#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1men s ILE 1 N 0.00 4.18 -0.15 5.15 -1.09 -1.05 -4.81 121.20 123.43 1men s ILE 1 Ca 0.00 1.51 -0.23 0.00 -2.23 0.00 0.00 60.65 59.70 1men s ILE 1 Cb 0.00 -3.97 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1men s ILE 1 CO 0.00 0.01 0.73 -0.76 -1.23 0.00 0.00 174.94 173.69 1men s LEU 2 N 2.16 4.21 -0.03 2.97 1.02 -1.26 0.10 118.68 127.85 1men s LEU 2 Ca 0.57 1.08 0.05 0.00 0.02 0.00 0.00 54.13 55.85 1men s LEU 2 Cb -0.26 -3.08 -0.03 0.00 0.02 0.00 0.00 46.19 42.84 1men s LEU 2 CO 0.23 -0.27 -0.17 -0.69 0.02 0.00 0.00 176.35 175.46 1men s VAL 3 N 1.66 2.80 -0.13 -1.59 1.01 0.21 -0.67 120.40 123.68 1men s VAL 3 Ca 0.35 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1men s VAL 3 Cb -0.17 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1men s VAL 3 CO 0.14 0.56 -0.12 0.00 0.00 0.00 0.00 175.10 175.68 1men s ALA 4 N -0.72 2.68 -0.23 5.51 0.00 0.02 -1.18 121.76 127.84 1men s ALA 4 Ca 0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1men s ALA 4 Cb -0.10 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 1men s ALA 4 CO 0.01 0.25 -0.04 0.08 0.00 0.00 0.00 175.76 176.06 1men s VAL 5 N 0.32 3.35 -0.17 0.00 1.01 -0.53 -0.45 120.40 123.94 1men s VAL 5 Ca -0.09 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1men s VAL 5 Cb -0.16 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1men s VAL 5 CO 0.05 0.37 0.26 -0.76 0.00 0.00 0.00 175.10 175.02 1men s LEU 6 N 1.46 4.24 0.25 3.92 1.43 0.18 -1.74 118.68 128.42 1men s LEU 6 Ca 0.05 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1men s LEU 6 Cb -0.15 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 1men s LEU 6 CO -0.03 0.12 0.08 0.27 0.23 0.00 0.00 176.35 177.02 1men s ILE 7 N 0.44 0.60 0.00 -0.59 -4.36 -0.13 -0.40 121.20 116.76 1men s ILE 7 Ca 0.15 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1men s ILE 7 Cb -0.12 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.02 1men s ILE 7 CO 0.02 -0.07 0.02 -1.20 0.24 0.00 0.00 174.94 173.95 1men n SER 8 N -0.44 0.03 0.00 4.36 7.64 -0.95 -2.97 113.62 121.29 1men n SER 8 Ca -0.01 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1men n SER 8 Cb 0.66 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 1men n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1men n GLY 9 N 0.12 3.37 0.37 0.23 0.00 -1.26 -4.78 105.19 103.24 1men n GLY 9 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 1men n GLY 9 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1men h THR 10 N 0.00 0.12 0.00 2.61 2.02 -1.94 -1.63 112.91 114.09 1men h THR 10 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1men h THR 10 Cb 0.00 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1men h THR 10 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1men n GLY 11 N -1.42 0.80 0.31 2.16 0.00 -1.26 -1.46 105.19 104.32 1men n GLY 11 Ca 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 1men n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1men h SER 12 N 0.00 0.80 -0.61 1.61 4.64 -1.93 -1.24 113.55 116.81 1men h SER 12 Ca 0.00 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 1men h SER 12 Cb 0.00 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1men h SER 12 CO 0.00 0.75 -0.00 0.78 -0.87 0.00 0.00 176.83 177.49 1men h ASN 13 N 0.84 1.06 -0.17 4.97 2.35 -1.94 -1.83 115.58 120.87 1men h ASN 13 Ca 0.19 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1men h ASN 13 Cb 0.24 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 1men h ASN 13 CO -0.01 1.11 -0.10 0.25 -1.65 0.00 0.00 177.43 177.03 1men h LEU 14 N 0.99 -0.32 -0.46 1.61 5.85 -1.72 0.19 115.31 121.44 1men h LEU 14 Ca 0.17 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.01 1men h LEU 14 Cb 0.56 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1men h LEU 14 CO 0.03 -0.13 0.23 -0.61 -0.34 0.00 0.00 178.44 177.62 1men h GLN 15 N -0.09 0.44 -0.00 1.25 5.75 -1.05 0.65 115.11 122.05 1men h GLN 15 Ca 0.10 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 1men h GLN 15 Cb 0.23 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 1men h GLN 15 CO -0.22 0.29 -0.20 0.00 -2.65 0.00 0.00 178.83 176.05 1men h ALA 16 N 1.25 1.67 0.10 3.38 0.00 -0.79 0.15 119.26 125.02 1men h ALA 16 Ca 0.20 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1men h ALA 16 Cb 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1men h ALA 16 CO -0.15 0.25 -1.17 -0.07 0.00 0.00 0.00 179.25 178.11 1men h LEU 17 N 0.00 0.48 -0.13 0.00 3.38 0.95 -2.40 115.31 117.60 1men h LEU 17 Ca -0.00 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1men h LEU 17 Cb 0.35 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1men h LEU 17 CO 0.03 1.34 0.07 0.40 0.09 0.00 0.00 178.44 180.36 1men h ILE 18 N 0.12 1.11 -0.49 1.22 2.04 0.13 -1.98 117.51 119.66 1men h ILE 18 Ca -0.13 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1men h ILE 18 Cb 1.87 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 1men h ILE 18 CO 0.20 0.10 0.26 0.44 0.00 0.00 0.00 178.15 179.14 1men h ASP 19 N 0.10 0.38 0.38 1.72 3.32 -0.78 -0.58 116.42 120.97 1men h ASP 19 Ca 0.05 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1men h ASP 19 Cb 0.10 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1men h ASP 19 CO -0.01 0.27 -0.24 0.77 -1.72 0.00 0.00 179.24 178.31 1men h SER 20 N 0.51 0.00 0.25 6.45 4.64 -1.29 -2.18 113.55 121.94 1men h SER 20 Ca 0.21 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.36 1men h SER 20 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1men h SER 20 CO -0.14 0.24 -0.67 0.74 -0.87 0.00 0.00 176.83 176.13 1men h THR 21 N 0.00 1.37 0.00 2.95 2.02 -0.52 -2.86 112.91 115.87 1men h THR 21 Ca -0.00 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1men h THR 21 Cb 0.50 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1men h THR 21 CO 0.03 0.62 0.00 0.54 0.37 0.00 0.00 175.52 177.08 1men n ARG 22 N -3.86 0.01 -1.75 6.66 3.00 -0.32 -4.75 116.66 115.65 1men n ARG 22 Ca -0.04 0.28 -0.32 0.00 -0.01 0.00 0.00 57.85 57.77 1men n ARG 22 Cb 0.67 -1.50 0.04 0.00 0.00 0.00 0.00 32.46 31.67 1men n ARG 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1men s GLU 23 N -2.97 2.98 0.27 5.56 0.41 -1.08 -5.03 118.70 118.84 1men s GLU 23 Ca 0.06 1.15 -0.19 0.00 -0.41 0.00 0.00 54.97 55.58 1men s GLU 23 Cb 0.08 -1.99 -0.09 0.00 -1.78 0.00 0.00 34.13 30.35 1men s GLU 23 CO 0.22 -1.08 0.76 -1.25 -0.49 0.00 0.00 175.26 173.42 1men s PRO 24 N -4.48 4.21 0.00 0.39 0.04 -1.26 -3.28 135.00 130.62 1men s PRO 24 Ca 0.62 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1men s PRO 24 Cb -0.16 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1men s PRO 24 CO 0.46 0.30 0.00 0.09 0.04 0.00 0.00 177.00 177.88 1men n ASN 25 N 0.34 0.00 -4.74 6.66 3.02 -1.26 -5.01 115.26 114.27 1men n ASN 25 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 