#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9d s ASN 2 N 0.00 3.92 0.00 3.54 3.84 -1.26 -5.00 114.94 119.99 3f9d s ASN 2 Ca 0.00 -1.19 0.27 0.00 0.21 0.00 0.00 52.86 52.15 3f9d s ASN 2 Cb 0.00 -1.25 1.45 0.00 -0.55 0.00 0.00 41.25 40.90 3f9d s ASN 2 CO 0.00 -0.22 1.95 0.49 -2.79 0.00 0.00 177.10 176.53 3f9d n PHE 3 N 4.63 0.00 -1.73 0.43 3.01 -1.26 -4.88 117.46 117.66 3f9d n PHE 3 Ca -0.13 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.93 3f9d n PHE 3 Cb 0.44 -0.21 0.02 0.00 -0.01 0.00 0.00 39.48 39.72 3f9d n PHE 3 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3f9d n SER 4 N -1.21 2.81 0.00 4.37 7.64 -1.26 -4.71 113.62 121.26 3f9d n SER 4 Ca 0.15 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.12 3f9d n SER 4 Cb 0.18 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.84 3f9d n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f9d n GLY 5 N 0.73 2.14 3.55 0.23 0.00 -0.37 -4.95 105.19 106.52 3f9d n GLY 5 Ca 0.07 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 3f9d n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3f9d s ASN 6 N 0.00 6.04 -0.09 1.61 0.01 -1.26 -1.30 114.94 119.94 3f9d s ASN 6 Ca 0.00 -0.28 0.02 0.00 -0.71 0.00 0.00 52.86 51.89 3f9d s ASN 6 Cb 0.00 -2.13 -0.02 0.00 0.41 0.00 0.00 41.25 39.51 3f9d s ASN 6 CO 0.00 -0.17 -0.17 0.26 -1.51 0.00 0.00 177.10 175.51 3f9d s TRP 7 N 1.73 2.69 0.08 2.20 0.52 0.11 -0.43 118.94 125.85 3f9d s TRP 7 Ca 0.06 -0.57 0.08 0.00 0.02 0.00 0.00 56.10 55.70 3f9d s TRP 7 Cb -0.17 -1.73 -0.04 0.00 -1.15 0.00 0.00 33.47 30.38 3f9d s TRP 7 CO 0.11 -0.13 -0.19 -1.59 0.02 0.00 0.00 176.95 175.17 3f9d s LYS 8 N -0.03 1.89 0.18 4.98 -2.85 0.05 -1.95 119.74 122.00 3f9d s LYS 8 Ca -0.05 -1.10 -0.27 0.00 -1.00 0.00 0.00 55.97 53.55 3f9d s LYS 8 Cb -0.14 -2.13 -0.08 0.00 -2.06 0.00 0.00 37.83 33.42 3f9d s LYS 8 CO 0.04 0.50 0.84 -1.50 0.10 0.00 0.00 175.35 175.33 3f9d s ILE 9 N -1.04 4.30 -0.01 3.79 2.07 -1.26 -1.38 121.20 127.67 3f9d s ILE 9 Ca 0.16 1.84 0.02 0.00 -1.41 0.00 0.00 60.65 61.26 3f9d s ILE 9 Cb -0.10 -4.21 -0.02 0.00 0.13 0.00 0.00 42.46 38.26 3f9d s ILE 9 CO 0.08 0.50 0.03 2.30 -1.91 0.00 0.00 174.94 175.93 3f9d n ILE 10 N 1.68 0.03 -3.85 2.00 -5.35 0.20 -4.91 119.36 109.17 3f9d n ILE 10 Ca -0.04 -0.05 -0.12 0.00 -0.27 0.00 0.00 62.75 62.28 3f9d n ILE 10 Cb 0.48 0.01 -0.11 0.00 -1.74 0.00 0.00 39.64 38.28 3f9d n ILE 10 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3f9d s ARG 11 N -2.09 0.35 -0.06 6.28 0.52 -1.07 -4.99 118.95 117.88 3f9d s ARG 11 Ca -0.01 -0.12 -0.05 0.00 -0.52 0.00 0.00 55.73 55.03 3f9d s ARG 11 Cb 0.01 0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.65 3f9d s ARG 11 CO 0.07 -0.07 0.16 0.45 0.02 0.00 0.00 175.30 175.92 3f9d s SER 12 N -0.72 -0.17 -0.06 0.23 0.15 -1.26 -0.79 113.70 111.09 3f9d s SER 12 Ca -0.08 