#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fen s ASN 2 N 0.00 5.33 0.00 2.55 3.84 -1.26 -4.95 114.94 120.46 3fen s ASN 2 Ca 0.00 -0.13 0.29 0.00 0.21 0.00 0.00 52.86 53.23 3fen s ASN 2 Cb 0.00 -1.96 1.35 0.00 -0.55 0.00 0.00 41.25 40.09 3fen s ASN 2 CO 0.00 -0.00 1.95 0.49 -2.79 0.00 0.00 177.10 176.75 3fen n PHE 3 N 4.70 0.00 -2.07 0.43 3.01 -1.26 -4.94 117.46 117.33 3fen n PHE 3 Ca -0.16 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.92 3fen n PHE 3 Cb 0.52 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 3fen n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3fen s SER 4 N -2.62 6.04 0.00 4.37 0.01 -1.26 -4.69 113.70 115.55 3fen s SER 4 Ca 0.26 2.55 0.00 0.00 1.31 0.00 0.00 55.95 60.07 3fen s SER 4 Cb 0.20 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3fen s SER 4 CO 0.49 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.72 3fen n GLY 5 N 0.61 -0.44 3.68 3.44 0.00 -0.04 -4.95 105.19 107.49 3fen n GLY 5 Ca 0.06 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 3fen n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fen s ASN 6 N -0.16 5.58 -0.02 1.61 0.01 -1.26 -0.87 114.94 119.84 3fen s ASN 6 Ca 0.00 0.15 0.07 0.00 -0.71 0.00 0.00 52.86 52.36 3fen s ASN 6 Cb 0.00 -1.83 -0.02 0.00 0.41 0.00 0.00 41.25 39.81 3fen s ASN 6 CO 0.00 0.27 -0.22 0.26 -1.51 0.00 0.00 177.10 175.90 3fen s TRP 7 N -0.21 1.93 -0.01 2.20 0.52 0.54 -0.42 118.94 123.49 3fen s TRP 7 Ca 0.07 -0.36 0.06 0.00 0.02 0.00 0.00 56.10 55.88 3fen s TRP 7 Cb -0.12 -1.24 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 3fen s TRP 7 CO 0.01 -0.03 -0.18 -1.59 0.02 0.00 0.00 176.95 175.18 3fen s LYS 8 N -0.50 1.41 0.30 4.98 -2.85 -0.24 -2.88 119.74 119.96 3fen s LYS 8 Ca 0.08 -0.67 -0.29 0.00 -1.00 0.00 0.00 55.97 54.10 3fen s LYS 8 Cb -0.08 -1.38 -0.10 0.00 -2.06 0.00 0.00 37.83 34.21 3fen s LYS 8 CO -0.01 0.38 1.21 -1.50 0.10 0.00 0.00 175.35 175.53 3fen s ILE 9 N -0.47 3.12 0.00 3.79 2.07 -1.26 -0.99 121.20 127.46 3fen s ILE 9 Ca 0.07 1.11 0.00 0.00 -1.41 0.00 0.00 60.65 60.41 3fen s ILE 9 Cb -0.07 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.81 3fen s ILE 9 CO -0.00 0.26 0.00 2.30 -1.91 0.00 0.00 174.94 175.58 3fen n ILE 10 N 1.13 0.00 -3.77 2.00 -5.35 0.33 -4.89 119.36 108.81 3fen n ILE 10 Ca -0.00 -0.06 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 3fen n ILE 10 Cb 0.43 0.55 -0.09 0.00 -1.74 0.00 0.00 39.64 38.79 3fen n ILE 10 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3fen s ARG 11 N -1.79 0.57 -0.14 6.28 0.52 -1.05 -4.98 118.95 118.35 3fen s ARG 11 Ca 0.00 -0.01 -0.08 0.00 -0.52 0.00 0.00 55.73 55.12 3fen s ARG 11 Cb 0.00 0.26 0.05 0.00 0.52 0.00 0.00 34.95 35.78 3fen s ARG 11 CO 0.00 -0.14 0.35 0.45 0.02 0.00 0.00 175.30 175.98 3fen s SER 12 N -0.88 -0.41 -0.01 0.23 0.15 -1.26 -1.04 113.70 110.48 3fen s SER 12 Ca -0.10 0.75 0.01 0.00 0.70 0.00 0.00 55.95 57.31 3fen s SER 12 Cb -0.04 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 3fen s SER 12 CO 0.03 -0.17 -0.04 -1.83 1.20 0.00 0.00 173.24 172.43 3fen s GLU 13 N 1.19 0.38 -0.76 5.44 -1.05 0.15 -4.90 118.70 119.15 3fen s GLU 13 Ca -0.08 -0.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 3fen s GLU 13 Cb -0.08 -0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.21 3fen s GLU 13 CO -0.10 0.04 0.00 0.09 0.95 0.00 0.00 175.26 176.25 3fen n ASN 14 N 3.24 -4.13 -0.03 0.83 3.02 -1.26 -1.72 115.26 115.21 3fen n ASN 14 Ca -0.16 0.18 -0.13 0.00 -0.03 0.00 0.00 54.58 54.44 3fen n ASN 14 Cb 0.57 -2.26 -0.08 0.00 -0.61 0.00 0.00 39.78 37.39 3fen n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3fen h PHE 15 N 0.00 0.16 -0.35 3.10 3.57 -1.91 -1.03 116.94 120.48 3fen h PHE 15 Ca -0.15 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.23 3fen h PHE 15 Cb 0.56 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3fen h PHE 15 CO 0.26 0.53 -0.14 1.49 -2.23 0.00 0.00 178.31 178.21 3fen h GLU 16 N -0.25 0.62 -0.63 1.11 4.81 -1.94 -2.27 114.58 116.02 3fen h GLU 16 Ca 0.01 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3fen h GLU 16 Cb 0.49 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 3fen h GLU 16 CO 0.01 0.74 0.38 0.93 -0.73 0.00 0.00 179.01 180.34 3fen h GLU 17 N 0.56 0.72 -0.56 1.92 5.08 -1.94 0.99 114.58 121.35 3fen h GLU 17 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3fen h GLU 17 Cb 0.57 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3fen h GLU 17 CO 0.04 0.48 0.33 1.25 -1.00 0.00 0.00 179.01 180.10 3fen h LEU 18 N 0.74 0.68 -0.76 1.33 5.85 -0.73 -0.91 115.31 121.52 3fen h LEU 18 Ca 0.26 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3fen h LEU 18 Cb 