#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fel s ASN 2 N 0.00 6.27 0.00 2.55 2.20 -1.26 -4.90 114.94 119.80 3fel s ASN 2 Ca 0.00 -0.64 0.28 0.00 -0.94 0.00 0.00 52.86 51.57 3fel s ASN 2 Cb 0.00 -2.31 1.48 0.00 -2.00 0.00 0.00 41.25 38.42 3fel s ASN 2 CO 0.00 -0.86 1.99 0.49 -2.94 0.00 0.00 177.10 175.78 3fel n PHE 3 N 6.27 0.00 -1.85 1.54 3.01 -1.26 -4.91 117.46 120.26 3fel n PHE 3 Ca -0.04 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.05 3fel n PHE 3 Cb 0.47 -0.23 0.05 0.00 -0.01 0.00 0.00 39.48 39.75 3fel n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3fel s SER 4 N -2.46 5.08 0.00 4.37 0.01 -1.26 -4.65 113.70 114.79 3fel s SER 4 Ca 0.30 2.61 0.00 0.00 1.31 0.00 0.00 55.95 60.17 3fel s SER 4 Cb 0.19 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3fel s SER 4 CO 0.41 -1.68 0.00 0.61 0.41 0.00 0.00 173.24 172.99 3fel n GLY 5 N 0.72 1.03 3.25 3.44 0.00 -0.06 -4.93 105.19 108.64 3fel n GLY 5 Ca 0.13 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 3fel n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fel s ASN 6 N 0.00 4.36 -0.09 1.61 -0.87 -1.26 -0.51 114.94 118.17 3fel s ASN 6 Ca 0.00 -0.67 -0.02 0.00 -1.57 0.00 0.00 52.86 50.60 3fel s ASN 6 Cb 0.00 -1.71 -0.03 0.00 -0.02 0.00 0.00 41.25 39.49 3fel s ASN 6 CO 0.00 -0.09 -0.02 0.26 -2.57 0.00 0.00 177.10 174.68 3fel s TRP 7 N 1.40 3.10 -0.05 2.20 0.52 0.14 -0.55 118.94 125.70 3fel s TRP 7 Ca 0.03 0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.28 3fel s TRP 7 Cb -0.16 -1.81 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 3fel s TRP 7 CO -0.04 0.36 -0.20 -1.59 0.02 0.00 0.00 176.95 175.50 3fel s LYS 8 N -0.65 2.50 0.35 4.98 -2.85 0.10 -1.01 119.74 123.17 3fel s LYS 8 Ca 0.10 -0.81 -0.28 0.00 -1.00 0.00 0.00 55.97 53.99 3fel s LYS 8 Cb -0.12 -2.26 -0.10 0.00 -2.06 0.00 0.00 37.83 33.30 3fel s LYS 8 CO 0.02 0.50 1.26 -1.50 0.10 0.00 0.00 175.35 175.74 3fel s ILE 9 N -0.45 2.85 -0.00 3.79 2.07 -1.26 -1.14 121.20 127.06 3fel s ILE 9 Ca 0.05 0.82 0.01 0.00 -1.41 0.00 0.00 60.65 60.12 3fel s ILE 9 Cb -0.12 -3.51 -0.01 0.00 0.13 0.00 0.00 42.46 38.96 3fel s ILE 9 CO 0.01 0.17 0.01 2.30 -1.91 0.00 0.00 174.94 175.52 3fel n ILE 10 N 0.61 0.00 -3.69 2.00 -5.35 0.13 -4.88 119.36 108.18 3fel n ILE 10 Ca 0.01 -0.01 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 3fel n ILE 10 Cb 0.43 0.37 -0.08 0.00 -1.74 0.00 0.00 39.64 38.62 3fel n ILE 10 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3fel s ARG 11 N -2.04 0.75 -0.05 6.28 3.52 -1.11 -4.99 118.95 121.30 3fel s ARG 11 Ca -0.00 0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 55.65 3fel s ARG 11 Cb 0.00 0.34 0.02 0.00 -1.56 0.00 0.00 34.95 33.76 3fel s ARG 11 CO 0.02 -0.20 0.13 0.45 -0.81 0.00 0.00 175.30 174.90 3fel s SER 12 N -0.99 -0.13 -0.04 -2.12 0.15 -1.26 -0.85 113.70 108.46 3fel s SER 12 Ca -0.10 0.27 -0.04 0.00 0.70 0.00 0.00 55.95 56.78 3fel s SER 12 Cb -0.03 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 3fel s SER 12 CO 0.05 -0.07 0.12 -1.83 1.20 0.00 0.00 173.24 172.71 3fel s GLU 13 N 0.39 0.17 -1.44 5.44 -1.05 -0.35 -4.90 118.70 116.95 3fel s GLU 13 Ca -0.03 0.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.91 3fel s GLU 13 Cb -0.04 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 3fel s GLU 13 CO -0.02 -0.02 0.00 0.09 0.95 0.00 0.00 175.26 176.26 3fel n ASN 14 N 2.89 -4.63 0.20 0.83 3.02 -1.26 -1.73 115.26 114.57 3fel n ASN 14 Ca -0.13 0.32 -0.15 0.00 -0.03 0.00 0.00 54.58 54.60 3fel n ASN 14 Cb 0.59 -3.36 -0.08 0.00 -0.61 0.00 0.00 39.78 36.32 3fel n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3fel h PHE 15 N 0.00 -0.43 -0.19 3.10 3.57 -1.91 -0.57 116.94 120.51 3fel h PHE 15 Ca -0.28 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.15 3fel h PHE 15 Cb 0.91 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 3fel h PHE 15 CO 0.38 -0.19 -0.14 0.93 -2.23 0.00 0.00 178.31 177.06 3fel h GLU 16 N -0.58 0.31 -0.64 1.11 5.08 -1.96 -2.47 114.58 115.43 3fel h GLU 16 Ca -0.05 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3fel h GLU 16 Cb 0.43 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3fel h GLU 16 CO 0.08 0.46 0.10 1.49 -1.00 0.00 0.00 179.01 180.14 3fel h GLU 17 N 0.29 1.07 -0.77 2.33 4.57 -1.92 -0.17 114.58 119.98 3fel h GLU 17 Ca 0.06 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 3fel h GLU 17 Cb 0.43 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 3fel h GLU 17 CO 0.03 1.00 0.38 1.25 -1.18 0.00 0.00 179.01 180.48 3fel h LEU 18 N 0.99 0.99 -0.58 1.64 5.85 -0.83 -2.44 115.31 120.93 3fel h LEU 18 Ca 0.19 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 3fel h