1men n ASN 25 Cb 0.52 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 1men n ASN 25 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1men s SER 26 N -3.14 7.05 -0.29 6.41 0.15 -1.20 -4.91 113.70 117.77 1men s SER 26 Ca 0.00 2.29 0.11 0.00 0.70 0.00 0.00 55.95 59.06 1men s SER 26 Cb 0.00 -2.61 0.74 0.00 -1.71 0.00 0.00 66.02 62.44 1men s SER 26 CO 0.00 -0.39 1.75 -1.54 1.20 0.00 0.00 173.24 174.27 1men n SER 27 N 2.30 4.87 -3.70 5.45 3.41 -1.26 -4.62 113.62 120.07 1men n SER 27 Ca 0.04 -3.17 -0.10 0.00 -0.26 0.00 0.00 58.87 55.38 1men n SER 27 Cb 0.44 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 1men n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1men s ALA 28 N -2.95 -0.76 0.01 7.33 0.00 -1.26 -2.53 121.76 121.60 1men s ALA 28 Ca 0.54 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1men s ALA 28 Cb 0.43 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 1men s ALA 28 CO 0.13 -0.58 -0.03 1.14 0.00 0.00 0.00 175.76 176.43 1men s GLN 29 N -3.58 0.24 -0.32 0.00 -2.07 0.29 -4.62 119.66 109.59 1men s GLN 29 Ca 0.02 -0.40 -0.21 0.00 -1.82 0.00 0.00 55.36 52.95 1men s GLN 29 Cb 0.02 -0.01 -0.00 0.00 -1.09 0.00 0.00 33.01 31.93 1men s GLN 29 CO -0.10 -0.01 0.67 0.42 -1.32 0.00 0.00 175.29 174.95 1men s ILE 30 N -0.89 4.88 -0.07 3.63 1.01 -1.26 0.65 121.20 129.15 1men s ILE 30 Ca -0.09 0.85 0.21 0.00 0.00 0.00 0.00 60.65 61.62 1men s ILE 30 Cb -0.06 -4.07 -0.30 0.00 0.01 0.00 0.00 42.46 38.04 1men s ILE 30 CO -0.00 -0.23 0.48 0.47 0.00 0.00 0.00 174.94 175.65 1men n ASP 31 N 6.03 0.08 -3.70 3.58 9.92 -0.33 -4.90 116.55 127.23 1men n ASP 31 Ca 0.00 0.03 -0.14 0.00 -0.53 0.00 0.00 54.79 54.16 1men n ASP 31 Cb 0.49 1.73 -0.09 0.00 -0.64 0.00 0.00 41.12 42.60 1men n ASP 31 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1men s ILE 32 N -3.37 0.01 -0.18 0.53 1.10 -1.23 -4.07 121.20 113.99 1men s ILE 32 Ca -0.08 -0.06 0.01 0.00 -0.51 0.00 0.00 60.65 60.01 1men s ILE 32 Cb 0.13 -0.69 0.03 0.00 0.15 0.00 0.00 42.46 42.07 1men s ILE 32 CO 0.89 -0.03 -0.16 -0.69 -2.11 0.00 0.00 174.94 172.83 1men s VAL 33 N -0.06 1.87 -0.13 4.00 1.01 -0.64 -1.45 120.40 124.99 1men s VAL 33 Ca -0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1men s VAL 33 Cb -0.03 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1men s VAL 33 CO 0.02 0.42 -0.05 -0.63 0.00 0.00 0.00 175.10 174.86 1men s ILE 34 N 1.35 3.80 -0.00 2.22 1.01 -0.71 -1.61 121.20 127.26 1men s ILE 34 Ca 0.03 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.36 1men s ILE 34 Cb -0.14 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1men s ILE 34 CO -0.11 0.52 -0.26 -0.55 0.00 0.00 0.00 174.94 174.54 1men s SER 35 N 0.10 3.06 0.00 3.58 0.15 -0.18 -0.96 113.70 119.46 1men s SER 35 Ca -0.01 -0.50 0.27 0.00 0.70 0.00 0.00 55.95 56.41 1men s SER 35 Cb -0.14 -0.33 0.88 0.00 -1.71 0.00 0.00 66.02 64.73 1men s SER 35 CO 0.03 0.30 1.64 -0.46 1.20 0.00 0.00 173.24 175.96 1men n ASN 36 N 2.29 1.31 -4.05 5.45 0.23 -1.16 -0.43 115.26 118.90 1men n ASN 36 Ca -0.16 -1.22 -0.26 0.00 -0.53 0.00 0.00 54.58 52.41 1men n ASN 36 Cb 0.51 0.07 -0.17 0.00 -2.08 0.00 0.00 39.78 38.12 1men n ASN 36 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1men s LYS 37 N -2.24 1.89 0.64 -3.83 2.20 -1.26 -3.47 119.74 113.67 1men s LYS 37 Ca 0.31 -0.48 -0.16 0.00 -0.36 0.00 0.00 55.97 55.28 1men s LYS 37 Cb 0.20 -1.53 -0.01 0.00 -1.51 0.00 0.00 37.83 34.98 1men s LYS 37 CO 0.42 0.05 1.13 0.00 -0.36 0.00 0.00 175.35 176.59 1men s ALA 38 N 0.62 2.47 -1.63 3.13 0.00 -1.26 -4.06 121.76 121.03 1men s ALA 38 Ca -0.15 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1men s ALA 38 Cb -0.16 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1men s ALA 38 CO 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 175.76 174.55 1men n ALA 39 N -2.23 -0.23 -1.90 0.00 0.00 -1.26 -4.98 120.51 109.91 1men n ALA 39 Ca 0.11 0.25 -0.32 0.00 0.00 0.00 0.00 53.44 53.47 1men n ALA 39 Cb 0.52 -1.65 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 1men n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1men s VAL 40 N -2.29 4.50 0.52 0.00 -7.23 -1.26 -4.95 120.40 109.70 1men s VAL 40 Ca 0.00 1.27 0.26 0.00 -1.81 0.00 0.00 61.98 61.70 1men s VAL 40 Cb 0.00 -3.65 0.41 0.00 0.56 0.00 0.00 36.38 33.70 1men s VAL 40 CO 0.00 -0.43 1.97 0.00 -0.31 0.00 0.00 175.10 176.33 1men h ALA 41 N 1.59 2.54 -0.32 1.32 0.00 -1.80 -1.22 119.26 121.37 1men h ALA 41 Ca -0.48 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1men h ALA 41 Cb 1.18 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1men h ALA 41 CO 0.62 -0.71 0.22 0.78 0.00 0.00 0.00 179.25 180.16 1men h GLY 42 N 0.03 0.33 1.00 0.00 0.00 -0.23 -1.34 103.07 102.86 1men h GLY 42 Ca 0.29 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 1men h GLY 42 CO -0.01 0.10 0.12 1.41 0.00 0.00 0.00 176.54 178.16 1men h LEU 43 N 0.28 0.85 -0.14 3.11 3.38 -1.48 -1.12 115.31 120.19 1men h LEU 43 Ca 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1men h LEU 43 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1men h LEU 43 CO -0.03 0.87 0.07 0.44 0.09 0.00 0.00 178.44 179.88 1men h ASP 44 N 0.79 0.18 -0.56 -0.43 3.32 -1.36 -0.59 116.42 117.78 1men h ASP 44 Ca 0.17 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.17 1men h ASP 44 Cb 0.36 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 1men h ASP 44 CO 0.00 0.25 0.24 0.11 -1.72 0.00 0.00 179.24 178.13 1men h LYS 45 N 0.10 0.45 -0.38 3.56 1.57 -1.21 0.16 116.57 120.81 1men h LYS 45 Ca 0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1men h LYS 45 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1men h LYS 45 CO -0.01 0.30 0.16 0.00 -0.57 0.00 0.00 179.45 179.32 1men h ALA 46 N 1.34 0.50 -0.51 3.86 0.00 -0.91 -1.90 119.26 121.63 1men h ALA 46 Ca 0.26 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1men h ALA 46 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1men h ALA 46 CO -0.23 0.09 0.11 0.93 0.00 0.00 0.00 179.25 180.16 1men h GLU 47 N 0.47 0.79 -0.60 0.00 5.08 -0.58 0.14 114.58 119.87 1men h GLU 47 Ca 0.13 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1men h GLU 47 Cb 0.18 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1men h GLU 47 CO -0.01 0.72 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1men h ARG 48 N 0.76 1.05 0.00 2.33 3.08 -0.53 -1.49 114.38 119.58 1men h ARG 48 Ca 0.17 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1men h ARG 48 Cb 0.30 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1men h ARG 48 CO 0.00 1.02 0.00 0.00 -1.07 0.00 0.00 179.97 179.92 1men n ALA 49 N -2.48 2.25 -1.10 0.04 0.00 -0.73 -4.84 120.51 113.64 1men n ALA 49 Ca 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 1men n ALA 49 Cb 0.34 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 1men n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1men