0.05 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3fen h LEU 18 CO -0.12 0.55 0.32 -0.07 -0.34 0.00 0.00 178.44 178.78 3fen h LEU 19 N 0.75 1.03 -0.47 2.25 3.38 -0.86 -2.69 115.31 118.70 3fen h LEU 19 Ca 0.20 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3fen h LEU 19 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3fen h LEU 19 CO -0.04 0.91 0.15 0.50 0.09 0.00 0.00 178.44 180.05 3fen h LYS 20 N 1.09 0.73 0.00 1.13 3.64 -0.23 -1.89 116.57 121.04 3fen h LYS 20 Ca 0.26 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3fen h LYS 20 Cb 0.18 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3fen h LYS 20 CO -0.02 0.69 0.00 -0.39 -2.27 0.00 0.00 179.45 177.46 3fen h VAL 21 N 0.63 0.00 -0.00 2.00 -1.51 -1.05 -1.27 116.25 115.05 3fen h VAL 21 Ca 0.15 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 3fen h VAL 21 Cb 0.27 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 3fen h VAL 21 CO -0.01 0.00 -0.10 0.18 -1.23 0.00 0.00 177.57 176.41 3fen n LEU 22 N -2.38 0.25 0.00 4.19 4.77 -0.99 -4.94 117.00 117.90 3fen n LEU 22 Ca 0.03 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3fen n LEU 22 Cb 0.31 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3fen n LEU 22 CO 0.24 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3fen n GLY 23 N 1.35 0.81 3.72 -0.72 0.00 -0.48 -5.04 105.19 104.84 3fen n GLY 23 Ca 0.12 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3fen n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fen s VAL 24 N -2.00 3.63 0.72 1.61 1.01 -0.75 -4.98 120.40 119.65 3fen s VAL 24 Ca 0.00 1.23 -0.13 0.00 0.00 0.00 0.00 61.98 63.08 3fen s VAL 24 Cb 0.00 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.63 3fen s VAL 24 CO 0.00 0.13 1.12 0.54 0.00 0.00 0.00 175.10 176.89 3fen s ASN 25 N 0.78 4.65 0.27 3.32 2.20 -1.26 -4.61 114.94 120.30 3fen s ASN 25 Ca 0.59 2.00 -0.03 0.00 -0.94 0.00 0.00 52.86 54.48 3fen s ASN 25 Cb -0.33 -2.55 0.37 0.00 -2.00 0.00 0.00 41.25 36.74 3fen s ASN 25 CO 0.32 -1.94 1.88 1.62 -2.94 0.00 0.00 177.10 176.04 3fen h VAL 26 N -0.51 1.23 -0.39 3.54 3.04 -1.98 0.12 116.25 121.29 3fen h VAL 26 Ca -0.46 -0.63 0.04 0.00 -1.01 0.00 0.00 66.70 64.65 3fen h VAL 26 Cb 1.25 0.31 -0.04 0.00 -2.01 0.00 0.00 31.29 30.80 3fen h VAL 26 CO 0.52 0.27 0.15 -0.03 -1.01 0.00 0.00 177.57 177.46 3fen h MET 27 N 1.01 0.30 -0.13 4.17 1.85 -2.00 -0.71 114.93 119.42 3fen h MET 27 Ca 0.25 -0.02 -0.13 0.00 -0.61 0.00 0.00 59.70 59.19 3fen h MET 27 Cb 0.10 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 3fen h MET 27 CO -0.03 0.20 -0.47 -0.07 -0.40 0.00 0.00 176.91 176.14 3fen h LEU 28 N 0.31 0.36 -0.40 3.39 3.38 -1.63 -2.08 115.31 118.63 3fen h LEU 28 Ca 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3fen h LEU 28 Cb 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3fen h LEU 28 CO -0.17 0.78 0.17 0.03 0.09 0.00 0.00 178.44 179.34 3fen h ARG 29 N 0.27 0.59 0.00 1.13 3.08 -0.42 -0.82 114.38 118.21 3fen h ARG 29 Ca 0.02 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 3fen h ARG 29 Cb 0.93 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3fen h ARG 29 CO 0.08 0.54 -0.38 0.87 -1.07 0.00 0.00 179.97 180.01 3fen h LYS 30 N 0.51 0.00 -0.27 0.04 1.79 -0.93 0.11 116.57 117.82 3fen h LYS 30 Ca 0.14 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.55 3fen h LYS 30 Cb 0.16 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3fen h LYS 30 CO -0.01 0.38 -0.04 0.82 -1.08 0.00 0.00 179.45 179.52 3fen h ILE 31 N 0.00 1.27 -0.60 1.86 1.08 -1.09 -1.32 117.51 118.72 3fen h ILE 31 Ca -0.00 -1.03 -0.06 0.00 -0.39 0.00 0.00 64.86 63.38 3fen h ILE 31 Cb 0.72 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 3fen h ILE 31 CO 0.05 0.33 0.14 -0.33 -0.69 0.00 0.00 178.15 177.65 3fen h GLU 32 N 0.27 0.93 -0.46 2.37 4.39 -0.57 -0.75 114.58 120.76 3fen h GLU 32 Ca 0.07 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 3fen h GLU 32 Cb 0.50 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3fen h GLU 32 CO 0.02 0.83 0.19 0.28 -1.16 0.00 0.00 179.01 179.17 3fen h VAL 33 N 0.89 1.20 0.07 3.13 2.07 -0.66 0.05 116.25 123.00 3fen h VAL 33 Ca 0.19 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3fen h VAL 33 Cb 0.32 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3fen h VAL 33 CO -0.00 0.23 -0.18 0.00 0.02 0.00 0.00 177.57 177.64 3fen h ALA 34 N 1.03 -0.28 -0.82 1.67 0.00 -0.92 -2.34 119.26 117.61 3fen h ALA 34 Ca 0.15 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3fen h ALA 34 Cb 0.18 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3fen h ALA 34 CO -0.01 -0.70 0.49 0.00 0.00 0.00 0.00 179.25 179.03 3fen h ALA 