LEU 18 Cb 0.45 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3fel h LEU 18 CO 0.01 0.84 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.81 3fel h LEU 19 N 1.08 1.04 -1.06 2.25 3.38 -1.11 -2.88 115.31 118.01 3fel h LEU 19 Ca 0.26 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3fel h LEU 19 Cb 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3fel h LEU 19 CO -0.04 1.13 0.63 0.50 0.09 0.00 0.00 178.44 180.76 3fel h LYS 20 N 0.94 1.19 0.00 1.13 3.64 -0.89 -0.04 116.57 122.54 3fel h LYS 20 Ca 0.15 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3fel h LYS 20 Cb 0.65 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3fel h LYS 20 CO 0.04 0.79 -0.06 -0.24 -2.27 0.00 0.00 179.45 177.72 3fel h VAL 21 N 1.23 0.10 -0.00 2.00 3.04 -1.36 -2.06 116.25 119.19 3fel h VAL 21 Ca 0.38 -1.11 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 3fel h VAL 21 Cb -0.01 2.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3fel h VAL 21 CO -0.11 0.06 -0.00 0.18 -1.01 0.00 0.00 177.57 176.68 3fel n LEU 22 N -3.12 0.01 0.00 3.16 4.77 -0.96 -4.90 117.00 115.97 3fel n LEU 22 Ca 0.04 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3fel n LEU 22 Cb 0.54 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3fel n LEU 22 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3fel n GLY 23 N 1.12 0.56 3.69 -0.72 0.00 -0.77 -5.05 105.19 104.01 3fel n GLY 23 Ca 0.20 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3fel n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fel s VAL 24 N -2.00 4.39 0.80 1.61 1.01 -0.07 -5.00 120.40 121.14 3fel s VAL 24 Ca 0.00 1.70 -0.11 0.00 0.00 0.00 0.00 61.98 63.57 3fel s VAL 24 Cb 0.00 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.36 3fel s VAL 24 CO 0.00 -0.00 1.09 0.54 0.00 0.00 0.00 175.10 176.73 3fel s ASN 25 N 1.39 4.25 0.38 3.32 2.20 -1.26 -4.37 114.94 120.85 3fel s ASN 25 Ca 0.54 1.77 0.06 0.00 -0.94 0.00 0.00 52.86 54.29 3fel s ASN 25 Cb -0.23 -2.46 0.77 0.00 -2.00 0.00 0.00 41.25 37.33 3fel s ASN 25 CO 0.21 -2.19 1.99 1.62 -2.94 0.00 0.00 177.10 175.78 3fel h VAL 26 N -1.24 1.14 -0.43 3.54 3.04 -1.99 -0.83 116.25 119.49 3fel h VAL 26 Ca -0.45 -0.44 -0.02 0.00 -1.01 0.00 0.00 66.70 64.79 3fel h VAL 26 Cb 1.24 0.71 -0.02 0.00 -2.01 0.00 0.00 31.29 31.21 3fel h VAL 26 CO 0.52 0.17 0.20 -0.03 -1.01 0.00 0.00 177.57 177.41 3fel h MET 27 N 0.51 0.62 -0.12 4.17 1.85 -2.00 -1.13 114.93 118.84 3fel h MET 27 Ca 0.13 -0.10 -0.16 0.00 -0.61 0.00 0.00 59.70 58.96 3fel h MET 27 Cb 0.10 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 3fel h MET 27 CO -0.01 0.55 -0.60 -0.07 -0.40 0.00 0.00 176.91 176.37 3fel h LEU 28 N 0.55 0.44 -0.41 3.39 3.38 -1.67 -2.21 115.31 118.79 3fel h LEU 28 Ca 0.15 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3fel h LEU 28 Cb 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3fel h LEU 28 CO -0.02 0.94 0.27 0.03 0.09 0.00 0.00 178.44 179.75 3fel h ARG 29 N 0.29 0.53 -0.19 1.13 3.08 -0.99 0.14 114.38 118.37 3fel h ARG 29 Ca -0.01 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3fel h ARG 29 Cb 1.13 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 3fel h ARG 29 CO 0.10 0.35 -0.16 0.87 -1.07 0.00 0.00 179.97 180.07 3fel h LYS 30 N 0.55 0.31 -0.47 0.04 1.79 -1.06 0.02 116.57 117.74 3fel h LYS 30 Ca 0.15 -0.08 -0.12 0.00 -2.18 0.00 0.00 60.65 58.41 3fel h LYS 30 Cb -0.06 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 3fel h LYS 30 CO -0.04 0.47 -0.19 0.82 -1.08 0.00 0.00 179.45 179.43 3fel h ILE 31 N 0.29 1.27 -0.90 1.86 2.04 -1.17 -2.48 117.51 118.42 3fel h ILE 31 Ca 0.05 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 3fel h ILE 31 Cb 0.45 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3fel h ILE 31 CO 0.03 0.46 0.53 0.00 0.00 0.00 0.00 178.15 179.18 3fel h ALA 32 N 0.94 1.25 -0.45 1.87 0.00 0.50 -0.68 119.26 122.69 3fel h ALA 32 Ca 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3fel h ALA 32 Cb 0.76 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3fel h ALA 32 CO 0.06 0.64 0.12 0.28 0.00 0.00 0.00 179.25 180.35 3fel h VAL 33 N 1.24 1.23 -0.28 0.00 2.07 -0.88 -1.07 116.25 118.56 3fel h VAL 33 Ca 0.32 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3fel h VAL 33 Cb -0.04 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3fel h VAL 33 CO -0.06 0.28 0.12 0.00 0.02 0.00 0.00 177.57 177.93 3fel h ALA 34 N 0.98 0.33 0.00 1.67 0.00 -1.10 -2.71 119.26 118.43 3fel h ALA 34 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fel h ALA 34 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fel h ALA 34 CO -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.97 3fel