n GLY 50 N 0.27 0.66 3.79 0.00 0.00 -0.56 -5.03 105.19 104.31 1men n GLY 50 Ca 0.13 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1men n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1men s ILE 51 N -2.06 4.99 0.54 -0.61 1.01 0.41 -4.98 121.20 120.51 1men s ILE 51 Ca 0.00 1.02 -0.21 0.00 0.00 0.00 0.00 60.65 61.45 1men s ILE 51 Cb 0.00 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1men s ILE 51 CO 0.00 0.48 1.32 -2.84 0.00 0.00 0.00 174.94 173.90 1men s PRO 52 N -0.47 3.17 0.06 2.79 0.02 -1.26 -3.95 135.00 135.35 1men s PRO 52 Ca 0.27 2.15 0.06 0.00 0.02 0.00 0.00 61.00 63.49 1men s PRO 52 Cb -0.17 -2.23 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 1men s PRO 52 CO 0.14 -1.14 -0.16 0.95 -0.33 0.00 0.00 177.00 176.47 1men s THR 53 N -1.35 1.24 -0.01 0.99 -4.23 -1.26 -1.62 115.64 109.40 1men s THR 53 Ca 0.72 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 1men s THR 53 Cb -0.38 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1men s THR 53 CO 0.45 -0.04 -0.05 -0.13 -0.54 0.00 0.00 174.62 174.31 1men s ARG 54 N -1.39 0.52 -0.20 3.99 1.81 -0.63 -4.97 118.95 118.08 1men s ARG 54 Ca 0.02 -0.17 -0.04 0.00 -1.72 0.00 0.00 55.73 53.82 1men s ARG 54 Cb -0.09 -0.52 -0.01 0.00 -0.45 0.00 0.00 34.95 33.88 1men s ARG 54 CO 0.02 0.07 -0.04 0.08 -0.68 0.00 0.00 175.30 174.75 1men s VAL 55 N 0.13 3.50 -0.45 3.52 1.01 -1.26 -1.01 120.40 125.83 1men s VAL 55 Ca -0.01 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1men s VAL 55 Cb -0.05 -2.57 0.12 0.00 0.00 0.00 0.00 36.38 33.88 1men s VAL 55 CO -0.00 0.44 0.18 -0.63 0.00 0.00 0.00 175.10 175.09 1men s ILE 56 N 1.14 2.43 -0.33 2.22 1.01 0.43 -4.96 121.20 123.15 1men s ILE 56 Ca 0.02 -2.92 -0.28 0.00 0.00 0.00 0.00 60.65 57.47 1men s ILE 56 Cb -0.15 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1men s ILE 56 CO -0.00 -0.72 1.82 0.21 0.00 0.00 0.00 174.94 176.24 1men s ASN 57 N 0.19 5.86 0.54 3.58 3.84 -1.25 -4.14 114.94 123.55 1men s ASN 57 Ca 0.15 1.32 0.21 0.00 0.21 0.00 0.00 52.86 54.74 1men s ASN 57 Cb -0.23 -2.53 1.42 0.00 -0.55 0.00 0.00 41.25 39.36 1men s ASN 57 CO -0.03 -1.74 2.13 1.12 -2.79 0.00 0.00 177.10 175.79 1men h HIS 58 N 13.03 0.00 0.00 0.43 2.07 -1.93 -1.83 115.15 126.91 1men h HIS 58 Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 1men h HIS 58 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1men h HIS 58 CO 0.96 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 177.45 1men n LYS 59 N -4.32 0.04 -0.11 5.12 5.02 -1.26 -2.01 118.16 120.63 1men n LYS 59 Ca -0.00 0.30 0.10 0.00 -2.02 0.00 0.00 58.31 56.69 1men n LYS 59 Cb 0.22 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.04 1men n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1men n LEU 60 N -1.43 1.97 -4.48 -0.35 4.77 -0.69 -4.89 117.00 111.90 1men n LEU 60 Ca 0.03 -0.86 -0.29 0.00 -0.03 0.00 0.00 56.01 54.86 1men n LEU 60 Cb 0.09 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 1men n LEU 60 CO 0.08 0.43 -0.49 -0.31 -1.33 0.00 0.00 177.39 175.76 1men s TYR 61 N -1.70 2.51 0.17 -1.77 1.51 -0.85 -5.04 117.35 112.18 1men s TYR 61 Ca 0.32 -0.28 -0.07 0.00 -1.01 0.00 0.00 57.07 56.03 1men s TYR 61 Cb 0.17 -1.32 0.06 0.00 -0.11 0.00 0.00 41.96 40.76 1men s TYR 61 CO 0.25 0.40 1.52 -0.22 -1.11 0.00 0.00 175.55 176.40 1men h LYS 62 N 3.65 0.79 0.00 -0.62 3.64 -1.90 -3.48 116.57 118.66 1men h LYS 62 Ca -0.50 -0.41 -0.13 0.00 -1.27 0.00 0.00 60.65 58.34 1men h LYS 62 Cb 1.17 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1men h LYS 62 CO 0.46 1.04 -0.03 0.27 -2.27 0.00 0.00 179.45 178.92 1men n ASN 63 N -4.04 -0.92 -0.02 4.20 0.23 -1.26 -5.05 115.26 108.40 1men n ASN 63 Ca -0.02 -2.07 -0.02 0.00 -0.53 0.00 0.00 54.58 51.95 1men n ASN 63 Cb 0.53 1.65 0.25 0.00 -2.08 0.00 0.00 39.78 40.14 1men n ASN 63 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1men h ARG 64 N 0.00 0.56 -0.02 -3.83 2.43 -1.94 -2.35 114.38 109.23 1men h ARG 64 Ca -0.17 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1men h ARG 64 Cb 0.70 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1men h ARG 64 CO 0.22 0.63 0.00 0.28 -1.51 0.00 0.00 179.97 179.60 1men h VAL 65 N 0.53 1.18 -0.90 0.20 2.07 -1.97 0.95 116.25 118.30 1men h VAL 65 Ca 0.10 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1men h VAL 65 Cb 0.43 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1men h VAL 65 CO 0.02 0.14 0.56 -0.33 0.02 0.00 0.00 177.57 177.98 1men h GLU 66 N -0.19 1.22 -0.27 1.57 5.08 -1.95 -0.36 114.58 119.68 1men h GLU 66 Ca 0.01 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1men h GLU 66 Cb 0.22 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1men h GLU 66 CO -0.00 0.85 -0.07 0.35 -1.00 0.00 0.00 179.01 179.13 1men h PHE 67 N 1.24 0.58 -0.48 4.33 3.57 -1.29 -2.10 116.94 122.80 1men h PHE 67 Ca 0.33 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1men h PHE 67 Cb -0.07 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1men h PHE 67 CO 0.00 0.73 0.13 -0.44 -2.23 0.00 0.00 178.31 176.50 1men h ASP 68 N 0.27 0.66 -0.49 0.41 3.32 -0.52 -1.83 116.42 118.24 1men h ASP 68 Ca 0.07 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1men h ASP 68 Cb 0.55 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1men h ASP 68 CO 0.03 0.65 0.09 0.28 -1.72 0.00 0.00 179.24 178.57 1men h SER 69 N 0.70 0.77 -0.81 6.45 0.02 -0.94 0.15 113.55 119.89 1men h SER 69 Ca 0.16 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1men h SER 69 Cb 0.25 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 1men h SER 69 CO -0.00 0.83 0.52 0.00 -1.14 0.00 0.00 176.83 177.03 1men h ALA 70 N 0.97 1.06 0.20 3.77 0.00 -0.95 -0.42 119.26 123.89 1men h ALA 70 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1men h ALA 70 Cb 0.38 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1men h ALA 70 CO 0.01 0.36 -0.10 0.82 0.00 0.00 0.00 179.25 180.34 1men h ILE 71 N 1.03 0.84 -0.52 0.00 1.08 -0.83 -3.02 117.51 116.09 1men h ILE 71 Ca 0.32 -0.22 0.10 0.00 -0.39 0.00 0.00 64.86 64.67 1men h ILE 71 Cb -0.01 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 1men h ILE 71 CO -0.10 0.05 0.35 -0.78 -0.69 0.00 0.00 178.15 176.98 1men h ASP 72 N -0.38 0.25 -0.54 1.72 3.58 -0.10 -0.53 116.42 120.42 1men h ASP 72 Ca -0.03 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.38 1men h ASP 72 Cb 0.29 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1men h ASP 72 CO 0.05 0.15 0.16 -0.07 -2.88 0.00 0.00 179.24 176.64 1men h LEU 73 N 0.28 0.84 -0.16 2.28 3.38 -0.97 -1.17 115.31 119.79 1men h LEU 73 Ca 0.24 -0.15 -0.22 0.00 0.09 0.00 0.00 57.88 57.84 1men h LEU 73 Cb 0.59 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1men h LEU 73 CO -0.05 0.81 -0.97 0.58 0.09 0.00 0.00 178.44 178.90 1men h VAL 74 N 0.87 1.46 -0.50 1.22 2.07 -1.10 -1.52 116.25 118.75 1men h VAL 74 