35 N 0.53 1.13 0.00 0.00 0.00 -0.86 -1.86 119.26 118.21 3fen h ALA 35 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fen h ALA 35 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3fen h ALA 35 CO -0.13 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.32 3fen n ALA 36 N -2.36 1.86 0.67 0.00 0.00 -0.02 -2.95 120.51 117.72 3fen n ALA 36 Ca 0.12 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3fen n ALA 36 Cb 0.20 -1.29 0.44 0.00 0.00 0.00 0.00 19.45 18.79 3fen n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fen n SER 37 N -1.45 0.69 -3.09 0.00 3.41 -0.70 -4.12 113.62 108.36 3fen n SER 37 Ca 0.05 0.57 -0.19 0.00 -0.26 0.00 0.00 58.87 59.05 3fen n SER 37 Cb 0.19 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.36 3fen n SER 37 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3fen n LYS 38 N -2.15 0.84 -2.94 4.33 3.00 -1.15 -5.06 118.16 115.03 3fen n LYS 38 Ca 0.06 -2.97 -0.27 0.00 -0.00 0.00 0.00 58.31 55.12 3fen n LYS 38 Cb 0.41 -1.40 -0.01 0.00 0.00 0.00 0.00 35.03 34.03 3fen n LYS 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3fen s PRO 39 N -1.24 3.58 -0.05 1.64 0.04 -1.26 -4.69 135.00 133.01 3fen s PRO 39 Ca 0.35 0.09 0.06 0.00 0.04 0.00 0.00 61.00 61.54 3fen s PRO 39 Cb 0.25 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 3fen s PRO 39 CO -0.11 -0.04 -0.23 0.00 0.04 0.00 0.00 177.00 176.66 3fen s ALA 40 N -2.50 2.01 -0.09 8.56 0.00 -0.12 -4.64 121.76 124.99 3fen s ALA 40 Ca 0.46 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.47 3fen s ALA 40 Cb -0.10 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3fen s ALA 40 CO 0.39 0.40 -0.15 0.08 0.00 0.00 0.00 175.76 176.47 3fen s VAL 41 N -0.17 1.41 -0.09 0.00 1.01 -1.14 -0.68 120.40 120.74 3fen s VAL 41 Ca -0.02 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3fen s VAL 41 Cb -0.13 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.99 3fen s VAL 41 CO 0.03 0.42 -0.20 -0.70 0.00 0.00 0.00 175.10 174.65 3fen s GLU 42 N 0.72 2.56 -0.04 2.72 2.12 -0.09 -0.34 118.70 126.34 3fen s GLU 42 Ca -0.13 -0.71 0.05 0.00 0.36 0.00 0.00 54.97 54.55 3fen s GLU 42 Cb -0.16 -1.98 -0.01 0.00 0.26 0.00 0.00 34.13 32.24 3fen s GLU 42 CO 0.03 0.11 -0.20 0.42 -0.54 0.00 0.00 175.26 175.08 3fen s ILE 43 N 0.49 1.63 -0.20 -3.70 1.01 -0.05 -0.76 121.20 119.62 3fen s ILE 43 Ca -0.17 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.65 3fen s ILE 43 Cb -0.17 -1.38 0.04 0.00 0.01 0.00 0.00 42.46 40.96 3fen s ILE 43 CO 0.06 0.46 -0.13 -0.54 0.00 0.00 0.00 174.94 174.80 3fen s LYS 44 N -0.19 2.27 -0.16 2.79 1.02 0.13 -0.86 119.74 124.75 3fen s LYS 44 Ca 0.00 -0.93 -0.02 0.00 0.02 0.00 0.00 55.97 55.04 3fen s LYS 44 Cb -0.11 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 3fen s LYS 44 CO 0.01 -0.40 -0.08 -1.14 -0.92 0.00 0.00 175.35 172.83 3fen s GLN 45 N 1.32 3.51 -0.44 1.68 0.74 -1.26 -1.01 119.66 124.20 3fen s GLN 45 Ca -0.01 -0.60 0.03 0.00 0.05 0.00 0.00 55.36 54.83 3fen s GLN 45 Cb -0.16 -2.82 0.12 0.00 1.10 0.00 0.00 33.01 31.25 3fen s GLN 45 CO -0.09 0.16 0.19 -1.21 -0.55 0.00 0.00 175.29 173.79 3fen s GLU 46 N 0.54 1.61 7.98 1.67 2.02 0.50 -4.81 118.70 128.21 3fen s GLU 46 Ca -0.05 -2.18 0.00 0.00 0.02 0.00 0.00 54.97 52.75 3fen s GLU 46 Cb -0.15 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.08 3fen s GLU 46 CO 0.03 -1.06 0.00 0.41 0.02 0.00 0.00 175.26 174.66 3fen n GLY 47 N 3.64 4.12 0.61 -1.39 0.00 -1.26 -1.47 105.19 109.44 3fen n GLY 47 Ca 0.05 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.26 3fen n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fen n ASP 48 N 8.59 1.86 -4.66 1.61 8.00 -1.26 -4.86 116.55 125.84 3fen n ASP 48 Ca 0.00 -1.70 -0.35 0.00 0.71 0.00 0.00 54.79 53.45 3fen n ASP 48 Cb 0.00 -0.09 -0.09 0.00 -0.02 0.00 0.00 41.12 40.92 3fen n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fen s THR 49 N -1.82 4.96 0.01 -3.53 2.01 -0.54 -0.74 115.64 115.99 3fen s THR 49 Ca 0.34 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.43 3fen s THR 49 Cb 0.19 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 3fen s THR 49 CO 0.29 0.45 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.12 3fen s PHE 50 N 0.42 1.60 -0.08 4.92 0.40 0.39 -0.37 117.98 125.26 3fen s PHE 50 Ca 0.05 -0.33 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 3fen s PHE 50 Cb -0.12 -0.99 0.00 0.00 0.51 0.00 0.00 43.02 42.42 3fen s PHE 50 CO -0.00 0.02 -0.22 -0.47 0.70 0.00 0.00 175.22 175.25 3fen s TYR 51 N -0.60 2.29 -0.08 0.36 5.04 -0.18 -1.25 117.35 122.92 3fen s TYR 51 Ca 0.06 -0.87 -0.00 0.00 -2.44 0.00 0.00 57.07 53.82 3fen s TYR 51 Cb -0.08 -1.54 0.02 0.00 0.35 0.00 0.00 