h ALA 35 N 1.17 1.00 -0.53 0.00 0.00 -0.71 -2.70 119.26 117.49 3fel h ALA 35 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fel h ALA 35 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3fel h ALA 35 CO -0.11 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.14 3fel n ALA 36 N -1.87 3.76 -1.94 0.00 0.00 -0.44 -4.51 120.51 115.51 3fel n ALA 36 Ca 0.01 -1.74 -0.41 0.00 0.00 0.00 0.00 53.44 51.31 3fel n ALA 36 Cb 0.22 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 3fel n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fel s SER 37 N -0.71 7.08 -1.30 0.00 0.01 -1.02 -3.98 113.70 113.78 3fel s SER 37 Ca 0.50 2.31 -0.05 0.00 1.31 0.00 0.00 55.95 60.01 3fel s SER 37 Cb 0.38 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.99 3fel s SER 37 CO 0.15 -0.34 0.62 0.29 0.41 0.00 0.00 173.24 174.36 3fel n LYS 38 N 2.00 -3.35 -2.09 12.44 4.76 -1.26 -2.28 118.16 128.38 3fel n LYS 38 Ca 0.03 0.51 -0.38 0.00 -2.87 0.00 0.00 58.31 55.60 3fel n LYS 38 Cb 0.44 -4.70 0.01 0.00 -1.84 0.00 0.00 35.03 28.93 3fel n LYS 38 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3fel s PRO 39 N -6.15 3.63 -0.11 1.97 0.04 -1.26 -4.40 135.00 128.73 3fel s PRO 39 Ca 0.13 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 3fel s PRO 39 Cb -0.04 -2.43 0.03 0.00 0.04 0.00 0.00 34.50 32.09 3fel s PRO 39 CO 0.85 -0.71 -0.06 0.00 0.04 0.00 0.00 177.00 177.12 3fel s ALA 40 N -1.43 1.27 -0.31 8.56 0.00 0.14 -4.23 121.76 125.76 3fel s ALA 40 Ca 0.64 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.00 3fel s ALA 40 Cb -0.33 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 21.88 3fel s ALA 40 CO 0.41 -0.47 0.11 0.08 0.00 0.00 0.00 175.76 175.89 3fel s VAL 41 N 1.73 4.13 -0.25 0.00 1.01 -0.18 -0.58 120.40 126.27 3fel s VAL 41 Ca 0.04 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 3fel s VAL 41 Cb -0.13 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3fel s VAL 41 CO -0.08 0.03 0.13 -0.70 0.00 0.00 0.00 175.10 174.48 3fel s GLU 42 N 1.52 3.88 -0.10 2.72 2.12 0.11 0.28 118.70 129.23 3fel s GLU 42 Ca 0.03 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.01 3fel s GLU 42 Cb -0.18 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 3fel s GLU 42 CO 0.04 -0.09 -0.17 0.42 -0.54 0.00 0.00 175.26 174.91 3fel s ILE 43 N 1.44 2.68 -0.26 -3.70 1.01 0.33 -0.55 121.20 122.16 3fel s ILE 43 Ca 0.06 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.93 3fel s ILE 43 Cb -0.15 -2.08 0.06 0.00 0.01 0.00 0.00 42.46 40.31 3fel s ILE 43 CO 0.06 0.55 -0.08 -0.54 0.00 0.00 0.00 174.94 174.93 3fel s LYS 44 N 0.13 2.01 -0.25 2.79 3.01 -0.14 -0.89 119.74 126.41 3fel s LYS 44 Ca -0.09 -1.33 -0.09 0.00 -1.01 0.00 0.00 55.97 53.45 3fel s LYS 44 Cb -0.15 -2.85 -0.04 0.00 -1.01 0.00 0.00 37.83 33.77 3fel s LYS 44 CO 0.06 -0.62 0.14 -1.14 0.51 0.00 0.00 175.35 174.29 3fel s GLN 45 N 1.15 3.89 -0.53 1.68 0.74 -1.26 -1.76 119.66 123.57 3fel s GLN 45 Ca -0.06 -0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.01 3fel s GLN 45 Cb -0.20 -3.49 0.14 0.00 1.10 0.00 0.00 33.01 30.56 3fel s GLN 45 CO -0.06 -0.09 0.29 -1.21 -0.55 0.00 0.00 175.29 173.68 3fel s GLU 46 N 1.43 2.12 7.66 1.67 2.02 -0.21 -4.89 118.70 128.50 3fel s GLU 46 Ca 0.06 -2.46 0.00 0.00 0.02 0.00 0.00 54.97 52.59 3fel s GLU 46 Cb -0.15 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.62 3fel s GLU 46 CO 0.07 -1.11 0.00 0.41 0.02 0.00 0.00 175.26 174.64 3fel n GLY 47 N 3.45 3.48 1.32 -1.39 0.00 -1.26 -1.29 105.19 109.51 3fel n GLY 47 Ca 0.05 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3fel n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fel n ASP 48 N 9.43 3.92 -4.66 1.61 9.92 -1.26 -4.90 116.55 130.61 3fel n ASP 48 Ca 0.00 -2.00 -0.36 0.00 -0.53 0.00 0.00 54.79 51.90 3fel n ASP 48 Cb 0.00 -0.48 -0.09 0.00 -0.64 0.00 0.00 41.12 39.91 3fel n ASP 48 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3fel s THR 49 N -1.00 5.27 -0.02 -3.53 2.01 -0.41 0.13 115.64 118.09 3fel s THR 49 Ca 0.48 0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.70 3fel s THR 49 Cb 0.25 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 3fel s THR 49 CO 0.33 0.38 -0.25 -0.36 -0.69 0.00 0.00 174.62 174.02 3fel s PHE 50 N 0.86 2.36 -0.19 4.92 0.40 0.51 -1.05 117.98 125.79 3fel s PHE 50 Ca 0.07 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 3fel s PHE 50 Cb -0.13 -1.52 0.03 0.00 0.51 0.00 0.00 43.02 41.91 3fel s PHE 50 CO 0.03 -0.05 -0.17 -0.47 0.70 0.00 0.00 175.22 175.26 3fel s TYR 51 N -0.57 2.72 -0.16 0.36 5.04 -0.72 -0.47 117.35 123.54 3fel s TYR 51 Ca 0.09 -1.68 0.01 0.00 -2.44 0.00 0.00 57.07 53.04 3fel s TYR 51 Cb -0.10 -1.84 0.02 