0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 3f9d s SER 12 Cb -0.05 0.32 0.03 0.00 -1.71 0.00 0.00 66.02 64.61 3f9d s SER 12 CO 0.01 -0.06 0.01 -1.61 1.20 0.00 0.00 173.24 172.79 3f9d s GLU 13 N 0.17 0.45 -0.26 5.44 0.41 0.42 -4.93 118.70 120.41 3f9d s GLU 13 Ca -0.01 0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.69 3f9d s GLU 13 Cb -0.02 -0.80 0.00 0.00 -1.78 0.00 0.00 34.13 31.53 3f9d s GLU 13 CO -0.00 -0.27 0.00 -1.71 -0.49 0.00 0.00 175.26 172.79 3f9d n ASN 14 N 4.95 -2.72 -0.17 -0.19 5.15 -1.26 -1.84 115.26 119.17 3f9d n ASN 14 Ca -0.10 0.04 -0.11 0.00 -0.60 0.00 0.00 54.58 53.81 3f9d n ASN 14 Cb 0.50 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.71 3f9d n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3f9d h PHE 15 N 0.00 1.08 -0.24 1.20 3.57 -1.91 -2.48 116.94 118.15 3f9d h PHE 15 Ca -0.06 -0.24 -0.09 0.00 3.53 0.00 0.00 57.97 61.12 3f9d h PHE 15 Cb 0.47 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3f9d h PHE 15 CO 0.07 1.03 -0.24 1.49 -2.23 0.00 0.00 178.31 178.43 3f9d h GLU 16 N 0.81 0.46 -0.33 1.11 4.81 -1.96 -2.38 114.58 117.10 3f9d h GLU 16 Ca 0.12 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 3f9d h GLU 16 Cb 0.69 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3f9d h GLU 16 CO 0.05 0.68 -0.33 1.49 -0.73 0.00 0.00 179.01 180.16 3f9d h GLU 17 N 0.41 0.74 -0.26 1.92 4.57 -1.95 -2.19 114.58 117.82 3f9d h GLU 17 Ca 0.06 -0.35 0.05 0.00 -1.18 0.00 0.00 59.36 57.94 3f9d h GLU 17 Cb 0.65 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 3f9d h GLU 17 CO 0.05 0.97 -0.02 1.25 -1.18 0.00 0.00 179.01 180.08 3f9d h LEU 18 N 0.62 -0.15 -1.09 1.64 5.85 -1.04 -2.24 115.31 118.91 3f9d h LEU 18 Ca 0.07 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3f9d h LEU 18 Cb 0.86 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3f9d h LEU 18 CO 0.08 -0.04 0.40 -0.07 -0.34 0.00 0.00 178.44 178.47 3f9d h LEU 19 N 0.05 0.93 -0.14 2.25 3.38 -1.27 -1.82 115.31 118.69 3f9d h LEU 19 Ca 0.13 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3f9d h LEU 19 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3f9d h LEU 19 CO -0.23 0.75 0.07 0.50 0.09 0.00 0.00 178.44 179.62 3f9d h LYS 20 N 1.04 0.14 0.00 1.13 3.64 -0.83 -0.66 116.57 121.04 3f9d h LYS 20 Ca 0.26 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 3f9d h LYS 20 Cb 0.03 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3f9d h LYS 20 CO -0.04 0.09 -0.37 -0.39 -2.27 0.00 0.00 179.45 176.47 3f9d h VAL 21 N 0.15 1.07 0.00 2.00 -1.51 -1.16 0.25 116.25 117.05 3f9d h VAL 21 Ca 0.06 -1.