Ca 0.19 -2.64 -0.10 0.00 0.82 0.00 0.00 66.70 64.97 1men h VAL 74 Cb 0.29 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1men h VAL 74 CO -0.00 0.78 -0.07 -0.07 0.02 0.00 0.00 177.57 178.22 1men h LEU 75 N 0.15 0.92 -0.62 2.57 3.38 -0.94 -1.71 115.31 119.07 1men h LEU 75 Ca -0.07 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.41 1men h LEU 75 Cb 1.62 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1men h LEU 75 CO 0.16 1.05 -0.48 -0.33 0.09 0.00 0.00 178.44 178.93 1men h GLU 76 N 0.78 0.53 -0.59 1.13 4.39 -1.26 -0.21 114.58 119.36 1men h GLU 76 Ca 0.13 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.56 1men h GLU 76 Cb 0.62 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 1men h GLU 76 CO 0.04 0.89 0.39 1.49 -1.16 0.00 0.00 179.01 180.66 1men h GLU 77 N 0.42 0.67 -0.63 2.33 4.81 -0.98 -1.39 114.58 119.81 1men h GLU 77 Ca 0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1men h GLU 77 Cb 0.99 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1men h GLU 77 CO 0.09 0.45 0.00 1.19 -0.73 0.00 0.00 179.01 180.01 1men n PHE 78 N -4.46 1.52 -3.90 0.92 3.01 -0.67 -4.94 117.46 108.94 1men n PHE 78 Ca 0.07 -0.63 -0.31 0.00 1.01 0.00 0.00 57.45 57.59 1men n PHE 78 Cb 0.13 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 1men n PHE 78 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1men n SER 79 N 1.04 -4.17 -4.75 4.37 7.64 -0.52 -4.88 113.62 112.35 1men n SER 79 Ca 0.26 -0.77 -0.41 0.00 1.01 0.00 0.00 58.87 58.95 1men n SER 79 Cb 0.92 -3.37 -0.02 0.00 -1.01 0.00 0.00 64.21 60.72 1men n SER 79 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1men s ILE 80 N -3.22 2.37 -0.24 0.44 -1.09 -0.12 -4.83 121.20 114.51 1men s ILE 80 Ca 0.64 0.31 -0.17 0.00 -2.23 0.00 0.00 60.65 59.20 1men s ILE 80 Cb -0.33 -3.20 -0.16 0.00 -1.58 0.00 0.00 42.46 37.19 1men s ILE 80 CO 0.79 0.05 -0.08 0.47 -1.23 0.00 0.00 174.94 174.94 1men n ASP 81 N 2.29 1.91 -4.13 3.58 8.00 0.16 -4.92 116.55 123.44 1men n ASP 81 Ca 0.08 0.37 -0.25 0.00 0.71 0.00 0.00 54.79 55.70 1men n ASP 81 Cb 0.39 -0.89 -0.16 0.00 -0.02 0.00 0.00 41.12 40.44 1men n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1men s ILE 82 N -2.44 1.32 -0.16 0.53 1.01 -0.60 -4.88 121.20 115.98 1men s ILE 82 Ca -0.34 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.58 1men s ILE 82 Cb 0.11 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1men s ILE 82 CO 0.54 0.38 -0.03 -0.69 0.00 0.00 0.00 174.94 175.14 1men s VAL 83 N -0.18 3.98 -0.22 2.92 1.01 -0.05 -0.80 120.40 127.06 1men s VAL 83 Ca 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1men s VAL 83 Cb -0.09 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1men s VAL 83 CO 0.01 0.49 -0.08 0.00 0.00 0.00 0.00 175.10 175.52 1men s LEU 85 N 1.41 4.53 -0.57 0.00 1.43 0.10 -0.65 118.68 124.93 1men s LEU 85 Ca 0.04 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1men s LEU 85 Cb -0.14 -2.70 0.14 0.00 0.03 0.00 0.00 46.19 43.51 1men s LEU 85 CO -0.05 -0.89 0.32 0.00 0.23 0.00 0.00 176.35 175.96 1men s ALA 86 N 3.00 3.45 0.00 4.21 0.00 0.47 -3.01 121.76 129.88 1men s ALA 86 Ca 0.23 -3.42 0.00 0.00 0.00 0.00 0.00 51.96 48.77 1men s ALA 86 Cb -0.15 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1men s ALA 86 CO 0.18 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.31 1men n GLY 87 N 2.82 0.42 3.62 0.00 0.00 -1.26 -4.29 105.19 106.50 1men n GLY 87 Ca 0.09 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1men n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1men s PHE 88 N -2.00 3.06 -0.45 1.61 5.36 -1.25 -2.24 117.98 122.07 1men s PHE 88 Ca 0.00 0.97 0.08 0.00 -0.96 0.00 0.00 56.93 57.02 1men s PHE 88 Cb 0.00 -3.82 0.54 0.00 -0.34 0.00 0.00 43.02 39.40 1men s PHE 88 CO 0.00 -0.88 1.40 -1.33 -1.46 0.00 0.00 175.22 172.95 1men n MET 89 N 7.02 3.34 -4.08 10.12 2.81 -1.26 -4.94 117.12 130.13 1men n MET 89 Ca 0.10 -2.13 -0.26 0.00 -1.81 0.00 0.00 57.70 53.60 1men n MET 89 Cb 0.48 -1.99 -0.05 0.00 -0.71 0.00 0.00 33.22 30.95 1men n MET 89 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1men s ARG 90 N -2.21 2.91 -0.19 0.03 1.81 -1.26 -5.09 118.95 114.94 1men s ARG 90 Ca 0.38 -0.87 -0.14 0.00 -1.72 0.00 0.00 55.73 53.37 1men s ARG 90 Cb 0.29 -2.65 -0.04 0.00 -0.45 0.00 0.00 34.95 32.10 1men s ARG 90 CO 0.10 0.48 0.32 0.42 -0.68 0.00 0.00 175.30 175.94 1men s ILE 91 N -1.76 5.27 0.42 1.52 1.01 -1.26 -5.06 121.20 121.33 1men s ILE 91 Ca 0.31 0.55 -0.17 0.00 0.00 0.00 0.00 60.65 61.34 1men s ILE 91 Cb -0.10 -3.65 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 1men s ILE 91 CO 0.23 0.32 0.88 -0.76 0.00 0.00 0.00 174.94 175.61 1men s LEU 92 N 0.97 3.89 0.63 2.97 1.43 -1.26 -5.00 118.68 122.31 1men s LEU 92 Ca 0.16 1.49 -0.15 0.00 -1.03 0.00 0.00 54.13 54.60 1men s LEU 92 Cb -0.14 -4.35 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 1men s LEU 92 CO 0.06 -0.37 1.08 -0.94 0.23 0.00 0.00 176.35 176.40 1men s SER 93 N -2.51 5.47 0.14 2.29 1.04 -1.26 -4.85 113.70 114.02 1men s SER 93 Ca 0.58 1.87 -0.18 0.00 0.48 0.00 0.00 55.95 58.70 1men s SER 93 Cb -0.10 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.50 1men s SER 93 CO 0.20 -1.38 1.71 1.23 0.98 0.00 0.00 173.24 175.98 1men h GLY 94 N 0.16 0.26 1.52 7.32 0.00 -1.96 -1.05 103.07 109.31 1men h GLY 94 Ca -0.46 0.04 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1men h GLY 94 CO 0.56 -0.06 0.30 -2.55 0.00 0.00 0.00 176.54 174.79 1men h PRO 95 N 0.07 0.57 -0.17 4.80 0.11 -1.99 0.11 132.00 135.51 1men h PRO 95 Ca 0.13 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 1men h PRO 95 Cb 0.17 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 1men h PRO 95 CO -0.22 0.38 -0.29 0.35 -0.21 0.00 0.00 178.00 178.00 1men h PHE 96 N 0.59 0.62 -0.83 0.65 3.04 -1.84 -0.95 116.94 118.22 1men h PHE 96 Ca 0.17 -0.22 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 1men h PHE 96 Cb -0.02 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.34 1men h PHE 96 CO -0.00 0.92 0.43 0.28 -2.02 0.00 0.00 178.31 177.92 1men h VAL 97 N 0.14 1.25 -0.43 1.41 2.07 -0.42 -2.23 116.25 118.04 1men h VAL 97 Ca 0.01 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1men h VAL 97 Cb 0.87 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1men h VAL 97 CO 0.07 0.29 0.23 1.56 0.02 0.00 0.00 177.57 179.74 1men h GLN 98 N 1.17 0.61 -0.99 1.57 4.20 -0.73 -0.68 115.11 120.26 1men h GLN 98 Ca 0.29 -0.08 0.07 0.00 0.06 0.00 0.00 58.65 58.99 1men h GLN 98 Cb 0.08 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 27.67 1men h GLN 98 CO -0.04 0.49 0.63 -0.22 -0.67 0.00 0.00 178.83 179.03 1men h LYS 99 N 0.56 1.11 -0.64 1.46 3.64 -0.81 -1.82 116.57 120.08 1men h LYS 99 Ca 0.15 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1men h LYS 99 Cb 0.07 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1men h LYS 99 CO -0.02 0.73 