41.96 40.72 3fen s TYR 51 CO 0.00 -0.34 -0.04 0.42 -1.34 0.00 0.00 175.55 174.25 3fen s ILE 52 N 0.29 0.67 -0.16 3.14 1.01 -0.19 -0.69 121.20 125.27 3fen s ILE 52 Ca -0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 3fen s ILE 52 Cb -0.16 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 3fen s ILE 52 CO 0.07 0.30 -0.09 -0.75 0.00 0.00 0.00 174.94 174.46 3fen s LYS 53 N 1.64 3.43 -0.14 2.79 2.20 0.06 -0.66 119.74 129.07 3fen s LYS 53 Ca 0.01 -0.64 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 3fen s LYS 53 Cb -0.13 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.42 3fen s LYS 53 CO -0.05 0.11 -0.22 0.99 -0.36 0.00 0.00 175.35 175.82 3fen s THR 54 N 0.66 2.11 -0.06 3.43 2.01 0.62 -0.92 115.64 123.49 3fen s THR 54 Ca -0.05 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.02 3fen s THR 54 Cb -0.15 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.52 3fen s THR 54 CO 0.02 0.55 -0.17 -0.44 -0.69 0.00 0.00 174.62 173.89 3fen s SER 55 N 0.79 2.22 0.32 3.53 0.01 0.14 -0.44 113.70 120.27 3fen s SER 55 Ca -0.07 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 56.86 3fen s SER 55 Cb -0.16 -0.80 -0.03 0.00 0.21 0.00 0.00 66.02 65.25 3fen s SER 55 CO -0.01 0.12 0.30 0.42 0.41 0.00 0.00 173.24 174.48 3fen s THR 56 N 0.26 0.00 0.48 1.44 -4.23 -0.23 -0.94 115.64 112.41 3fen s THR 56 Ca -0.09 -1.93 0.37 0.00 -1.18 0.00 0.00 61.69 58.85 3fen s THR 56 Cb -0.14 -2.52 0.39 0.00 1.34 0.00 0.00 72.50 71.57 3fen s THR 56 CO 0.04 0.00 2.21 0.00 -0.54 0.00 0.00 174.62 176.32 3fen h THR 57 N 2.18 0.20 0.09 3.99 1.03 -1.84 -2.87 112.91 115.69 3fen h THR 57 Ca -0.27 -0.24 -0.32 0.00 -0.01 0.00 0.00 66.41 65.57 3fen h THR 57 Cb 1.23 1.19 -0.02 0.00 -1.07 0.00 0.00 68.15 69.49 3fen h THR 57 CO 0.38 0.03 -1.73 0.58 -0.01 0.00 0.00 175.52 174.77 3fen h VAL 58 N 0.00 0.89 -2.32 0.00 2.07 -1.95 -3.50 116.25 111.44 3fen h VAL 58 Ca -0.00 -2.62 0.14 0.00 0.82 0.00 0.00 66.70 65.04 3fen h VAL 58 Cb 0.19 2.58 -0.12 0.00 -1.52 0.00 0.00 31.29 32.42 3fen h VAL 58 CO 0.00 0.75 0.48 0.00 0.02 0.00 0.00 177.57 178.83 3fen s ARG 59 N -2.59 1.00 -0.10 1.57 1.70 -1.08 -5.13 118.95 114.31 3fen s ARG 59 Ca -0.12 -0.46 0.03 0.00 -0.47 0.00 0.00 55.73 54.71 3fen s ARG 59 Cb 0.07 0.40 0.01 0.00 -0.57 0.00 0.00 34.95 34.85 3fen s ARG 59 CO 0.82 -0.45 -0.21 0.99 -1.08 0.00 0.00 175.30 175.37 3fen s THR 60 N -3.21 1.86 -0.03 4.99 2.01 -1.26 -1.07 115.64 118.93 3fen s THR 60 Ca 0.08 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.25 3fen s THR 60 Cb -0.01 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 3fen s THR 60 CO -0.04 0.51 -0.22 0.42 -0.69 0.00 0.00 174.62 174.60 3fen s THR 61 N 0.54 2.39 -0.07 -0.82 -4.23 0.41 -4.97 115.64 108.89 3fen s THR 61 Ca -0.15 -0.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 3fen s THR 61 Cb -0.17 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.81 3fen s THR 61 CO 0.05 0.58 -0.13 -1.61 -0.54 0.00 0.00 174.62 172.97 3fen s GLU 62 N -0.62 1.84 0.07 3.99 2.02 -1.26 -0.27 118.70 124.47 3fen s GLU 62 Ca 0.10 -0.46 0.09 0.00 0.02 0.00 0.00 54.97 54.72 3fen s GLU 62 Cb -0.10 -1.50 -0.03 0.00 0.10 0.00 0.00 34.13 32.59 3fen s GLU 62 CO -0.00 0.04 -0.24 0.96 0.02 0.00 0.00 175.26 176.03 3fen s ILE 63 N 0.65 1.95 -0.10 -1.63 -4.36 0.17 -4.98 121.20 112.90 3fen s ILE 63 Ca -0.15 -1.44 0.01 0.00 -0.26 0.00 0.00 60.65 58.81 3fen s ILE 63 Cb -0.16 -1.71 0.02 0.00 1.25 0.00 0.00 42.46 41.86 3fen s ILE 63 CO 0.04 0.19 -0.12 0.20 0.24 0.00 0.00 174.94 175.49 3fen s ASN 64 N -1.51 2.21 0.10 4.36 0.01 -1.26 -1.02 114.94 117.83 3fen s ASN 64 Ca 0.10 -0.36 -0.10 0.00 -0.71 0.00 0.00 52.86 51.79 3fen s ASN 64 Cb -0.10 -0.95 0.00 0.00 0.41 0.00 0.00 41.25 40.62 3fen s ASN 64 CO 0.03 -0.04 0.23 0.72 -1.51 0.00 0.00 177.10 176.54 3fen s PHE 65 N 1.23 0.11 -0.09 2.20 -0.12 -0.38 -4.92 117.98 116.01 3fen s PHE 65 Ca -0.03 -0.52 0.02 0.00 -0.05 0.00 0.00 56.93 56.35 3fen s PHE 65 Cb -0.14 -0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.23 3fen s PHE 65 CO -0.04 -0.59 -0.15 0.21 -0.05 0.00 0.00 175.22 174.60 3fen s LYS 66 N -3.86 2.90 0.16 1.99 2.20 -1.26 -0.46 119.74 121.41 3fen s LYS 66 Ca 0.06 -0.72 -0.34 0.00 -0.36 0.00 0.00 55.97 54.60 3fen s LYS 66 Cb 0.04 -2.46 -0.15 0.00 -1.51 0.00 0.00 37.83 33.76 3fen s LYS 66 CO -0.10 0.40 1.46 0.28 -0.36 0.00 0.00 175.35 177.03 3fen n VAL 67 N 2.95 0.24 -0.36 4.02 0.31 0.08 -1.17 118.33 124.39 3fen n VAL 67 Ca -0.18 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3fen n VAL 67 Cb 0.52 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 3fen n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fen n GLY 68 N 2.88 