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 3f9d h VAL 21 Cb 0.01 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3f9d h VAL 21 CO -0.04 0.37 0.00 0.18 -1.23 0.00 0.00 177.57 176.85 3f9d n LEU 22 N -3.81 0.00 0.00 4.19 4.32 -0.71 -4.83 117.00 116.16 3f9d n LEU 22 Ca -0.01 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 3f9d n LEU 22 Cb 0.44 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 3f9d n LEU 22 CO 0.37 -0.18 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 3f9d n GLY 23 N -0.24 0.41 3.72 -0.72 0.00 0.87 -4.97 105.19 104.27 3f9d n GLY 23 Ca 0.06 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 3f9d n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f9d s VAL 24 N -2.00 3.61 0.65 1.61 1.01 -0.38 -4.99 120.40 119.92 3f9d s VAL 24 Ca 0.00 1.19 -0.14 0.00 0.00 0.00 0.00 61.98 63.03 3f9d s VAL 24 Cb 0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3f9d s VAL 24 CO 0.00 0.11 1.08 0.54 0.00 0.00 0.00 175.10 176.83 3f9d s ASN 25 N 0.90 5.35 0.27 3.32 2.20 -1.26 -4.58 114.94 121.14 3f9d s ASN 25 Ca 0.60 1.85 -0.01 0.00 -0.94 0.00 0.00 52.86 54.36 3f9d s ASN 25 Cb -0.33 -2.53 0.48 0.00 -2.00 0.00 0.00 41.25 36.87 3f9d s ASN 25 CO 0.31 -1.46 1.83 1.62 -2.94 0.00 0.00 177.10 176.45 3f9d h VAL 26 N -0.05 0.92 0.60 3.54 3.04 -1.98 0.38 116.25 122.70 3f9d h VAL 26 Ca -0.46 -0.32 -0.02 0.00 -1.01 0.00 0.00 66.70 64.89 3f9d h VAL 26 Cb 1.23 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 3f9d h VAL 26 CO 0.55 0.17 -0.49 -0.03 -1.01 0.00 0.00 177.57 176.77 3f9d h MET 27 N 0.92 -1.02 -0.42 4.17 1.85 -2.01 -1.63 114.93 116.80 3f9d h MET 27 Ca 0.45 0.07 0.06 0.00 -0.61 0.00 0.00 59.70 59.68 3f9d h MET 27 Cb 0.42 0.23 -0.02 0.00 0.43 0.00 0.00 31.60 32.66 3f9d h MET 27 CO -0.26 -0.68 0.28 -0.07 -0.40 0.00 0.00 176.91 175.79 3f9d h LEU 28 N -1.05 0.25 -0.43 3.39 3.38 -1.71 -2.26 115.31 116.87 3f9d h LEU 28 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3f9d h LEU 28 Cb 0.88 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3f9d h LEU 28 CO 0.00 0.17 0.05 0.03 0.09 0.00 0.00 178.44 178.78 3f9d h ARG 29 N 0.29 0.73 -0.47 1.13 3.08 -0.63 -1.28 114.38 117.23 3f9d h ARG 29 Ca 0.19 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 3f9d h ARG 29 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3f9d h ARG 29 CO -0.04 0.77 -0.13 0.87 -1.07 0.00 0.00 179.97 180.37 3f9d h LYS 30 N 0.58 0.88 -0.57 0.04 1.79 -0.74 0.50 116.57 119.05 3f9d h LYS 30 Ca 0.13 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.27 3f9d h LYS 30 Cb 0.41 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 3f9d h LYS 30 CO 0.01 0.96 0.35 0.82 -1.08 0.00 0.00 179.45 180.51 3f9d h ILE 31 N 0.79 1.17 -0.08 1.86 2.04 -1.39 -2.02 117.51 119.87 3f9d h ILE 31 Ca 0.12 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3f9d h ILE 31 Cb 0.66 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3f9d h ILE 31 CO 0.05 0.17 -0.03 0.00 0.00 0.00 0.00 178.15 178.34 3f9d h ALA 32 N 1.18 0.11 -0.72 1.87 0.00 -0.75 -2.44 119.26 118.50 3f9d h ALA 32 Ca 0.21 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3f9d h ALA 