0.00 0.91 -2.27 0.00 0.00 179.45 178.80 1men n TRP 100 N -4.52 1.46 -1.65 1.91 7.02 -0.87 -4.97 117.44 115.81 1men n TRP 100 Ca 0.15 -0.56 -0.51 0.00 -1.02 0.00 0.00 57.50 55.57 1men n TRP 100 Cb 0.19 -0.28 -0.05 0.00 -2.42 0.00 0.00 31.31 28.75 1men n TRP 100 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1men n ASN 101 N 0.89 2.46 0.00 -0.99 2.85 -0.30 0.10 115.26 120.27 1men n ASN 101 Ca 0.23 1.08 0.00 0.00 -0.11 0.00 0.00 54.58 55.78 1men n ASN 101 Cb 0.87 -1.28 0.00 0.00 1.24 0.00 0.00 39.78 40.61 1men n ASN 101 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1men n GLY 102 N 3.33 1.05 0.05 8.20 0.00 -1.26 -4.80 105.19 111.75 1men n GLY 102 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1men n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1men n LYS 103 N -2.00 1.83 -3.92 1.61 5.02 0.12 -4.82 118.16 116.00 1men n LYS 103 Ca 0.00 -1.41 -0.28 0.00 -2.02 0.00 0.00 58.31 54.60 1men n LYS 103 Cb 0.00 -0.93 -0.17 0.00 -0.02 0.00 0.00 35.03 33.91 1men n LYS 103 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1men s MET 104 N -1.01 1.62 0.10 1.97 1.75 -1.08 -0.87 119.30 121.77 1men s MET 104 Ca 0.05 -0.37 0.04 0.00 -1.25 0.00 0.00 55.69 54.17 1men s MET 104 Cb 0.05 -1.78 -0.04 0.00 2.84 0.00 0.00 34.83 35.90 1men s MET 104 CO 0.00 -0.31 0.03 -0.51 -0.65 0.00 0.00 175.02 173.59 1men s LEU 105 N 1.66 3.58 0.02 4.11 1.43 -0.10 -1.71 118.68 127.66 1men s LEU 105 Ca 0.04 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1men s LEU 105 Cb -0.13 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1men s LEU 105 CO -0.08 0.16 -0.06 0.21 0.23 0.00 0.00 176.35 176.81 1men s ASN 106 N -2.42 0.66 -0.06 2.29 2.47 0.35 0.01 114.94 118.24 1men s ASN 106 Ca 0.27 -0.31 0.02 0.00 0.42 0.00 0.00 52.86 53.26 1men s ASN 106 Cb -0.12 -0.01 -0.03 0.00 -1.45 0.00 0.00 41.25 39.65 1men s ASN 106 CO 0.20 -0.08 -0.12 -0.51 -3.72 0.00 0.00 177.10 172.87 1men s ILE 107 N -0.74 3.30 -0.05 -5.21 2.07 -1.16 -1.17 121.20 118.23 1men s ILE 107 Ca -0.04 -0.63 0.02 0.00 -1.41 0.00 0.00 60.65 58.58 1men s ILE 107 Cb -0.06 -2.32 0.01 0.00 0.13 0.00 0.00 42.46 40.23 1men s ILE 107 CO 0.00 0.59 -0.09 -2.28 -1.91 0.00 0.00 174.94 171.26 1men s HIS 108 N -0.70 1.06 0.00 3.50 5.65 -0.15 -4.76 115.29 119.88 1men s HIS 108 Ca 0.11 -0.34 -0.02 0.00 0.25 0.00 0.00 55.06 55.06 1men s HIS 108 Cb -0.11 -0.82 -0.10 0.00 -1.18 0.00 0.00 32.58 30.37 1men s HIS 108 CO 0.01 -0.20 2.17 -0.35 -0.65 0.00 0.00 174.74 175.72 1men n PRO 109 N 3.77 1.12 -3.80 2.88 -0.04 -1.26 -1.19 135.00 136.48 1men n PRO 109 Ca -0.23 -0.37 -0.08 0.00 -0.04 0.00 0.00 63.50 62.78 1men n PRO 109 Cb 0.52 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1men n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1men s SER 110 N 2.12 -0.29 -0.87 3.54 1.04 -0.24 -4.51 113.70 114.50 1men s SER 110 Ca 0.25 -0.54 -0.18 0.00 0.48 0.00 0.00 55.95 55.96 1men s SER 110 Cb 0.12 0.70 0.15 0.00 0.10 0.00 0.00 66.02 67.08 1men s SER 110 CO 0.00 -1.27 1.00 -0.76 0.98 0.00 0.00 173.24 173.19 1men s LEU 111 N -2.90 5.47 0.71 2.42 1.43 -1.25 -2.69 118.68 121.87 1men s LEU 111 Ca 0.10 -2.12 -0.16 0.00 -1.03 0.00 0.00 54.13 50.92 1men s LEU 111 Cb -0.05 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 1men s LEU 111 CO 0.04 -0.96 0.81 0.18 0.23 0.00 0.00 176.35 176.65 1men n LEU 112 N 5.95 2.58 0.00 1.79 4.77 -1.26 -1.21 117.00 129.62 1men n LEU 112 Ca 0.18 0.65 0.02 0.00 -0.03 0.00 0.00 56.01 56.84 1men n LEU 112 Cb 0.48 -1.34 0.14 0.00 -2.33 0.00 0.00 43.42 40.37 1men n LEU 112 CO 0.47 -2.40 0.52 -0.81 -1.33 0.00 0.00 177.39 173.84 1men n PRO 113 N -1.40 0.85 -2.35 3.23 -0.04 -1.26 -5.08 135.00 128.95 1men n PRO 113 Ca 0.12 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.23 1men n PRO 113 Cb 0.49 -1.09 -0.01 0.00 -0.04 0.00 0.00 33.50 32.85 1men n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1men s SER 114 N -1.30 5.95 -1.26 3.54 0.01 -0.35 -4.19 113.70 116.10 1men s SER 114 Ca 0.07 2.11 -0.17 0.00 1.31 0.00 0.00 55.95 59.27 1men s SER 114 Cb 0.03 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.70 1men s SER 114 CO 0.06 -1.06 0.60 0.49 0.41 0.00 0.00 173.24 173.73 1men n PHE 115 N -1.13 -1.65 -1.06 2.43 3.72 -1.26 -4.43 117.46 114.09 1men n PHE 115 Ca 0.11 0.44 -0.29 0.00 -0.05 0.00 0.00 57.45 57.66 1men n PHE 115 Cb 0.51 -3.29 0.19 0.00 -0.94 0.00 0.00 39.48 35.95 1men n PHE 115 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1men s LYS 116 N -6.64 0.22 1.04 -1.08 1.02 -1.26 -4.64 119.74 108.40 1men s LYS 116 Ca 0.32 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.89 1men s LYS 116 Cb -0.14 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 1men s LYS 116 CO 0.91 -2.89 0.00 0.41 -0.92 0.00 0.00 175.35 172.86 1men n GLY 117 N -0.76 -2.07 3.90 -3.33 0.00 -1.26 -4.86 105.19 96.81 1men n GLY 117 Ca 0.05 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 1men n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1men s SER 118 N -4.00 5.91 -1.16 1.61 1.04 -1.26 -4.29 113.70 111.54 1men s SER 118 Ca 0.00 0.92 -0.07 0.00 0.48 0.00 0.00 55.95 57.28 1men s SER 118 Cb 0.00 -2.02 0.01 0.00 0.10 0.00 0.00 66.02 64.11 1men s SER 118 CO 0.00 -0.89 1.01 0.59 0.98 0.00 0.00 173.24 174.94 1men n ASN 119 N -2.52 -5.31 -0.28 7.02 4.13 -1.26 -4.89 115.26 112.14 1men n ASN 119 Ca 0.03 -0.48 0.04 0.00 1.68 0.00 0.00 54.58 55.86 1men n ASN 119 Cb 0.56 -4.46 0.19 0.00 -1.54 0.00 0.00 39.78 34.53 1men n ASN 119 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1men h ALA 120 N 0.87 1.17 -0.87 5.41 0.00 -1.82 0.37 119.26 124.40 1men h ALA 120 Ca -0.50 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1men h ALA 120 Cb 1.32 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1men h ALA 120 CO 0.48 -0.03 0.57 0.45 0.00 0.00 0.00 179.25 180.72 1men h HIS 121 N 0.66 1.05 -0.35 0.00 3.86 -1.91 0.19 115.15 118.65 1men h HIS 121 Ca 0.42 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.54 1men h HIS 121 Cb 0.50 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1men h HIS 121 CO -0.09 0.61 -0.26 0.93 0.86 0.00 0.00 177.93 179.98 1men h GLU 122 N 1.09 0.72 -0.13 2.45 5.08 -1.36 -0.85 114.58 121.57 1men h GLU 122 Ca 0.34 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1men h GLU 122 Cb 0.02 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1men h GLU 122 CO -0.10 0.90 0.02 1.96 -1.00 0.00 0.00 179.01 180.79 1men h GLN 123 N 0.62 0.21 -0.81 2.33 4.20 0.11 -1.03 115.11 120.75 1men h GLN 123 Ca 0.08 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.78 1men h GLN 123 Cb 0.76 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 1men h GLN 123 CO 0.06 0.39 0.50 0.00 -0.67 0.00 0.00 178.83 179.12 1men h ALA 124 N 0.81 1.08 -0.20 3.87 0.00 -0.47 -0.44 119.26 123.91 1men h ALA 124 Ca 0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1men h ALA 124 Cb 