0.96 3.24 2.92 0.00 0.64 -5.00 105.19 110.82 3fen n GLY 68 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3fen n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fen s GLU 69 N -0.50 3.11 0.45 1.61 2.02 -0.32 -4.98 118.70 120.08 3fen s GLU 69 Ca 0.00 -0.84 -0.25 0.00 0.02 0.00 0.00 54.97 53.90 3fen s GLU 69 Cb 0.00 -2.37 -0.08 0.00 0.10 0.00 0.00 34.13 31.78 3fen s GLU 69 CO 0.00 0.17 1.39 -2.00 0.02 0.00 0.00 175.26 174.84 3fen s GLU 70 N 0.38 3.71 0.20 1.61 2.12 -1.26 -4.52 118.70 120.95 3fen s GLU 70 Ca -0.17 2.34 -0.05 0.00 0.36 0.00 0.00 54.97 57.45 3fen s GLU 70 Cb -0.17 -2.65 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 3fen s GLU 70 CO 0.08 -0.77 0.24 -0.59 -0.54 0.00 0.00 175.26 173.68 3fen s PHE 71 N -1.23 0.83 -0.10 5.30 -0.71 -0.44 -4.96 117.98 116.67 3fen s PHE 71 Ca 0.61 -1.12 -0.01 0.00 -1.04 0.00 0.00 56.93 55.37 3fen s PHE 71 Cb -0.42 -0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 41.07 3fen s PHE 71 CO 0.54 -0.74 -0.07 -2.00 -1.34 0.00 0.00 175.22 171.61 3fen s GLU 72 N -4.09 3.12 0.00 1.99 2.12 -1.26 -0.13 118.70 120.44 3fen s GLU 72 Ca 0.31 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.08 3fen s GLU 72 Cb 0.04 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 31.74 3fen s GLU 72 CO 0.09 0.48 0.00 -0.85 -0.54 0.00 0.00 175.26 174.44 3fen n GLU 73 N 2.79 0.00 -4.17 4.30 0.28 -0.57 -4.96 120.64 118.31 3fen n GLU 73 Ca -0.18 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.65 3fen n GLU 73 Cb 0.53 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.28 3fen n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3fen s GLN 74 N 1.61 0.82 1.12 3.44 -0.21 -1.26 -1.51 119.66 123.67 3fen s GLN 74 Ca 0.00 -0.99 -0.14 0.00 0.02 0.00 0.00 55.36 54.24 3fen s GLN 74 Cb 0.00 -0.77 0.25 0.00 1.00 0.00 0.00 33.01 33.49 3fen s GLN 74 CO 0.00 0.16 1.06 0.95 -2.12 0.00 0.00 175.29 175.34 3fen s THR 75 N -1.50 1.89 0.41 -0.19 -4.23 0.67 -4.84 115.64 107.86 3fen s THR 75 Ca -0.01 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 60.83 3fen s THR 75 Cb -0.09 -2.33 0.34 0.00 1.34 0.00 0.00 72.50 71.76 3fen s THR 75 CO 0.02 0.00 2.12 1.62 -0.54 0.00 0.00 174.62 177.84 3fen h VAL 76 N -2.35 0.35 -0.65 2.29 3.04 -1.98 0.67 116.25 117.61 3fen h VAL 76 Ca -0.55 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 3fen h VAL 76 Cb 1.33 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 3fen h VAL 76 CO 0.51 0.07 0.00 -0.90 -1.01 0.00 0.00 177.57 176.24 3fen n ASP 77 N -3.43 4.82 0.00 3.17 5.75 -1.26 -4.96 116.55 120.64 3fen n ASP 77 Ca -0.02 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 3fen n ASP 77 Cb 0.21 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 3fen n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fen n GLY 78 N 1.13 0.76 3.77 6.12 0.00 0.23 -5.06 105.19 112.13 3fen n GLY 78 Ca 0.26 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 3fen n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fen s ARG 79 N -0.53 4.27 0.33 1.61 0.52 -1.26 -4.74 118.95 119.16 3fen s ARG 79 Ca 0.00 0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 55.59 3fen s ARG 79 Cb 0.00 -3.33 -0.10 0.00 0.52 0.00 0.00 34.95 32.03 3fen s ARG 79 CO 0.00 0.39 1.35 -2.14 0.02 0.00 0.00 175.30 174.92 3fen s PRO 80 N -0.25 4.31 0.08 3.54 0.02 -1.26 -0.24 135.00 141.21 3fen s PRO 80 Ca 0.29 2.28 -0.07 0.00 0.02 0.00 0.00 61.00 63.52 3fen s PRO 80 Cb -0.18 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 3fen s PRO 80 CO 0.16 -0.26 0.15 0.00 -0.33 0.00 0.00 177.00 176.72 3fen s LYS 82 N -3.87 3.99 0.12 0.00 -0.14 0.12 -1.51 119.74 118.46 3fen s LYS 82 Ca 0.05 0.27 0.07 0.00 -1.36 0.00 0.00 55.97 55.01 3fen s LYS 82 Cb 0.05 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 3fen s LYS 82 CO -0.11 0.52 -0.18 -1.12 -0.76 0.00 0.00 175.35 173.71 3fen s SER 83 N -0.48 2.35 -0.10 2.83 0.01 0.81 -0.45 113.70 118.68 3fen s SER 83 Ca 0.21 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 56.66 3fen s SER 83 Cb -0.15 -0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.01 3fen s SER 83 CO 0.09 -0.04 0.21 -0.22 0.41 0.00 0.00 173.24 173.69 3fen s LEU 84 N -2.28 0.02 -0.12 2.44 2.96 -0.71 -1.33 118.68 119.65 3fen s LEU 84 Ca 0.09 0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 54.39 3fen s LEU 84 Cb -0.07 0.50 -0.04 0.00 0.50 0.00 0.00 46.19 47.08 3fen s LEU 84 CO 0.04 -0.22 0.09 -0.69 -1.32 0.00 0.00 176.35 174.26 3fen s VAL 85 N 2.05 5.07 0.09 1.68 1.01 -1.26 -1.87 120.40 127.16 3fen s VAL 85 Ca -0.01 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3fen s VAL 85 Cb -0.12 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3fen s VAL 