32 Cb -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3f9d h ALA 32 CO -0.04 -0.15 0.21 -0.39 0.00 0.00 0.00 179.25 178.88 3f9d h VAL 33 N -0.19 1.26 -0.42 0.00 -1.51 -0.91 -0.43 116.25 114.05 3f9d h VAL 33 Ca 0.02 -0.92 -0.02 0.00 -1.23 0.00 0.00 66.70 64.56 3f9d h VAL 33 Cb 0.45 0.48 -0.02 0.00 -2.13 0.00 0.00 31.29 30.06 3f9d h VAL 33 CO 0.01 0.36 0.19 0.00 -1.23 0.00 0.00 177.57 176.90 3f9d h ALA 34 N 1.15 0.54 -0.49 5.19 0.00 -1.37 -2.97 119.26 121.31 3f9d h ALA 34 Ca 0.23 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3f9d h ALA 34 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3f9d h ALA 34 CO -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 179.25 179.34 3f9d h ALA 35 N 1.04 0.66 0.00 0.00 0.00 -1.20 -2.60 119.26 117.15 3f9d h ALA 35 Ca 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3f9d h ALA 35 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3f9d h ALA 35 CO -0.02 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3f9d n ALA 36 N -2.45 1.59 -0.11 0.00 0.00 -0.19 -2.65 120.51 116.71 3f9d n ALA 36 Ca 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 3f9d n ALA 36 Cb 0.33 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 3f9d n ALA 36 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3f9d h SER 37 N 0.00 0.54 -2.56 0.00 0.02 -1.44 -3.36 113.55 106.74 3f9d h SER 37 Ca 0.00 -0.27 -0.60 0.00 -0.84 0.00 0.00 61.79 60.08 3f9d h SER 37 Cb 0.00 -0.14 -0.41 0.00 0.14 0.00 0.00 62.40 62.00 3f9d h SER 37 CO 0.00 0.67 -0.76 1.17 -1.14 0.00 0.00 176.83 176.77 3f9d n LYS 38 N -4.59 1.38 -2.16 3.45 3.00 -1.08 -4.96 118.16 113.20 3f9d n LYS 38 Ca -0.02 -4.00 -0.27 0.00 -0.00 0.00 0.00 58.31 54.02 3f9d n LYS 38 Cb 0.23 -1.97 0.11 0.00 0.00 0.00 0.00 35.03 33.40 3f9d n LYS 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3f9d s PRO 39 N -1.23 1.66 -0.04 1.64 0.04 -1.26 -4.65 135.00 131.17 3f9d s PRO 39 Ca 0.31 -0.41 0.03 0.00 0.04 0.00 0.00 61.00 60.98 3f9d s PRO 39 Cb 0.05 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.51 3f9d s PRO 39 CO -0.14 -1.63 -0.11 0.00 0.04 0.00 0.00 177.00 175.16 3f9d s ALA 40 N -3.44 1.08 -0.15 8.56 0.00 -0.37 -4.59 121.76 122.85 3f9d s ALA 40 Ca 0.65 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.20 3f9d s ALA 40 Cb -0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3f9d s ALA 40 CO 0.47 0.15 -0.09 0.08 0.00 0.00 0.00 175.76 176.36 3f9d s VAL 41 N 0.36 3.28 -0.13 0.00 1.01 -0.82 -0.85 120.40 123.25 3f9d s VAL 41 Ca -0.07 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3f9d s VAL 41 Cb -0.12 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 3f9d s VAL 41 CO 0.02 0.50 -0.18 -1.61 0.00 0.00 0.00 175.10 173.82 3f9d s GLU 42 N 0.58 3.19 0.01 2.72 2.02 0.09 0.07 118.70 127.38 3f9d s GLU 42 Ca -0.06 -0.78 0.07 0.00 0.02 0.00 0.00 54.97 54.22 3f9d s GLU 42 