0.00 0.35 0.00 0.00 41.96 40.39 3fel s TYR 51 CO -0.00 -0.79 -0.18 0.42 -1.34 0.00 0.00 175.55 173.65 3fel s ILE 52 N 1.30 1.90 -0.16 3.14 1.01 -0.54 -0.96 121.20 126.90 3fel s ILE 52 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3fel s ILE 52 Cb -0.14 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.60 3fel s ILE 52 CO -0.11 0.51 -0.15 -0.75 0.00 0.00 0.00 174.94 174.44 3fel s LYS 53 N 1.30 3.20 -0.21 2.79 2.20 0.29 -1.24 119.74 128.06 3fel s LYS 53 Ca 0.04 -0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 54.84 3fel s LYS 53 Cb -0.13 -2.63 -0.02 0.00 -1.51 0.00 0.00 37.83 33.53 3fel s LYS 53 CO -0.11 -0.01 0.01 -2.00 -0.36 0.00 0.00 175.35 172.88 3fel s GLU 54 N 0.88 3.62 -0.09 4.03 2.12 0.08 0.08 118.70 129.42 3fel s GLU 54 Ca -0.04 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 54.81 3fel s GLU 54 Cb -0.15 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.13 3fel s GLU 54 CO -0.01 -0.02 -0.20 -1.12 -0.54 0.00 0.00 175.26 173.37 3fel s SER 55 N 1.09 2.69 0.34 -1.70 0.01 0.25 -1.08 113.70 115.30 3fel s SER 55 Ca 0.02 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.82 3fel s SER 55 Cb -0.14 -1.23 0.01 0.00 0.21 0.00 0.00 66.02 64.87 3fel s SER 55 CO 0.02 0.12 0.12 0.35 0.41 0.00 0.00 173.24 174.25 3fel n THR 56 N 3.63 0.00 0.27 1.44 -2.24 0.14 0.25 114.28 117.77 3fel n THR 56 Ca -0.20 -1.49 0.10 0.00 -2.27 0.00 0.00 64.05 60.19 3fel n THR 56 Cb 0.53 0.09 0.74 0.00 -2.10 0.00 0.00 70.33 69.58 3fel n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fel h THR 57 N 0.92 0.83 0.00 4.28 1.35 -1.66 -3.29 112.91 115.34 3fel h THR 57 Ca -0.25 -0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.44 3fel h THR 57 Cb 0.82 1.00 -0.03 0.00 -1.73 0.00 0.00 68.15 68.21 3fel h THR 57 CO 0.41 0.00 -1.73 1.33 -0.25 0.00 0.00 175.52 175.28 3fel n VAL 58 N -4.30 0.63 -4.14 6.82 0.24 -1.26 -5.08 118.33 111.24 3fel n VAL 58 Ca -0.03 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.34 61.72 3fel n VAL 58 Cb 0.09 -0.53 -0.09 0.00 -1.47 0.00 0.00 33.84 31.83 3fel n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fel s ARG 59 N -2.37 1.14 -0.12 7.34 1.70 -1.24 -5.16 118.95 120.24 3fel s ARG 59 Ca -0.05 -1.49 -0.04 0.00 -0.47 0.00 0.00 55.73 53.68 3fel s ARG 59 Cb 0.04 0.29 0.06 0.00 -0.57 0.00 0.00 34.95 34.77 3fel s ARG 59 CO 0.47 -0.38 0.19 0.99 -1.08 0.00 0.00 175.30 175.50 3fel s THR 60 N -4.09 -0.31 0.07 4.99 2.01 -1.26 -0.69 115.64 116.37 3fel s THR 60 Ca 0.30 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.61 3fel s THR 60 Cb 0.06 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 3fel s THR 60 CO 0.07 0.07 -0.07 0.42 -0.69 0.00 0.00 174.62 174.43 3fel s THR 61 N 2.33 3.58 -0.02 -0.82 -4.23 -0.24 -4.97 115.64 111.26 3fel s THR 61 Ca 0.03 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 3fel s THR 61 Cb -0.13 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.07 3fel s THR 61 CO -0.08 0.19 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.52 3fel s GLU 62 N -2.01 0.66 0.06 3.99 2.02 -1.26 -0.74 118.70 121.42 3fel s GLU 62 Ca 0.21 -0.21 0.06 0.00 0.02 0.00 0.00 54.97 55.05 3fel s GLU 62 Cb -0.11 -0.65 -0.03 0.00 0.10 0.00 0.00 34.13 33.44 3fel s GLU 62 CO 0.13 0.08 -0.17 0.96 0.02 0.00 0.00 175.26 176.29 3fel s ILE 63 N 0.16 1.35 -0.08 -1.63 -4.36 -0.38 -5.01 121.20 111.25 3fel s ILE 63 Ca -0.02 -1.20 0.03 0.00 -0.26 0.00 0.00 60.65 59.20 3fel s ILE 63 Cb -0.06 -1.22 0.01 0.00 1.25 0.00 0.00 42.46 42.43 3fel s ILE 63 CO -0.00 0.00 -0.17 0.20 0.24 0.00 0.00 174.94 175.21 3fel s ASN 64 N -1.39 2.33 0.13 4.36 -0.87 -1.26 -1.46 114.94 116.78 3fel s ASN 64 Ca 0.03 -0.41 -0.16 0.00 -1.57 0.00 0.00 52.86 50.75 3fel s ASN 64 Cb -0.09 -1.07 0.03 0.00 -0.02 0.00 0.00 41.25 40.10 3fel s ASN 64 CO 0.02 0.08 0.41 0.72 -2.57 0.00 0.00 177.10 175.75 3fel s PHE 65 N 0.58 -0.17 -0.09 2.20 -0.12 0.38 -4.92 117.98 115.83 3fel s PHE 65 Ca -0.15 -0.15 0.04 0.00 -0.05 0.00 0.00 56.93 56.62 3fel s PHE 65 Cb -0.17 0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.48 3fel s PHE 65 CO 0.05 -0.72 -0.22 0.21 -0.05 0.00 0.00 175.22 174.49 3fel s LYS 66 N -3.82 2.93 -0.11 1.99 2.20 -1.26 0.19 119.74 121.87 3fel s LYS 66 Ca 0.04 -0.85 -0.35 0.00 -0.36 0.00 0.00 55.97 54.45 3fel s LYS 66 Cb 0.02 -2.31 -0.12 0.00 -1.51 0.00 0.00 37.83 33.90 3fel s LYS 66 CO -0.11 0.26 1.86 0.28 -0.36 0.00 0.00 175.35 177.28 3fel n VAL 67 N 3.30 0.54 -0.01 4.02 0.31 0.12 -1.00 118.33 125.61 3fel n VAL 67 Ca -0.18 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 3fel n VAL 67 Cb 0.53 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3fel n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fel