 120.40 111.78 1pek s VAL 269 Ca 0.18 0.43 -0.00 0.00 -1.81 0.00 0.00 61.98 60.78 1pek s VAL 269 Cb -0.14 -3.22 0.28 0.00 0.56 0.00 0.00 36.38 33.86 1pek s VAL 269 CO 0.07 -0.00 1.17 -3.20 -0.31 0.00 0.00 175.10 172.83 1pek n ASN 270 N -0.71 5.30 -3.94 4.85 4.05 -1.26 -4.93 115.26 118.62 1pek n ASN 270 Ca 0.09 -3.41 -0.22 0.00 0.45 0.00 0.00 54.58 51.48 1pek n ASN 270 Cb 0.46 -1.03 -0.16 0.00 1.23 0.00 0.00 39.78 40.28 1pek n ASN 270 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1pek s LEU 271 N -2.61 1.45 -0.23 1.20 1.43 -1.26 -1.94 118.68 116.72 1pek s LEU 271 Ca 0.34 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1pek s LEU 271 Cb 0.08 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.69 1pek s LEU 271 CO 0.05 -0.02 -0.02 -0.22 0.23 0.00 0.00 176.35 176.37 1pek s LEU 272 N 0.83 3.01 0.25 1.79 2.96 -0.42 -1.07 118.68 126.04 1pek s LEU 272 Ca -0.12 -0.41 -0.30 0.00 -0.22 0.00 0.00 54.13 53.09 1pek s LEU 272 Cb -0.15 -1.76 -0.15 0.00 0.50 0.00 0.00 46.19 44.63 1pek s LEU 272 CO 0.01 -0.03 1.06 0.00 -1.32 0.00 0.00 176.35 176.07 1pek n ALA 273 N 4.81 -0.42 -3.45 5.97 0.00 -0.69 -0.73 120.51 126.01 1pek n ALA 273 Ca -0.18 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.55 1pek n ALA 273 Cb 0.51 -2.02 -0.13 0.00 0.00 0.00 0.00 19.45 17.81 1pek n ALA 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1pek s TYR 274 N -0.73 -0.29 -0.61 0.00 5.04 -1.26 -4.44 117.35 115.06 1pek s TYR 274 Ca 0.64 0.69 0.24 0.00 -2.44 0.00 0.00 57.07 56.20 1pek s TYR 274 Cb -0.75 0.06 0.30 0.00 0.35 0.00 0.00 41.96 41.91 1pek s TYR 274 CO 0.57 -0.18 1.28 -2.95 -1.34 0.00 0.00 175.55 172.93 1pek h ASN 275 N 6.56 0.00 -4.45 4.32 -1.07 -1.09 -3.44 115.58 116.42 1pek h ASN 275 Ca -0.34 -0.21 -0.31 0.00 0.07 0.00 0.00 56.30 55.52 1pek h ASN 275 Cb 1.17 0.00 0.09 0.00 -2.07 0.00 0.00 38.32 37.52 1pek h ASN 275 CO 0.37 0.10 -0.51 0.59 0.07 0.00 0.00 177.43 178.06 1pek n ASN 276 N -2.15 -5.30 -4.76 6.14 3.02 -1.26 -4.92 115.26 106.02 1pek n ASN 276 Ca 0.03 -0.37 -0.39 0.00 -0.03 0.00 0.00 54.58 53.81 1pek n ASN 276 Cb 0.45 -3.95 -0.06 0.00 -0.61 0.00 0.00 39.78 35.60 1pek n ASN 276 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1pek s TYR 277 N -3.20 3.93 -0.22 3.10 6.14 -1.26 -5.02 117.35 120.82 1pek s TYR 277 Ca 0.40 1.81 -0.01 0.00 0.64 0.00 0.00 57.07 59.91 1pek s TYR 277 Cb -0.18 -2.90 0.07 0.00 0.42 0.00 0.00 41.96 39.36 1pek s TYR 277 CO 0.50 0.45 0.02 1.14 0.64 0.00 0.00 175.55 178.30 1pek s GLN 278 N -1.26 0.95 0.00 4.97 1.03 -1.26 -5.01 119.66 119.08 1pek s GLN 278 Ca 0.40 -0.69 0.00 0.00 0.04 0.00 0.00 55.36 55.11 1pek s GLN 278 Cb -0.24 -2.24 0.00 0.00 0.03 0.00 0.00 33.01 30.56 1pek s GLN 278 CO 0.29 -0.68 0.23 0.00 -2.54 0.00 0.00 175.29 172.59