Cb -0.15 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 3f9d s GLU 42 CO 0.03 0.13 -0.22 0.42 0.02 0.00 0.00 175.26 175.64 3f9d s ILE 43 N 0.52 1.74 -0.07 -1.63 1.01 -0.42 -0.55 121.20 121.79 3f9d s ILE 43 Ca -0.12 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.51 3f9d s ILE 43 Cb -0.16 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.85 3f9d s ILE 43 CO 0.04 0.40 -0.13 -0.75 0.00 0.00 0.00 174.94 174.50 3f9d s LYS 44 N -0.76 1.82 -0.12 2.79 2.47 -0.48 -1.24 119.74 124.23 3f9d s LYS 44 Ca 0.08 -0.44 0.02 0.00 -1.56 0.00 0.00 55.97 54.07 3f9d s LYS 44 Cb -0.09 -1.52 -0.01 0.00 -1.46 0.00 0.00 37.83 34.76 3f9d s LYS 44 CO 0.00 0.01 -0.18 -1.14 0.16 0.00 0.00 175.35 174.20 3f9d s GLN 45 N 0.74 3.22 -0.25 4.03 0.74 -1.26 -1.02 119.66 125.86 3f9d s GLN 45 Ca -0.13 -0.77 -0.01 0.00 0.05 0.00 0.00 55.36 54.50 3f9d s GLN 45 Cb -0.16 -2.48 0.07 0.00 1.10 0.00 0.00 33.01 31.54 3f9d s GLN 45 CO 0.03 0.21 0.03 -1.21 -0.55 0.00 0.00 175.29 173.79 3f9d s GLU 46 N 0.32 1.02 7.96 1.67 0.41 -0.03 -4.83 118.70 125.22 3f9d s GLU 46 Ca -0.14 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 53.55 3f9d s GLU 46 Cb -0.17 -2.28 0.00 0.00 -1.78 0.00 0.00 34.13 29.90 3f9d s GLU 46 CO 0.07 -0.75 0.00 0.41 -0.49 0.00 0.00 175.26 174.50 3f9d n GLY 47 N 4.83 3.93 0.76 -1.39 0.00 -1.26 -1.14 105.19 110.91 3f9d n GLY 47 Ca -0.07 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.06 3f9d n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f9d n ASP 48 N 7.15 2.26 -4.85 1.61 8.00 -1.26 -4.90 116.55 124.55 3f9d n ASP 48 Ca 0.00 -1.83 -0.38 0.00 0.71 0.00 0.00 54.79 53.30 3f9d n ASP 48 Cb 0.00 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 3f9d n ASP 48 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3f9d s THR 49 N -1.66 5.22 0.05 -3.53 -4.23 -0.29 -0.66 115.64 110.54 3f9d s THR 49 Ca 0.34 0.59 0.03 0.00 -1.18 0.00 0.00 61.69 61.47 3f9d s THR 49 Cb 0.19 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 3f9d s THR 49 CO 0.27 0.58 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.47 3f9d s PHE 50 N -0.96 0.88 -0.02 3.99 0.40 -0.19 -0.85 117.98 121.22 3f9d s PHE 50 Ca 0.20 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 3f9d s PHE 50 Cb -0.15 -0.51 0.00 0.00 0.51 0.00 0.00 43.02 42.87 3f9d s PHE 50 CO 0.09 -0.03 -0.08 -0.47 0.70 0.00 0.00 175.22 175.43 3f9d s TYR 51 N -1.30 0.85 -0.05 0.36 5.04 -0.19 -2.16 117.35 119.91 3f9d s TYR 51 Ca -0.06 -0.20 0.01 0.00 -2.44 0.00 0.00 57.07 54.38 3f9d s TYR 51 Cb -0.10 -0.61 0.02 0.00 0.35 0.00 0.00 41.96 41.62 3f9d s TYR 51 CO 0.01 -0.09 -0.06 0.42 -1.34 0.00 0.00 175.55 174.50 3f9d s ILE 52 N 0.17 0.64 -0.05 3.14 1.01 0.06 -1.38 121.20 124.79 3f9d s ILE 52 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.49 3f9d s ILE 52 Cb -0.08 -0.64 -0.00 0.00 0.01 0.00 0.00 42.46 41.75 3f9d s