n GLY 68 N 4.36 0.53 3.05 2.92 0.00 -0.09 -5.00 105.19 110.96 3fel n GLY 68 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 3fel n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fel s GLU 69 N -0.99 2.34 0.44 1.61 2.12 -0.17 -5.00 118.70 119.05 3fel s GLU 69 Ca 0.00 -0.59 -0.25 0.00 0.36 0.00 0.00 54.97 54.49 3fel s GLU 69 Cb 0.00 -2.04 -0.08 0.00 0.26 0.00 0.00 34.13 32.26 3fel s GLU 69 CO 0.00 -0.14 1.41 -1.21 -0.54 0.00 0.00 175.26 174.78 3fel s GLU 70 N 1.19 3.73 0.23 4.30 2.02 -1.26 -4.45 118.70 124.47 3fel s GLU 70 Ca -0.01 2.38 -0.07 0.00 0.02 0.00 0.00 54.97 57.28 3fel s GLU 70 Cb -0.14 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.40 3fel s GLU 70 CO -0.06 -0.76 0.33 -0.59 0.02 0.00 0.00 175.26 174.20 3fel s PHE 71 N -1.21 0.76 -0.13 1.61 -0.71 -0.55 -4.98 117.98 112.78 3fel s PHE 71 Ca 0.60 -1.05 -0.05 0.00 -1.04 0.00 0.00 56.93 55.39 3fel s PHE 71 Cb -0.43 -0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.19 3fel s PHE 71 CO 0.55 -0.85 0.04 -1.21 -1.34 0.00 0.00 175.22 172.41 3fel s GLU 72 N -4.01 3.48 0.00 1.99 2.02 -1.26 0.08 118.70 121.00 3fel s GLU 72 Ca 0.30 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 54.95 3fel s GLU 72 Cb 0.03 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.23 3fel s GLU 72 CO 0.11 0.52 0.00 -0.85 0.02 0.00 0.00 175.26 175.07 3fel n GLU 73 N 2.73 0.00 -4.23 1.61 0.28 -0.86 -4.94 120.64 115.22 3fel n GLU 73 Ca -0.18 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.65 3fel n GLU 73 Cb 0.53 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.29 3fel n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3fel s GLN 74 N 1.70 0.99 0.89 3.44 -0.21 -1.26 -1.78 119.66 123.43 3fel s GLN 74 Ca 0.00 -1.25 -0.12 0.00 0.02 0.00 0.00 55.36 54.01 3fel s GLN 74 Cb 0.00 -0.80 0.13 0.00 1.00 0.00 0.00 33.01 33.33 3fel s GLN 74 CO 0.00 0.15 1.14 0.95 -2.12 0.00 0.00 175.29 175.41 3fel s THR 75 N -2.32 2.01 0.56 -0.19 -4.23 0.11 -4.88 115.64 106.71 3fel s THR 75 Ca 0.09 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 60.94 3fel s THR 75 Cb -0.04 -2.79 0.37 0.00 1.34 0.00 0.00 72.50 71.38 3fel s THR 75 CO 0.02 -0.00 2.25 1.62 -0.54 0.00 0.00 174.62 177.97 3fel h VAL 76 N -1.42 0.35 -0.57 2.29 3.04 -1.99 0.14 116.25 118.10 3fel h VAL 76 Ca -0.50 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 3fel h VAL 76 Cb 1.33 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 3fel h VAL 76 CO 0.63 0.02 0.00 -0.90 -1.01 0.00 0.00 177.57 176.31 3fel n ASP 77 N -3.55 5.66 0.00 3.17 5.75 -1.26 -4.95 116.55 121.37 3fel n ASP 77 Ca -0.03 -2.93 0.00 0.00 -0.01 0.00 0.00 54.79 51.82 3fel n ASP 77 Cb 0.11 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 3fel n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fel n GLY 78 N 0.59 1.01 3.73 6.12 0.00 0.04 -5.04 105.19 111.63 3fel n GLY 78 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 3fel n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fel s ARG 79 N -0.55 4.60 0.34 1.61 0.52 -1.26 -4.70 118.95 119.51 3fel s ARG 79 Ca 0.00 1.60 -0.29 0.00 -0.52 0.00 0.00 55.73 56.52 3fel s ARG 79 Cb 0.00 -3.35 -0.11 0.00 0.52 0.00 0.00 34.95 32.02 3fel s ARG 79 CO 0.00 0.05 1.45 -2.14 0.02 0.00 0.00 175.30 174.68 3fel s PRO 80 N 0.17 4.19 0.15 3.54 0.02 -1.26 0.04 135.00 141.85 3fel s PRO 80 Ca 0.50 2.46 -0.10 0.00 0.02 0.00 0.00 61.00 63.88 3fel s PRO 80 Cb -0.26 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3fel s PRO 80 CO 0.31 -0.44 0.30 0.00 -0.33 0.00 0.00 177.00 176.84 3fel s LYS 82 N -3.92 3.86 0.16 0.00 2.20 0.23 -2.03 119.74 120.24 3fel s LYS 82 Ca 0.13 -0.28 0.11 0.00 -0.36 0.00 0.00 55.97 55.56 3fel s LYS 82 Cb 0.03 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 3fel s LYS 82 CO -0.03 0.40 -0.24 -1.12 -0.36 0.00 0.00 175.35 174.00 3fel s SER 83 N 0.02 3.21 -0.13 1.43 0.01 0.11 -0.61 113.70 117.75 3fel s SER 83 Ca 0.07 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 56.49 3fel s SER 83 Cb -0.12 -0.22 0.06 0.00 0.21 0.00 0.00 66.02 65.95 3fel s SER 83 CO 0.00 0.12 0.13 -0.22 0.41 0.00 0.00 173.24 173.68 3fel s LEU 84 N -2.35 0.10 -0.08 2.44 2.96 -0.97 -1.48 118.68 119.30 3fel s LEU 84 Ca 0.16 -0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.78 3fel s LEU 84 Cb -0.09 0.03 -0.05 0.00 0.50 0.00 0.00 46.19 46.59 3fel s LEU 84 CO 0.07 -0.30 0.38 -0.69 -1.32 0.00 0.00 176.35 174.49 3fel s VAL 85 N 2.22 5.18 0.08 1.68 1.01 -1.26 -2.50 120.40 126.81 3fel s VAL 85 Ca 0.04 0.75 0.05 0.00 0.00 0.00 0.00 61.98 62.82 3fel s VAL 85 Cb -0.14 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3fel s VAL 85 CO -0.07 0.46 -0.13 -0.54 0.00 0.00 0.00 