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1men h ALA 124 CO 0.00 0.28 -0.60 -0.07 0.00 0.00 0.00 179.25 178.87 1men h LEU 125 N 0.96 0.73 -0.74 0.00 3.38 -1.02 -1.61 115.31 117.01 1men h LEU 125 Ca 0.34 -0.41 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1men h LEU 125 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1men h LEU 125 CO -0.14 1.16 -0.51 -0.08 0.09 0.00 0.00 178.44 178.96 1men h GLU 126 N 0.49 0.30 -0.07 1.13 4.57 -0.85 -3.23 114.58 116.92 1men h GLU 126 Ca -0.00 -0.18 -0.13 0.00 -1.18 0.00 0.00 59.36 57.87 1men h GLU 126 Cb 1.17 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1men h GLU 126 CO 0.12 0.74 -0.46 1.15 -1.18 0.00 0.00 179.01 179.38 1men h THR 127 N 0.24 1.40 0.00 0.32 2.02 -1.03 -3.49 112.91 112.37 1men h THR 127 Ca 0.01 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.34 1men h THR 127 Cb 0.98 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1men h THR 127 CO 0.08 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.13 1men n GLY 128 N 0.77 1.21 3.73 2.16 0.00 -0.61 -5.09 105.19 107.36 1men n GLY 128 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1men n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1men s VAL 129 N -2.00 2.66 -1.24 1.61 -7.23 -1.20 -4.91 120.40 108.09 1men s VAL 129 Ca 0.00 0.26 0.12 0.00 -1.81 0.00 0.00 61.98 60.56 1men s VAL 129 Cb 0.00 -2.66 0.02 0.00 0.56 0.00 0.00 36.38 34.31 1men s VAL 129 CO 0.00 -0.23 0.76 0.35 -0.31 0.00 0.00 175.10 175.67 1men n THR 130 N -3.26 0.00 -3.89 5.32 -2.24 -1.26 -4.80 114.28 104.15 1men n THR 130 Ca 0.11 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.32 1men n THR 130 Cb 0.52 1.18 -0.16 0.00 -2.10 0.00 0.00 70.33 69.76 1men n THR 130 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1men s VAL 131 N -1.43 0.11 0.00 2.28 1.01 -1.26 -1.18 120.40 119.92 1men s VAL 131 Ca 0.11 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1men s VAL 131 Cb 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.26 1men s VAL 131 CO 0.27 0.13 0.00 1.07 0.00 0.00 0.00 175.10 176.57 1men n THR 132 N 4.15 0.00 -0.52 3.92 5.66 -0.36 -4.94 114.28 122.20 1men n THR 132 Ca -0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1men n THR 132 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1men n THR 132 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1men n GLY 133 N 0.08 -0.48 3.20 1.09 0.00 -1.26 0.14 105.19 107.96 1men n GLY 133 Ca 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 1men n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1men s THR 135 N -3.58 0.01 -0.10 0.00 -1.32 -0.33 -1.84 115.64 108.48 1men s THR 135 Ca 0.03 -0.12 -0.02 0.00 -1.21 0.00 0.00 61.69 60.37 1men s THR 135 Cb 0.04 -0.22 -0.03 0.00 -1.51 0.00 0.00 72.50 70.78 1men s THR 135 CO -0.09 -0.07 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.52 1men s VAL 136 N -0.17 3.97 0.11 5.08 1.01 -0.51 -0.98 120.40 128.91 1men s VAL 136 Ca -0.02 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 1men s VAL 136 Cb -0.02 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.71 1men s VAL 136 CO 0.00 0.56 0.37 -1.38 0.00 0.00 0.00 175.10 174.66 1men s HIS 137 N -0.42 -0.16 0.42 5.22 -0.00 -0.32 -1.00 115.29 119.03 1men s HIS 137 Ca 0.07 -0.13 -0.24 0.00 -0.00 0.00 0.00 55.06 54.76 1men s HIS 137 Cb -0.12 0.21 -0.08 0.00 -0.00 0.00 0.00 32.58 32.58 1men s HIS 137 CO 0.02 -0.66 1.10 -0.06 -0.00 0.00 0.00 174.74 175.14 1men s PHE 138 N -3.61 3.13 -0.09 0.38 0.08 -0.06 -0.50 117.98 117.31 1men s PHE 138 Ca 0.02 1.60 -0.23 0.00 0.12 0.00 0.00 56.93 58.44 1men s PHE 138 Cb 0.02 -3.24 -0.03 0.00 -0.57 0.00 0.00 43.02 39.19 1men s PHE 138 CO -0.10 -0.98 0.68 0.08 -0.10 0.00 0.00 175.22 174.80 1men s VAL 139 N -1.59 5.05 0.30 -0.44 1.01 -0.69 -3.48 120.40 120.56 1men s VAL 139 Ca 0.59 1.39 0.09 0.00 0.00 0.00 0.00 61.98 64.06 1men s VAL 139 Cb -0.25 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 1men s VAL 139 CO 0.31 0.23 -0.12 0.00 0.00 0.00 0.00 175.10 175.52 1men s ALA 140 N 0.96 2.69 0.14 5.51 0.00 -1.26 -4.70 121.76 125.10 1men s ALA 140 Ca 0.36 -1.96 -0.21 0.00 0.00 0.00 0.00 51.96 50.15 1men s ALA 140 Cb -0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1men s ALA 140 CO 0.16 0.10 1.67 0.93 0.00 0.00 0.00 175.76 178.63 1men h GLU 141 N 2.19 -0.15 -5.48 0.00 5.08 -1.92 -3.32 114.58 110.98 1men h GLU 141 Ca -0.41 0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.31 1men h GLU 141 Cb 1.25 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.38 1men h GLU 141 CO 0.66 -0.10 0.17 0.16 -1.00 0.00 0.00 179.01 178.90 1men s ASP 142 N -5.08 6.34 0.00 1.42 -4.77 -1.26 -4.89 116.67 108.43 1men s ASP 142 Ca -0.14 -0.28 0.00 0.00 -3.30 0.00 0.00 52.55 48.82 1men s ASP 142 Cb 0.11 -2.33 0.00 0.00 -1.09 0.00 0.00 42.92 39.61 1men s ASP 142 CO 0.68 -0.80 0.00 1.33 0.70 0.00 0.00 175.17 177.08 1men n VAL 143 N 5.90 0.00 0.03 2.11 0.24 -1.25 -0.77 118.33 124.58 1men n VAL 143 Ca -0.01 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.30 1men n VAL 143 Cb 0.48 -0.03 -0.01 0.00 -1.47 0.00 0.00 33.84 32.80 1men n VAL 143 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1men n ASP 144 N 0.28 3.25 -1.17 -1.34 8.00 -1.26 -4.68 116.55 119.64 1men n ASP 144 Ca 0.00 -0.16 0.09 0.00 0.71 0.00 0.00 54.79 55.44 1men n ASP 144 Cb 0.00 1.06 0.28 0.00 -0.02 0.00 0.00 41.12 42.44 1men n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1men n ALA 145 N -1.41 2.45 -1.65 2.24 0.00 0.05 -4.98 120.51 117.21 1men n ALA 145 Ca -0.00 -1.34 -0.51 0.00 0.00 0.00 0.00 53.44 51.58 1men n ALA 145 Cb 0.04 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1men n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1men n GLY 146 N 1.16 1.11 3.66 0.00 0.00 -1.26 -4.84 105.19 105.02 1men n GLY 146 Ca 0.21 0.89 -0.43 0.00 0.00 0.00 0.00 46.02 46.70 1men n GLY 146 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1men s GLN 147 N 4.36 4.19 0.16 1.61 -1.52 -1.23 -4.76 119.66 122.48 1men s GLN 147 Ca 0.98 1.95 -0.30 0.00 -1.95 0.00 0.00 55.36 56.04 1men s GLN 147 Cb -0.82 -3.90 -0.08 0.00 -0.22 0.00 0.00 33.01 28.00 1men s GLN 147 CO 0.55 -0.80 1.22 0.42 -0.25 0.00 0.00 175.29 176.43 1men s ILE 148 N 3.84 3.59 -0.25 1.08 1.01 -1.26 -0.88 121.20 128.33 1men s ILE 148 Ca 0.65 1.29 -0.10 0.00 0.00 0.00 0.00 60.65 62.49 1men s ILE 148 Cb -0.28 -3.82 -0.12 0.00 0.01 0.00 0.00 42.46 38.25 1men s ILE 148 CO 0.23 0.18 -0.30 -0.38 0.00 0.00 0.00 174.94 174.67 1men n ILE 149 N 2.82 1.37 -3.75 2.92 5.41 -0.17 -4.94 119.36 123.02 1men n ILE 149 Ca 0.06 -0.38 -0.12 0.00 1.00 0.00 0.00 62.75 63.31 1men n ILE 149 Cb 0.45 -1.75 -0.08 0.00 -0.71 0.00 0.00 39.64 37.55 1men n ILE 149 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1men s LEU 150 N -7.18 0.87 0.03 1.39 1.02 -1.15 -5.02 118.68 108.64 1men s LEU 150 Ca -0.34 -0.11 -0.11 0.00 0.02 0.00 0.00 54.13 