85 CO -0.07 0.58 -0.09 -0.54 0.00 0.00 0.00 175.10 174.98 3fen s LYS 86 N -0.70 0.79 0.00 2.72 1.02 -0.34 -0.26 119.74 122.98 3fen s LYS 86 Ca 0.12 -1.12 -0.29 0.00 0.02 0.00 0.00 55.97 54.70 3fen s LYS 86 Cb -0.12 -0.44 -0.03 0.00 -0.52 0.00 0.00 37.83 36.72 3fen s LYS 86 CO 0.03 0.06 0.95 -1.58 -0.92 0.00 0.00 175.35 173.89 3fen s TRP 87 N -2.45 3.66 -0.06 3.18 0.52 -1.26 -0.59 118.94 121.95 3fen s TRP 87 Ca 0.04 1.67 0.13 0.00 0.02 0.00 0.00 56.10 57.96 3fen s TRP 87 Cb -0.03 -3.08 -0.20 0.00 -1.15 0.00 0.00 33.47 29.00 3fen s TRP 87 CO -0.01 0.02 0.73 1.49 0.02 0.00 0.00 176.95 179.20 3fen h GLU 88 N 6.70 0.00 0.00 4.98 4.81 -1.22 -3.47 114.58 126.38 3fen h GLU 88 Ca -0.41 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.74 3fen h GLU 88 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3fen h GLU 88 CO 0.75 0.46 0.17 -1.13 -0.73 0.00 0.00 179.01 178.53 3fen n SER 89 N -3.02 -1.95 0.31 1.04 3.41 -1.07 -4.97 113.62 107.36 3fen n SER 89 Ca -0.14 -2.54 0.20 0.00 -0.26 0.00 0.00 58.87 56.12 3fen n SER 89 Cb 0.99 3.30 0.96 0.00 -0.26 0.00 0.00 64.21 69.21 3fen n SER 89 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3fen h GLU 90 N 0.00 0.00 -0.08 4.33 5.08 -2.01 -3.04 114.58 118.86 3fen h GLU 90 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3fen h GLU 90 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3fen h GLU 90 CO 0.38 0.01 0.00 0.27 -1.00 0.00 0.00 179.01 178.68 3fen n ASN 91 N -3.15 2.09 -3.79 1.42 6.94 -1.26 -4.48 115.26 113.02 3fen n ASN 91 Ca -0.01 -1.84 -0.13 0.00 -0.02 0.00 0.00 54.58 52.57 3fen n ASN 91 Cb 0.18 -0.05 -0.14 0.00 -2.36 0.00 0.00 39.78 37.40 3fen n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3fen s LYS 92 N -0.87 0.06 0.17 -3.83 2.20 -1.15 -0.89 119.74 115.44 3fen s LYS 92 Ca 0.06 0.22 0.10 0.00 -0.36 0.00 0.00 55.97 56.00 3fen s LYS 92 Cb 0.03 -0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 3fen s LYS 92 CO 0.04 -0.10 -0.20 0.00 -0.36 0.00 0.00 175.35 174.73 3fen s MET 93 N 0.68 1.68 -0.02 4.03 0.23 0.15 -0.65 119.30 125.39 3fen s MET 93 Ca -0.05 -1.38 0.03 0.00 -1.03 0.00 0.00 55.69 53.25 3fen s MET 93 Cb -0.07 -1.97 0.00 0.00 -1.53 0.00 0.00 34.83 31.26 3fen s MET 93 CO -0.03 0.43 -0.09 0.54 -2.03 0.00 0.00 175.02 173.84 3fen s VAL 94 N -1.51 0.77 -0.14 5.16 0.11 0.24 -1.48 120.40 123.56 3fen s VAL 94 Ca 0.20 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.91 3fen s VAL 94 Cb -0.09 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 3fen s VAL 94 CO 0.11 0.24 -0.20 0.00 -3.33 0.00 0.00 175.10 171.91 3fen s GLU 96 N 0.94 3.38 0.02 0.00 2.02 -0.78 -1.76 118.70 122.51 3fen s GLU 96 Ca -0.05 -0.25 0.07 0.00 0.02 0.00 0.00 54.97 54.76 3fen s GLU 96 Cb -0.15 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 30.96 3fen s GLU 96 CO -0.04 0.72 -0.21 -0.65 0.02 0.00 0.00 175.26 175.10 3fen s GLN 97 N -1.45 1.56 -0.06 1.61 -0.21 -1.17 -1.73 119.66 118.20 3fen s GLN 97 Ca 0.21 -0.86 0.02 0.00 0.02 0.00 0.00 55.36 54.74 3fen s GLN 97 Cb -0.12 -1.60 0.02 0.00 1.00 0.00 0.00 33.01 32.31 3fen s GLN 97 CO 0.11 0.42 -0.09 0.21 -2.12 0.00 0.00 175.29 173.82 3fen s LYS 98 N -0.86 1.40 0.43 2.91 2.20 0.40 -4.61 119.74 121.61 3fen s LYS 98 Ca 0.08 -0.30 -0.25 0.00 -0.36 0.00 0.00 55.97 55.14 3fen s LYS 98 Cb -0.09 -1.24 -0.08 0.00 -1.51 0.00 0.00 37.83 34.91 3fen s LYS 98 CO 0.01 -0.04 1.36 -0.51 -0.36 0.00 0.00 175.35 175.81 3fen s LEU 99 N 0.86 4.15 0.09 5.43 1.43 -1.26 0.11 118.68 129.49 3fen s LEU 99 Ca -0.11 2.78 -0.14 0.00 -1.03 0.00 0.00 54.13 55.62 3fen s LEU 99 Cb -0.15 -3.94 -0.13 0.00 0.03 0.00 0.00 46.19 42.01 3fen s LEU 99 CO 0.01 -1.03 1.34 -0.07 0.23 0.00 0.00 176.35 176.84 3fen h LEU 100 N 2.45 0.84 -7.84 1.79 3.38 -1.65 -3.44 115.31 110.84 3fen h LEU 100 Ca -0.50 -0.57 -0.41 0.00 0.09 0.00 0.00 57.88 56.50 3fen h LEU 100 Cb 1.26 -0.24 -0.32 0.00 0.09 0.00 0.00 40.66 41.44 3fen h LEU 100 CO 0.62 1.25 -0.78 -1.59 0.09 0.00 0.00 178.44 178.03 3fen s LYS 101 N -3.99 0.84 0.16 1.13 -2.85 -1.26 -5.09 119.74 108.68 3fen s LYS 101 Ca -0.11 -0.18 0.00 0.00 -1.00 0.00 0.00 55.97 54.67 3fen s LYS 101 Cb 0.08 -0.81 0.00 0.00 -2.06 0.00 0.00 37.83 35.04 3fen s LYS 101 CO 0.87 0.01 0.00 0.41 0.10 0.00 0.00 175.35 176.73 3fen n GLY 102 N 3.67 -2.32 3.42 0.59 0.00 -1.26 -5.00 105.19 104.29 3fen n GLY 102 Ca -0.22 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.64 3fen n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fen s GLU 103 N -0.25 1.54 0.00 1.61 2.02 -1.26 -4.78 118.70 117.57 3fen s GLU 103 Ca 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 54.97 53.22 3fen s GLU 103 Cb 0.00 