175.10 174.82 3fel s LYS 86 N -0.19 0.84 0.24 2.72 1.02 -0.39 -0.91 119.74 123.07 3fel s LYS 86 Ca 0.22 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.87 3fel s LYS 86 Cb -0.15 -0.73 -0.09 0.00 -0.52 0.00 0.00 37.83 36.34 3fel s LYS 86 CO 0.09 0.15 1.08 -1.58 -0.92 0.00 0.00 175.35 174.17 3fel s TRP 87 N -1.72 3.63 -0.15 3.18 0.52 -1.26 -1.15 118.94 121.99 3fel s TRP 87 Ca 0.01 1.69 0.15 0.00 0.02 0.00 0.00 56.10 57.97 3fel s TRP 87 Cb -0.07 -3.24 -0.22 0.00 -1.15 0.00 0.00 33.47 28.79 3fel s TRP 87 CO 0.02 -0.45 0.10 -1.91 0.02 0.00 0.00 176.95 174.73 3fel n GLU 88 N 1.66 1.18 -3.51 4.98 2.13 0.92 -4.87 120.64 123.12 3fel n GLU 88 Ca 0.00 -0.03 -0.07 0.00 0.66 0.00 0.00 57.16 57.72 3fel n GLU 88 Cb 0.46 -1.43 0.03 0.00 0.27 0.00 0.00 31.44 30.76 3fel n GLU 88 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3fel n SER 89 N -2.56 -2.03 -0.16 4.31 2.88 -1.05 -4.96 113.62 110.06 3fel n SER 89 Ca -0.24 -2.37 0.12 0.00 -1.33 0.00 0.00 58.87 55.05 3fel n SER 89 Cb 0.97 3.37 0.46 0.00 -0.75 0.00 0.00 64.21 68.26 3fel n SER 89 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3fel h GLU 90 N 0.00 0.50 -0.11 -1.46 4.81 -2.01 -3.10 114.58 113.20 3fel h GLU 90 Ca -0.30 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3fel h GLU 90 Cb 1.11 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3fel h GLU 90 CO 0.38 0.33 0.00 0.09 -0.73 0.00 0.00 179.01 179.08 3fel n ASN 91 N -4.49 2.20 -3.79 1.04 4.13 -1.26 -4.86 115.26 108.23 3fel n ASN 91 Ca 0.13 -1.88 -0.14 0.00 1.68 0.00 0.00 54.58 54.37 3fel n ASN 91 Cb 0.43 -0.07 -0.15 0.00 -1.54 0.00 0.00 39.78 38.45 3fel n ASN 91 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3fel s LYS 92 N -0.91 -0.00 0.16 3.52 2.20 -1.17 -1.09 119.74 122.45 3fel s LYS 92 Ca 0.08 0.17 0.09 0.00 -0.36 0.00 0.00 55.97 55.95 3fel s LYS 92 Cb 0.04 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 3fel s LYS 92 CO 0.06 -0.12 -0.15 0.00 -0.36 0.00 0.00 175.35 174.78 3fel s MET 93 N 0.79 1.87 -0.03 4.03 0.23 -0.41 -0.06 119.30 125.72 3fel s MET 93 Ca -0.06 -1.30 0.03 0.00 -1.03 0.00 0.00 55.69 53.33 3fel s MET 93 Cb -0.09 -2.08 -0.00 0.00 -1.53 0.00 0.00 34.83 31.13 3fel s MET 93 CO -0.03 0.44 -0.12 0.14 -2.03 0.00 0.00 175.02 173.43 3fel s VAL 94 N -1.54 0.98 -0.17 5.16 -7.23 -0.30 -1.41 120.40 115.88 3fel s VAL 94 Ca 0.22 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 3fel s VAL 94 Cb -0.09 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 36.01 3fel s VAL 94 CO 0.13 0.29 -0.17 0.00 -0.31 0.00 0.00 175.10 175.04 3fel s GLU 96 N 1.04 3.49 -0.07 0.00 2.02 -1.04 -1.85 118.70 122.30 3fel s GLU 96 Ca -0.01 -0.20 0.04 0.00 0.02 0.00 0.00 54.97 54.82 3fel s GLU 96 Cb -0.15 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 3fel s GLU 96 CO -0.05 0.68 -0.17 -0.65 0.02 0.00 0.00 175.26 175.09 3fel s GLN 97 N -0.75 2.67 -0.13 1.61 -0.21 -1.07 -2.30 119.66 119.49 3fel s GLN 97 Ca 0.13 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.76 3fel s GLN 97 Cb -0.12 -2.36 0.02 0.00 1.00 0.00 0.00 33.01 31.55 3fel s GLN 97 CO 0.03 0.48 -0.11 0.21 -2.12 0.00 0.00 175.29 173.77 3fel s LYS 98 N -0.37 1.97 0.45 2.91 2.20 0.21 -4.53 119.74 122.58 3fel s LYS 98 Ca 0.03 -0.43 -0.24 0.00 -0.36 0.00 0.00 55.97 54.97 3fel s LYS 98 Cb -0.12 -1.87 -0.09 0.00 -1.51 0.00 0.00 37.83 34.24 3fel s LYS 98 CO 0.02 -0.23 1.23 1.28 -0.36 0.00 0.00 175.35 177.29 3fel n LEU 99 N 4.79 4.03 0.03 5.43 4.77 -1.26 0.77 117.00 135.56 3fel n LEU 99 Ca -0.15 1.07 -0.15 0.00 -0.03 0.00 0.00 56.01 56.74 3fel n LEU 99 Cb 0.50 -1.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 3fel n LEU 99 CO 0.20 -0.81 0.21 -0.07 -1.33 0.00 0.00 177.39 175.59 3fel h LEU 100 N 1.85 0.73 -7.79 2.23 3.38 -1.83 -3.43 115.31 110.44 3fel h LEU 100 Ca -0.48 -0.54 -0.49 0.00 0.09 0.00 0.00 57.88 56.47 3fel h LEU 100 Cb 1.30 -0.22 -0.35 0.00 0.09 0.00 0.00 40.66 41.48 3fel h LEU 100 CO 0.59 1.32 -0.80 -0.54 0.09 0.00 0.00 178.44 179.10 3fel s LYS 101 N -3.47 1.37 1.18 1.13 1.02 -1.26 -5.08 119.74 114.63 3fel s LYS 101 Ca -0.08 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.66 3fel s LYS 101 Cb 0.09 -1.