53.59 1men s LEU 150 Cb 0.13 1.33 0.01 0.00 0.02 0.00 0.00 46.19 47.68 1men s LEU 150 CO 0.46 -0.57 0.24 -1.10 0.02 0.00 0.00 176.35 175.40 1men s GLN 151 N -2.18 0.71 -0.07 1.70 -0.21 -1.26 -1.42 119.66 116.92 1men s GLN 151 Ca -0.08 -0.52 -0.03 0.00 0.02 0.00 0.00 55.36 54.76 1men s GLN 151 Cb -0.02 0.30 0.04 0.00 1.00 0.00 0.00 33.01 34.33 1men s GLN 151 CO -0.01 -0.21 0.14 -2.00 -2.12 0.00 0.00 175.29 171.09 1men s GLU 152 N -2.30 0.03 0.45 2.91 2.12 -0.77 -5.00 118.70 116.15 1men s GLU 152 Ca -0.07 0.47 -0.21 0.00 0.36 0.00 0.00 54.97 55.52 1men s GLU 152 Cb -0.02 -0.27 -0.09 0.00 0.26 0.00 0.00 34.13 34.01 1men s GLU 152 CO -0.02 -0.26 1.03 0.00 -0.54 0.00 0.00 175.26 175.47 1men s ALA 153 N 1.90 2.96 -0.03 6.30 0.00 -1.26 -1.85 121.76 129.78 1men s ALA 153 Ca -0.01 0.61 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 1men s ALA 153 Cb -0.12 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.79 1men s ALA 153 CO -0.05 -0.22 0.03 0.08 0.00 0.00 0.00 175.76 175.59 1men s VAL 154 N -1.91 -0.03 0.36 0.00 1.01 0.36 -4.86 120.40 115.34 1men s VAL 154 Ca 0.64 0.24 -0.28 0.00 0.00 0.00 0.00 61.98 62.58 1men s VAL 154 Cb -0.17 -0.13 -0.10 0.00 0.00 0.00 0.00 36.38 35.98 1men s VAL 154 CO 0.21 0.12 1.34 -2.16 0.00 0.00 0.00 175.10 174.61 1men s PRO 155 N 1.29 4.18 -0.22 2.72 0.04 -1.26 -1.22 135.00 140.52 1men s PRO 155 Ca -0.06 2.27 -0.09 0.00 0.04 0.00 0.00 61.00 63.16 1men s PRO 155 Cb -0.13 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 1men s PRO 155 CO -0.03 -0.36 0.12 0.08 0.04 0.00 0.00 177.00 176.85 1men s VAL 156 N -1.17 5.02 0.15 -0.36 1.01 -0.33 -4.85 120.40 119.87 1men s VAL 156 Ca 0.52 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.46 1men s VAL 156 Cb -0.41 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1men s VAL 156 CO 0.54 0.38 0.48 -0.54 0.00 0.00 0.00 175.10 175.95 1men s LYS 157 N 0.95 3.81 0.30 2.72 1.02 -1.26 -4.79 119.74 122.48 1men s LYS 157 Ca 0.06 0.24 -0.29 0.00 0.02 0.00 0.00 55.97 56.00 1men s LYS 157 Cb -0.13 -2.86 -0.10 0.00 -0.52 0.00 0.00 37.83 34.21 1men s LYS 157 CO 0.03 0.46 1.32 1.03 -0.92 0.00 0.00 175.35 177.27 1men s ARG 158 N -2.28 4.36 0.00 1.68 0.52 -1.26 -1.96 118.95 120.00 1men s ARG 158 Ca 0.39 2.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.79 1men s ARG 158 Cb -0.13 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.24 1men s ARG 158 CO 0.20 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.72 1men n GLY 159 N 1.21 0.58 3.80 -3.53 0.00 -1.26 -5.04 105.19 100.94 1men n GLY 159 Ca 0.02 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1men n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1men s ASP 160 N -2.39 7.19 0.35 1.61 1.01 -0.83 -5.07 116.67 118.54 1men s ASP 160 Ca 0.00 1.74 0.08 0.00 0.71 0.00 0.00 52.55 55.08 1men s ASP 160 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1men s ASP 160 CO 0.00 -0.15 0.20 0.42 0.21 0.00 0.00 175.17 175.86 1men s THR 161 N -1.78 3.10 0.56 -1.27 -4.23 -1.26 -4.95 115.64 105.81 1men s THR 161 Ca 0.53 -1.58 0.25 0.00 -1.18 0.00 0.00 61.69 59.70 1men s THR 161 Cb -0.15 -3.04 0.33 0.00 1.34 0.00 0.00 72.50 70.97 1men s THR 161 CO 0.20 -0.16 2.20 1.62 -0.54 0.00 0.00 174.62 177.94 1men h VAL 162 N 1.42 0.70 0.33 2.29 3.04 -1.98 -1.72 116.25 120.34 1men h VAL 162 Ca -0.44 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.24 1men h VAL 162 Cb 1.25 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1men h VAL 162 CO 0.62 0.00 -0.16 0.00 -1.01 0.00 0.00 177.57 177.02 1men h ALA 163 N 1.97 -0.45 0.00 3.17 0.00 -1.98 -0.77 119.26 121.20 1men h ALA 163 Ca 0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1men h ALA 163 Cb 0.07 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1men h ALA 163 CO -0.00 -0.56 -0.30 1.79 0.00 0.00 0.00 179.25 180.18 1men h THR 164 N -0.84 1.19 -0.02 0.00 1.35 -1.87 -0.19 112.91 112.54 1men h THR 164 Ca -0.05 -1.03 -0.20 0.00 -0.55 0.00 0.00 66.41 64.59 1men h THR 164 Cb 0.53 1.56 0.02 0.00 -1.73 0.00 0.00 68.15 68.52 1men h THR 164 CO 0.08 0.29 -0.76 0.25 -0.25 0.00 0.00 175.52 175.13 1men h LEU 165 N 0.00 0.69 -0.34 3.87 5.85 -1.37 -2.82 115.31 121.19 1men h LEU 165 Ca -0.00 -0.74 0.01 0.00 0.84 0.00 0.00 57.88 57.99 1men h LEU 165 Cb 0.53 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1men h LEU 165 CO 0.04 1.34 0.20 -1.28 -0.34 0.00 0.00 178.44 178.40 1men h SER 166 N 0.12 0.32 -0.85 1.25 0.87 -0.77 -0.87 113.55 113.63 1men h SER 166 Ca -0.09 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1men h SER 166 Cb 1.44 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 63.29 1men h SER 166 CO 0.15 0.24 0.51 -0.33 -0.53 0.00 0.00 176.83 176.87 1men h GLU 167 N 0.41 1.15 -0.55 2.24 3.07 -1.10 -1.01 114.58 118.78 1men h GLU 167 Ca 0.14 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 1men h GLU 167 Cb 0.00 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.65 1men h GLU 167 CO -0.06 0.81 0.01 -0.09 -1.40 0.00 0.00 179.01 178.27 1men h ARG 168 N 1.17 0.96 -0.35 2.33 2.43 -1.18 -2.74 114.38 116.99 1men h ARG 168 Ca 0.30 -0.30 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1men h ARG 168 Cb -0.05 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1men h ARG 168 CO -0.06 0.96 -0.20 0.28 -1.51 0.00 0.00 179.97 179.44 1men h VAL 169 N 0.85 1.27 -0.77 0.20 2.07 -0.81 -2.46 116.25 116.59 1men h VAL 169 Ca 0.16 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.45 1men h VAL 169 Cb 0.52 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1men h VAL 169 CO 0.03 0.42 0.51 0.11 0.02 0.00 0.00 177.57 178.65 1men h LYS 170 N 0.59 0.90 -0.77 1.57 1.57 -0.98 0.16 116.57 119.62 1men h LYS 170 Ca 0.09 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1men h LYS 170 Cb 0.67 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1men h LYS 170 CO 0.05 0.60 0.51 -0.07 -0.57 0.00 0.00 179.45 179.96 1men h LEU 171 N 0.93 0.81 -0.06 2.94 3.38 -1.15 0.26 115.31 122.43 1men h LEU 171 Ca 0.31 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 58.03 1men h LEU 171 Cb 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1men h LEU 171 CO -0.09 0.56 -1.06 0.00 0.09 0.00 0.00 178.44 177.94 1men h ALA 172 N 1.55 0.27 -0.61 1.53 0.00 -0.98 -3.26 119.26 117.75 1men h ALA 172 Ca 0.30 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1men h ALA 172 Cb 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1men h ALA 172 CO -0.09 0.89 0.31 0.93 0.00 0.00 0.00 179.25 181.29 1men h GLU 173 N 0.15 0.87 0.00 0.00 5.08 0.34 -1.91 114.58 119.11 1men h GLU 173 Ca -0.10 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1men h GLU 173 Cb 1.73 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1men h GLU 173 CO 0.18 0.69 0.00 0.72 -1.00 0.00 0.00 179.01 179.60 1men n HIS 174 N -4.53 0.29 -0.10 4.33 8.25 0.82 -1.99 115.22 122.29 1men n HIS 174 Ca 0.04 0.14 -0.15 