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 33.07 3fen s GLU 103 CO 0.00 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.74 3fen n GLY 104 N -0.57 -1.18 3.70 -1.39 0.00 -1.26 -5.10 105.19 99.39 3fen n GLY 104 Ca -0.06 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 3fen n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fen s PRO 105 N -1.85 1.51 -0.18 1.61 0.02 -1.26 -4.93 135.00 129.93 3fen s PRO 105 Ca 0.00 1.61 -0.29 0.00 0.02 0.00 0.00 61.00 62.34 3fen s PRO 105 Cb 0.00 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.73 3fen s PRO 105 CO 0.00 -2.28 1.23 0.21 -0.33 0.00 0.00 177.00 175.84 3fen s LYS 106 N -4.39 4.23 0.12 5.54 2.20 -1.26 -4.86 119.74 121.32 3fen s LYS 106 Ca 0.69 1.61 0.10 0.00 -0.36 0.00 0.00 55.97 58.01 3fen s LYS 106 Cb -0.25 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 3fen s LYS 106 CO 0.53 -0.70 -0.21 0.95 -0.36 0.00 0.00 175.35 175.56 3fen s THR 107 N 3.48 2.63 0.26 3.43 -4.23 -1.26 -0.61 115.64 119.34 3fen s THR 107 Ca 0.53 -1.58 -0.20 0.00 -1.18 0.00 0.00 61.69 59.26 3fen s THR 107 Cb -0.21 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.47 3fen s THR 107 CO 0.14 0.11 0.68 -0.94 -0.54 0.00 0.00 174.62 174.06 3fen s SER 108 N -2.08 -0.28 0.09 3.99 1.04 -0.74 -3.03 113.70 112.70 3fen s SER 108 Ca 0.16 -0.57 -0.07 0.00 0.48 0.00 0.00 55.95 55.95 3fen s SER 108 Cb -0.10 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 3fen s SER 108 CO 0.08 -1.28 0.15 -1.66 0.98 0.00 0.00 173.24 171.51 3fen s TRP 109 N -3.91 0.27 0.09 5.02 1.48 -0.72 -1.25 118.94 119.92 3fen s TRP 109 Ca 0.11 -0.72 0.03 0.00 -1.06 0.00 0.00 56.10 54.46 3fen s TRP 109 Cb -0.05 -0.14 -0.04 0.00 -1.16 0.00 0.00 33.47 32.09 3fen s TRP 109 CO 0.05 -0.53 -0.08 0.95 -4.06 0.00 0.00 176.95 173.28 3fen s THR 110 N -3.89 0.80 -0.03 0.66 -4.23 0.06 0.04 115.64 109.05 3fen s THR 110 Ca 0.07 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 3fen s THR 110 Cb 0.05 -1.43 0.03 0.00 1.34 0.00 0.00 72.50 72.49 3fen s THR 110 CO -0.09 -0.68 0.05 -0.76 -0.54 0.00 0.00 174.62 172.60 3fen s LEU 111 N -2.64 0.74 -0.01 4.79 1.43 -0.55 -1.40 118.68 121.04 3fen s LEU 111 Ca 0.07 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 3fen s LEU 111 Cb 0.00 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.18 3fen s LEU 111 CO -0.02 -0.17 -0.16 -0.70 0.23 0.00 0.00 176.35 175.53 3fen s GLU 112 N 1.42 1.32 -0.27 1.70 2.12 -0.16 -0.67 118.70 124.16 3fen s GLU 112 Ca -0.05 -0.58 -0.03 0.00 0.36 0.00 0.00 54.97 54.67 3fen s GLU 112 Cb -0.13 -1.27 0.02 0.00 0.26 0.00 0.00 34.13 33.01 3fen s GLU 112 CO -0.03 0.35 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.85 3fen s LEU 113 N -0.37 3.45 0.79 2.70 2.96 -0.07 -0.67 118.68 127.47 3fen s LEU 113 Ca 0.06 -0.83 -0.12 0.00 -0.22 0.00 0.00 54.13 53.02 3fen s LEU 113 Cb -0.06 -1.74 0.07 0.00 0.50 0.00 0.00 46.19 44.95 3fen s LEU 113 CO -0.01 -0.16 1.14 0.42 -1.32 0.00 0.00 176.35 176.43 3fen s THR 114 N 1.38 2.63 0.34 3.68 -4.23 0.33 -4.81 115.64 114.96 3fen s THR 114 Ca 0.01 0.20 0.35 0.00 -1.18 0.00 0.00 61.69 61.07 3fen s THR 114 Cb -0.17 -3.13 0.38 0.00 1.34 0.00 0.00 72.50 70.92 3fen s THR 114 CO -0.02 -0.27 2.11 -1.13 -0.54 0.00 0.00 174.62 174.77 3fen h ASN 115 N -0.99 0.00 0.05 3.99 -1.24 -1.99 -1.40 115.58 113.99 3fen h ASN 115 Ca -0.46 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.55 3fen h ASN 115 Cb 1.30 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.35 3fen h ASN 115 CO 0.64 0.04 -0.06 -0.90 -1.29 0.00 0.00 177.43 175.86 3fen n ASP 116 N -3.22 1.29 0.00 1.15 5.75 -1.26 -4.93 116.55 115.33 3fen n ASP 116 Ca -0.01 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 3fen n ASP 116 Cb 0.23 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 3fen n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fen n GLY 117 N 1.20 0.69 3.87 6.12 0.00 -0.53 -5.06 105.19 111.49 3fen n GLY 117 Ca 0.18 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3fen n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fen s GLU 118 N -0.92 3.78 -0.20 1.61 2.02 -1.26 -4.31 118.70 119.42 3fen s GLU 118 Ca 0.00 0.22 -0.06 0.00 0.02 0.00 0.00 54.97 55.15 3fen s GLU 118 Cb 0.00 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 3fen s GLU 118 CO 0.00 0.41 0.02 -1.17 0.02 0.00 0.00 175.26 174.54 3fen s LEU 119 N -2.52 3.37 -0.18 1.80 2.96 -0.36 -0.51 118.68 123.25 3fen s LEU 119 Ca 0.42 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.17 3fen s LEU 119 Cb -0.12 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.71 3fen s LEU 119 CO 0.21 0.07 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.54 3fen s ILE 120 N 0.98 2.69 -0.17 6.68 