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 3fel s LYS 101 CO 0.89 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.60 3fel n GLY 102 N 4.36 -1.73 3.46 -3.33 0.00 -1.26 -5.02 105.19 101.66 3fel n GLY 102 Ca -0.18 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.06 3fel n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fel s GLU 103 N 0.00 1.72 0.00 1.61 0.41 -1.26 -4.74 118.70 116.44 3fel s GLU 103 Ca 0.00 -1.99 0.00 0.00 -0.41 0.00 0.00 54.97 52.57 3fel s GLU 103 Cb 0.00 -0.73 0.00 0.00 -1.78 0.00 0.00 34.13 31.62 3fel s GLU 103 CO 0.00 -0.29 0.00 0.41 -0.49 0.00 0.00 175.26 174.89 3fel n GLY 104 N -0.74 -1.45 3.75 -1.39 0.00 -1.26 -5.08 105.19 99.02 3fel n GLY 104 Ca -0.03 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 3fel n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fel s PRO 105 N -1.43 2.36 -0.04 1.61 0.02 -1.26 -4.93 135.00 131.33 3fel s PRO 105 Ca 0.00 1.40 -0.30 0.00 0.02 0.00 0.00 61.00 62.12 3fel s PRO 105 Cb 0.00 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 3fel s PRO 105 CO 0.00 -1.59 1.41 -1.59 -0.33 0.00 0.00 177.00 174.90 3fel s LYS 106 N -4.36 4.26 0.05 5.54 0.00 -1.26 -4.97 119.74 119.00 3fel s LYS 106 Ca 0.66 1.94 0.08 0.00 0.00 0.00 0.00 55.97 58.65 3fel s LYS 106 Cb -0.21 -3.68 -0.03 0.00 0.00 0.00 0.00 37.83 33.91 3fel s LYS 106 CO 0.48 -0.64 -0.19 0.95 0.00 0.00 0.00 175.35 175.95 3fel s THR 107 N 2.88 2.71 0.10 3.79 -4.23 -1.26 -4.03 115.64 115.60 3fel s THR 107 Ca 0.64 -1.26 -0.12 0.00 -1.18 0.00 0.00 61.69 59.77 3fel s THR 107 Cb -0.30 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.41 3fel s THR 107 CO 0.25 0.30 0.27 -0.94 -0.54 0.00 0.00 174.62 173.96 3fel s SER 108 N -1.52 -0.02 0.10 3.99 1.04 -1.05 -2.58 113.70 113.66 3fel s SER 108 Ca 0.15 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.10 3fel s SER 108 Cb -0.10 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 3fel s SER 108 CO 0.06 -0.77 -0.08 -1.66 0.98 0.00 0.00 173.24 171.77 3fel s TRP 109 N -3.77 0.97 0.12 5.02 1.48 -0.77 -1.77 118.94 120.22 3fel s TRP 109 Ca 0.04 -0.81 0.04 0.00 -1.06 0.00 0.00 56.10 54.31 3fel s TRP 109 Cb 0.03 -0.54 -0.04 0.00 -1.16 0.00 0.00 33.47 31.76 3fel s TRP 109 CO -0.11 -0.08 -0.10 0.95 -4.06 0.00 0.00 176.95 173.56 3fel s THR 110 N -3.18 1.01 -0.05 0.66 -4.23 -0.03 0.14 115.64 109.96 3fel s THR 110 Ca 0.10 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 3fel s THR 110 Cb 0.02 -1.64 0.02 0.00 1.34 0.00 0.00 72.50 72.25 3fel s THR 110 CO -0.03 -0.69 -0.04 -0.76 -0.54 0.00 0.00 174.62 172.56 3fel s LEU 111 N -2.87 1.19 -0.02 4.79 1.43 -0.50 -2.04 118.68 120.67 3fel s LEU 111 Ca 0.12 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 3fel s LEU 111 Cb 0.01 -0.47 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 3fel s LEU 111 CO -0.00 -0.08 -0.15 -0.70 0.23 0.00 0.00 176.35 175.64 3fel s GLU 112 N 1.13 1.31 -0.31 1.70 2.12 0.32 -1.29 118.70 123.68 3fel s GLU 112 Ca -0.08 -0.55 -0.13 0.00 0.36 0.00 0.00 54.97 54.57 3fel s GLU 112 Cb -0.14 -1.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.98 3fel s GLU 112 CO -0.01 0.32 0.28 -0.51 -0.54 0.00 0.00 175.26 174.79 3fel s LEU 113 N -0.30 4.25 0.74 2.70 1.43 -0.25 -0.60 118.68 126.65 3fel s LEU 113 Ca 0.05 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 3fel s LEU 113 Cb -0.07 -2.23 0.05 0.00 0.03 0.00 0.00 46.19 43.98 3fel s LEU 113 CO -0.00 -0.19 1.09 0.42 0.23 0.00 0.00 176.35 177.89 3fel s THR 114 N 1.86 2.53 0.41 5.49 -4.23 -0.16 -4.85 115.64 116.70 3fel s THR 114 Ca 0.09 0.01 0.09 0.00 -1.18 0.00 0.00 61.69 60.71 3fel s THR 114 Cb -0.16 -3.14 0.22 0.00 1.34 0.00 0.00 72.50 70.75 3fel s THR 114 CO 0.11 -0.17 2.00 -0.55 -0.54 0.00 0.00 174.62 175.47 3fel h ASN 115 N -0.76 0.30 -0.51 3.99 -1.07 -1.99 -2.50 115.58 113.05 3fel h ASN 115 Ca -0.45 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 55.89 3fel h ASN 115 Cb 1.30 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 3fel h ASN 115 CO 0.63 0.32 0.00 -0.90 0.07 0.00 0.00 177.43 177.55 3fel n ASP 116 N -4.39 2.87 0.00 6.14 5.68 -1.26 -4.92 116.55 120.67 3fel n ASP 116 Ca 0.00 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 3fel n ASP 116 Cb 0.16 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 3fel n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fel n GLY 117 N 1.24 1.01 3.89 6.12 0.00 -0.94 -5.07 105.19 111.44 3fel n GLY 117 Ca 0.17 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3fel n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fel s GLU 118 N -1.41 3.45 -0.21 1.61 2.02 -1.26 -4.44 118.70 118.46 3fel s GLU 118 Ca 0.00 -0.18 -0.09 0.00 0.02 0.00 0.00 54.97 54.72 3fel s GLU 118 Cb 0.00 -3.16 -0.05 0.00 0.10 0.00 0.00 34.13 31.03 3fel s GLU 118 CO 0.00 0.74 0.12 -1.17 0.02 0.00 0.00 175.26 174.97 3fel s LEU 119 N -1.32 3.99 -0.14 1.80 2.96 0.18 -0.98 118.68 125.17 3fel s LEU 119 Ca 0.19 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 3fel s LEU 119 Cb -0.12 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 3fel s LEU 119 CO 0.09 0.12 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.43 3fel s ILE 120 N 0.73 2.48 -0.14 6.68 1.01 0.23 -0.44 