0.00 -0.26 0.00 0.00 57.72 57.49 1men n HIS 174 Cb 0.11 -0.73 -0.06 0.00 1.12 0.00 0.00 29.99 30.44 1men n HIS 174 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1men n LYS 175 N -1.79 0.53 0.20 -0.41 5.02 -0.76 -4.38 118.16 116.58 1men n LYS 175 Ca 0.00 0.34 0.08 0.00 -2.02 0.00 0.00 58.31 56.71 1men n LYS 175 Cb 0.05 -1.55 0.39 0.00 -0.02 0.00 0.00 35.03 33.90 1men n LYS 175 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1men h ILE 176 N -1.00 0.71 -0.03 -0.18 3.07 -1.37 -2.89 117.51 115.82 1men h ILE 176 Ca -0.22 -1.33 -0.03 0.00 1.55 0.00 0.00 64.86 64.83 1men h ILE 176 Cb 1.08 1.86 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 1men h ILE 176 CO -0.14 0.29 -0.08 0.15 -1.05 0.00 0.00 178.15 177.33 1men h PHE 177 N 0.00 0.14 -0.34 0.16 3.04 -1.66 0.19 116.94 118.48 1men h PHE 177 Ca -0.00 -0.05 0.02 0.00 3.98 0.00 0.00 57.97 61.91 1men h PHE 177 Cb 0.83 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.29 1men h PHE 177 CO 0.00 0.67 0.19 -1.35 -2.02 0.00 0.00 178.31 175.80 1men h PRO 178 N -0.43 0.37 -0.79 6.41 0.11 -1.76 -0.43 132.00 135.48 1men h PRO 178 Ca -0.00 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.12 1men h PRO 178 Cb 0.67 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.65 1men h PRO 178 CO 0.02 0.25 0.50 0.00 -0.21 0.00 0.00 178.00 178.56 1men h ALA 179 N 1.16 1.04 -0.42 -0.75 0.00 -1.51 -0.27 119.26 118.51 1men h ALA 179 Ca 0.14 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1men h ALA 179 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1men h ALA 179 CO -0.07 0.31 -0.09 0.00 0.00 0.00 0.00 179.25 179.39 1men h ALA 180 N 1.34 1.05 -0.10 0.00 0.00 -0.14 -0.51 119.26 120.90 1men h ALA 180 Ca 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1men h ALA 180 Cb 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1men h ALA 180 CO -0.12 0.58 0.03 1.25 0.00 0.00 0.00 179.25 180.99 1men h LEU 181 N 0.67 0.15 -0.93 0.00 5.85 -0.45 -1.10 115.31 119.50 1men h LEU 181 Ca 0.12 -0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.74 1men h LEU 181 Cb 0.55 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 1men h LEU 181 CO 0.03 0.33 0.56 -0.61 -0.34 0.00 0.00 178.44 178.41 1men h GLN 182 N -0.03 0.85 -0.41 1.25 5.75 -0.77 0.19 115.11 121.94 1men h GLN 182 Ca 0.03 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1men h GLN 182 Cb 0.23 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1men h GLN 182 CO -0.00 0.56 0.06 -0.07 -2.65 0.00 0.00 178.83 176.73 1men h LEU 183 N 0.88 0.65 -0.30 -2.39 3.38 -0.68 0.08 115.31 116.95 1men h LEU 183 Ca 0.46 -0.27 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 1men h LEU 183 Cb 0.48 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1men h LEU 183 CO -0.27 0.76 -0.74 0.58 0.09 0.00 0.00 178.44 178.85 1men h VAL 184 N 0.53 1.32 -0.23 1.22 2.07 -0.58 -0.38 116.25 120.21 1men h VAL 184 Ca 0.12 -2.03 -0.06 0.00 0.82 0.00 0.00 66.70 65.55 1men h VAL 184 Cb 0.38 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1men h VAL 184 CO 0.01 0.63 -0.09 0.00 0.02 0.00 0.00 177.57 178.14 1men h ALA 185 N 0.76 0.32 0.00 1.67 0.00 -0.59 -2.79 119.26 118.63 1men h ALA 185 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1men h ALA 185 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1men h ALA 185 CO 0.14 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 1men n SER 186 N -4.53 0.02 0.00 0.00 3.41 0.01 -4.85 113.62 107.68 1men n SER 186 Ca -0.04 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1men n SER 186 Cb 0.32 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1men n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1men n GLY 187 N -0.00 0.85 0.36 5.00 0.00 -1.05 -4.91 105.19 105.45 1men n GLY 187 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1men n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1men h THR 188 N 0.00 1.11 -4.27 2.61 2.02 -1.35 -3.41 112.91 109.62 1men h THR 188 Ca 0.00 -0.37 -0.69 0.00 0.77 0.00 0.00 66.41 66.12 1men h THR 188 Cb 0.00 -0.05 -0.29 0.00 -1.74 0.00 0.00 68.15 66.07 1men h THR 188 CO 0.00 0.19 -0.86 -0.69 0.37 0.00 0.00 175.52 174.54 1men s VAL 189 N -5.92 2.32 0.22 3.16 1.01 -0.81 -2.96 120.40 117.42 1men s VAL 189 Ca -0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 1men s VAL 189 Cb 0.19 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1men s VAL 189 CO 0.80 0.58 0.26 -1.10 0.00 0.00 0.00 175.10 175.64 1men s GLN 190 N -0.48 1.35 -0.24 2.72 -0.21 -0.23 -4.42 119.66 118.15 1men s GLN 190 Ca 0.06 -1.51 -0.10 0.00 0.02 0.00 0.00 55.36 53.83 1men s GLN 190 Cb -0.11 0.35 -0.05 0.00 1.00 0.00 0.00 33.01 34.20 1men s GLN 190 CO 0.01 -0.49 0.14 -0.51 -2.12 0.00 0.00 175.29 172.31 1men s LEU 191 N -3.12 3.95 0.00 2.90 1.43 -1.26 0.03 118.68 122.62 1men s LEU 191 Ca 0.33 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.30 1men s LEU 191 Cb 0.04 -2.06 0.24 0.00 0.03 0.00 0.00 46.19 44.44 1men s LEU 191 CO 0.11 0.05 1.19 0.61 0.23 0.00 0.00 176.35 178.55 1men n GLY 192 N 4.41 -1.90 0.18 -3.19 0.00 0.21 -4.91 105.19 100.00 1men n GLY 192 Ca -0.15 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1men n GLY 192 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1men h GLU 193 N 0.00 0.09 -0.60 1.61 4.39 -1.99 -2.24 114.58 115.84 1men h GLU 193 Ca -0.40 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1men h GLU 193 Cb 1.15 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1men h GLU 193 CO 0.28 0.50 0.00 0.27 -1.16 0.00 0.00 179.01 178.90 1men n ASN 194 N -4.03 0.60 0.00 1.42 6.94 -1.26 -4.84 115.26 114.09 1men n ASN 194 Ca -0.02 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.62 1men n ASN 194 Cb 0.46 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 1men n ASN 194 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1men n GLY 195 N 0.19 1.19 3.90 4.83 0.00 -0.84 -4.97 105.19 109.47 1men n GLY 195 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1men n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1men s LYS 196 N -0.14 3.65 0.51 1.61 -0.14 -1.26 -4.68 119.74 119.29 1men s LYS 196 Ca 0.00 0.17 -0.20 0.00 -1.36 0.00 0.00 55.97 54.58 1men s LYS 196 Cb 0.00 -2.51 -0.07 0.00 -1.68 0.00 0.00 37.83 33.56 1men s LYS 196 CO 0.00 0.05 1.06 0.96 -0.76 0.00 0.00 175.35 176.66 1men s ILE 197 N -2.32 3.65 -0.03 2.17 -5.25 -1.26 0.68 121.20 118.85 1men s ILE 197 Ca 0.47 1.01 0.01 0.00 -0.99 0.00 0.00 60.65 61.14 1men s ILE 197 Cb -0.10 -3.41 0.02 0.00 2.95 0.00 0.00 42.46 41.92 1men s ILE 197 CO 0.34 -0.25 -0.03 0.00 -1.79 0.00 0.00 174.94 173.21 1men n TRP 199 N 3.78 0.00 -1.41 0.00 7.02 -1.26 -1.07 117.44 124.50 1men n TRP 199 Ca -0.23 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.25 1men n TRP 199 Cb 0.52 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 1men n TRP 199 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95