1.01 0.16 -0.05 121.20 132.50 3fen s ILE 120 Ca 0.02 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 3fen s ILE 120 Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3fen s ILE 120 CO 0.02 0.50 0.06 -0.22 0.00 0.00 0.00 174.94 175.29 3fen s LEU 121 N 1.15 3.81 0.14 2.97 2.96 0.39 -0.99 118.68 129.10 3fen s LEU 121 Ca 0.01 0.10 0.11 0.00 -0.22 0.00 0.00 54.13 54.13 3fen s LEU 121 Cb -0.14 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3fen s LEU 121 CO -0.05 0.21 -0.26 0.42 -1.32 0.00 0.00 176.35 175.35 3fen s THR 122 N 0.16 2.33 -0.02 3.68 -4.23 -0.49 -0.71 115.64 116.35 3fen s THR 122 Ca 0.04 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 3fen s THR 122 Cb -0.12 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.68 3fen s THR 122 CO 0.01 0.06 -0.02 -0.04 -0.54 0.00 0.00 174.62 174.08 3fen s MET 123 N -2.17 0.40 0.01 3.99 -1.94 -0.24 -0.76 119.30 118.58 3fen s MET 123 Ca 0.16 -0.01 0.05 0.00 -1.71 0.00 0.00 55.69 54.18 3fen s MET 123 Cb -0.10 -0.50 -0.02 0.00 2.01 0.00 0.00 34.83 36.23 3fen s MET 123 CO 0.07 -0.07 -0.16 0.99 -0.01 0.00 0.00 175.02 175.84 3fen s THR 124 N 0.71 1.31 -0.16 2.05 2.01 -0.38 -0.51 115.64 120.66 3fen s THR 124 Ca -0.08 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 3fen s THR 124 Cb -0.11 -1.11 0.04 0.00 0.01 0.00 0.00 72.50 71.33 3fen s THR 124 CO -0.01 0.27 -0.04 0.00 -0.69 0.00 0.00 174.62 174.15 3fen s ALA 125 N -0.53 1.35 0.00 7.40 0.00 -0.61 -1.78 121.76 127.58 3fen s ALA 125 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3fen s ALA 125 Cb -0.07 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.95 3fen s ALA 125 CO 0.00 -0.81 0.00 -0.25 0.00 0.00 0.00 175.76 174.70 3fen n ASP 126 N 4.92 0.00 -0.42 0.00 8.00 0.22 -1.28 116.55 128.00 3fen n ASP 126 Ca -0.11 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.50 3fen n ASP 126 Cb 0.48 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.67 3fen n ASP 126 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fen n ASP 127 N 5.82 1.75 -4.67 -2.24 8.00 -1.26 -4.91 116.55 119.03 3fen n ASP 127 Ca 0.00 -1.34 -0.37 0.00 0.71 0.00 0.00 54.79 53.79 3fen n ASP 127 Cb 0.00 0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 41.42 3fen n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fen s VAL 128 N -2.50 5.31 -0.19 2.53 1.01 -0.40 -5.07 120.40 121.09 3fen s VAL 128 Ca 0.20 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 3fen s VAL 128 Cb 0.18 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 33.00 3fen s VAL 128 CO 0.57 0.32 -0.14 -0.69 0.00 0.00 0.00 175.10 175.15 3fen s VAL 129 N 1.11 2.55 -0.10 2.92 1.01 -1.26 -1.57 120.40 125.06 3fen s VAL 129 Ca 0.11 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 3fen s VAL 129 Cb -0.14 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3fen s VAL 129 CO 0.05 0.50 0.30 0.00 0.00 0.00 0.00 175.10 175.96 3fen s THR 131 N -0.38 1.48 -0.03 0.00 2.01 -0.70 -1.07 115.64 116.94 3fen s THR 131 Ca 0.19 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.55 3fen s THR 131 Cb -0.14 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 3fen s THR 131 CO 0.07 0.43 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.71 3fen s LYS 132 N 0.43 1.70 -0.04 4.92 1.02 0.11 -0.68 119.74 127.21 3fen s LYS 132 Ca -0.14 -0.66 0.07 0.00 0.02 0.00 0.00 55.97 55.26 3fen s LYS 132 Cb -0.16 -1.55 -0.02 0.00 -0.52 0.00 0.00 37.83 35.59 3fen s LYS 132 CO 0.05 0.33 -0.25 0.08 -0.92 0.00 0.00 175.35 174.65 3fen s VAL 133 N -0.21 1.98 0.18 3.17 1.01 -0.21 -0.46 120.40 125.85 3fen s VAL 133 Ca 0.02 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.01 3fen s VAL 133 Cb -0.09 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 3fen s VAL 133 CO 0.01 0.56 -0.13 -0.31 0.00 0.00 0.00 175.10 175.23 3fen s TYR 134 N -0.39 1.51 0.15 5.22 1.51 0.93 -0.51 117.35 125.77 3fen s TYR 134 Ca 0.04 -0.65 0.08 0.00 -1.01 0.00 0.00 57.07 55.53 3fen s TYR 134 Cb -0.11 -0.73 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 3fen s TYR 134 CO 0.01 0.23 -0.18 0.14 -1.11 0.00 0.00 175.55 174.64 3fen s VAL 135 N -3.10 1.76 -0.06 0.71 -7.23 -0.16 -1.22 120.40 111.10 3fen s VAL 135 Ca 0.20 -1.86 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 3fen s VAL 135 Cb 0.01 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 3fen s VAL 135 CO 0.04 -0.31 0.67 -0.60 -0.31 0.00 0.00 175.10 174.60 3fen s ARG 136 N -2.71 4.42 0.00 4.82 3.52 -1.26 -1.07 118.95 126.66 3fen s ARG 136 Ca 0.14 0.84 0.16 0.00 -0.13 0.00 0.00 55.73 56.74 3fen s ARG 136 Cb -0.06 -3.43 0.98 0.00 -1.56 0.00 0.00 34.95 30.88 3fen s ARG 136 CO 0.06 0.12 1.38 0.39 -0.81 0.00 0.00 175.30 176.45