121.20 131.74 3fel s ILE 120 Ca 0.06 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 3fel s ILE 120 Cb -0.13 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3fel s ILE 120 CO 0.02 0.53 -0.04 -0.22 0.00 0.00 0.00 174.94 175.23 3fel s LEU 121 N 0.65 3.28 0.07 2.97 0.20 -0.05 -0.52 118.68 125.28 3fel s LEU 121 Ca -0.09 -0.09 0.10 0.00 0.69 0.00 0.00 54.13 54.74 3fel s LEU 121 Cb -0.16 -1.78 -0.03 0.00 -0.43 0.00 0.00 46.19 43.79 3fel s LEU 121 CO 0.02 0.22 -0.26 0.42 -0.29 0.00 0.00 176.35 176.46 3fel s THR 122 N 0.08 2.13 -0.03 3.68 -4.23 -0.87 -1.01 115.64 115.40 3fel s THR 122 Ca -0.00 -1.50 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 3fel s THR 122 Cb -0.13 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.86 3fel s THR 122 CO 0.03 0.25 -0.10 -0.04 -0.54 0.00 0.00 174.62 174.22 3fel s MET 123 N -1.52 1.06 -0.01 3.99 -1.94 -0.62 -0.85 119.30 119.42 3fel s MET 123 Ca 0.12 -0.34 0.03 0.00 -1.71 0.00 0.00 55.69 53.79 3fel s MET 123 Cb -0.10 -0.97 -0.01 0.00 2.01 0.00 0.00 34.83 35.76 3fel s MET 123 CO 0.03 0.13 -0.11 0.99 -0.01 0.00 0.00 175.02 176.05 3fel s THR 124 N 0.18 0.86 -0.14 2.05 2.01 -0.73 -0.90 115.64 118.98 3fel s THR 124 Ca -0.03 -0.46 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 3fel s THR 124 Cb -0.09 -0.72 0.04 0.00 0.01 0.00 0.00 72.50 71.75 3fel s THR 124 CO 0.01 0.24 0.34 0.00 -0.69 0.00 0.00 174.62 174.52 3fel s ALA 125 N -0.23 -0.85 -0.24 7.40 0.00 -0.88 -2.53 121.76 124.43 3fel s ALA 125 Ca 0.04 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.13 3fel s ALA 125 Cb -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3fel s ALA 125 CO -0.00 -0.20 0.18 -0.25 0.00 0.00 0.00 175.76 175.49 3fel n ASP 126 N 3.56 -1.43 0.00 0.00 9.92 -1.26 -0.40 116.55 126.93 3fel n ASP 126 Ca -0.18 -0.28 0.00 0.00 -0.53 0.00 0.00 54.79 53.79 3fel n ASP 126 Cb 0.56 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 3fel n ASP 126 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3fel n ASP 127 N -0.39 0.00 -4.68 -2.24 5.68 -1.26 -4.97 116.55 108.69 3fel n ASP 127 Ca -0.09 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 53.85 3fel n ASP 127 Cb 0.21 -0.79 -0.09 0.00 -1.14 0.00 0.00 41.12 39.31 3fel n ASP 127 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3fel s VAL 128 N -2.89 4.81 -0.15 2.12 1.01 0.46 -5.09 120.40 120.66 3fel s VAL 128 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3fel s VAL 128 Cb 0.00 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.27 3fel s VAL 128 CO 0.00 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.73 3fel s VAL 129 N -0.07 1.91 -0.14 2.92 1.01 -1.26 -2.08 120.40 122.69 3fel s VAL 129 Ca 0.07 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 3fel s VAL 129 Cb -0.12 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3fel s VAL 129 CO 0.01 0.52 0.13 0.00 0.00 0.00 0.00 175.10 175.76 3fel s THR 131 N -0.72 1.04 -0.03 0.00 2.01 -0.70 -1.58 115.64 115.65 3fel s THR 131 Ca 0.13 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 61.74 3fel s THR 131 Cb -0.12 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 3fel s THR 131 CO 0.03 0.33 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.54 3fel s LYS 132 N 0.50 1.89 -0.04 4.92 1.02 -0.18 -1.21 119.74 126.63 3fel s LYS 132 Ca -0.10 -0.73 0.07 0.00 0.02 0.00 0.00 55.97 55.22 3fel s LYS 132 Cb -0.14 -1.71 -0.02 0.00 -0.52 0.00 0.00 37.83 35.45 3fel s LYS 132 CO 0.02 0.37 -0.24 0.08 -0.92 0.00 0.00 175.35 174.66 3fel s VAL 133 N -0.25 2.15 0.14 3.17 1.01 -0.03 -0.87 120.40 125.72 3fel s VAL 133 Ca 0.02 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.00 3fel s VAL 133 Cb -0.10 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3fel s VAL 133 CO 0.01 0.58 -0.12 -0.31 0.00 0.00 0.00 175.10 175.25 3fel s TYR 134 N -0.40 1.35 0.19 5.22 1.51 0.41 0.17 117.35 125.80 3fel s TYR 134 Ca 0.04 -0.64 0.07 0.00 -1.01 0.00 0.00 57.07 55.53 3fel s TYR 134 Cb -0.12 -0.69 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 3fel s TYR 134 CO 0.01 0.13 -0.14 0.14 -1.11 0.00 0.00 175.55 174.58 3fel s VAL 135 N -2.71 1.66 0.09 0.71 -7.23 -0.29 -0.64 120.40 111.99 3fel s VAL 135 Ca 0.13 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 3fel s VAL 135 Cb -0.01 -1.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.90 3fel s VAL 135 CO 0.02 -0.57 1.15 -0.13 -0.31 0.00 0.00 175.10 175.26 3fel s ARG 136 N -3.50 4.49 0.00 4.82 0.52 -1.26 0.03 118.95 124.04 3fel s ARG 136 Ca 0.20 1.73 0.32 0.00 -0.52 0.00 0.00 55.73 57.46 3fel s ARG 136 Cb -0.01 -3.34 1.83 0.00 0.52 0.00 0.00 34.95 33.95 3fel s ARG 136 CO 0.06 -0.15 2.18 -1.91 0.02 0.00 0.00 175.30 175.51