ILE 52 CO 0.00 0.25 -0.19 -0.75 0.00 0.00 0.00 174.94 174.25 3f9d s LYS 53 N 0.86 2.00 -0.04 2.79 2.20 0.29 -1.15 119.74 126.68 3f9d s LYS 53 Ca -0.12 -0.67 0.03 0.00 -0.36 0.00 0.00 55.97 54.85 3f9d s LYS 53 Cb -0.15 -1.70 0.01 0.00 -1.51 0.00 0.00 37.83 34.48 3f9d s LYS 53 CO 0.01 0.25 -0.11 -1.83 -0.36 0.00 0.00 175.35 173.31 3f9d s GLU 54 N 0.07 1.32 0.01 4.03 4.04 0.07 -0.73 118.70 127.50 3f9d s GLU 54 Ca -0.06 -0.37 0.05 0.00 0.04 0.00 0.00 54.97 54.63 3f9d s GLU 54 Cb -0.13 -1.16 -0.01 0.00 0.02 0.00 0.00 34.13 32.85 3f9d s GLU 54 CO 0.03 0.10 -0.15 -1.12 -1.84 0.00 0.00 175.26 172.28 3f9d s SER 55 N 0.37 1.75 0.44 0.83 0.01 -0.03 -0.23 113.70 116.83 3f9d s SER 55 Ca -0.07 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.89 3f9d s SER 55 Cb -0.12 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 3f9d s SER 55 CO 0.02 0.14 0.11 0.42 0.41 0.00 0.00 173.24 174.34 3f9d s THR 56 N -0.51 0.67 0.29 1.44 -4.23 0.55 -1.23 115.64 112.62 3f9d s THR 56 Ca 0.05 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 58.93 3f9d s THR 56 Cb -0.06 -2.28 0.40 0.00 1.34 0.00 0.00 72.50 71.90 3f9d s THR 56 CO 0.00 0.00 2.12 0.71 -0.54 0.00 0.00 174.62 176.91 3f9d h THR 57 N 1.67 0.00 0.00 3.99 1.35 -1.82 -3.07 112.91 115.02 3f9d h THR 57 Ca -0.36 -0.25 -0.23 0.00 -0.55 0.00 0.00 66.41 65.02 3f9d h THR 57 Cb 1.28 1.20 -0.04 0.00 -1.73 0.00 0.00 68.15 68.86 3f9d h THR 57 CO 0.59 0.00 -2.20 1.33 -0.25 0.00 0.00 175.52 174.99 3f9d n VAL 58 N -2.98 0.85 -3.60 6.82 0.24 -1.26 -5.04 118.33 113.36 3f9d n VAL 58 Ca -0.01 -0.70 -0.16 0.00 -2.04 0.00 0.00 64.34 61.42 3f9d n VAL 58 Cb 0.18 -0.30 -0.07 0.00 -1.47 0.00 0.00 33.84 32.19 3f9d n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3f9d s ARG 59 N -2.83 0.93 -0.07 7.34 3.52 -1.16 -5.15 118.95 121.53 3f9d s ARG 59 Ca -0.09 0.12 0.04 0.00 -0.13 0.00 0.00 55.73 55.67 3f9d s ARG 59 Cb 0.09 0.43 -0.02 0.00 -1.56 0.00 0.00 34.95 33.89 3f9d s ARG 59 CO 0.83 -0.28 -0.20 0.99 -0.81 0.00 0.00 175.30 175.83 3f9d s THR 60 N -1.23 2.53 -0.00 4.11 2.01 -1.26 -0.33 115.64 121.48 3f9d s THR 60 Ca -0.12 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.07 3f9d s THR 60 Cb -0.02 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 3f9d s THR 60 CO 0.08 0.57 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.45 3f9d s THR 61 N -0.23 1.86 0.02 -0.82 2.01 0.68 -4.99 115.64 114.17 3f9d s THR 61 Ca -0.01 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 60.96 3f9d s THR 61 Cb -0.13 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 3f9d s THR 61 CO 0.03 0.47 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.70 3f9d s GLU 62 N -0.71 0.82 -0.03 4.92 2.02 -1.26 -0.75 118.70 123.71 3f9d s GLU 62 Ca 0.09 -0.59 -0.12 0.00 0.02 0.00 0.00 54.97 54.37 3f9d s GLU 62 Cb -0.09 -0.79 0.02 0.00 0.10 0.00 0.00 34.13 33.37 3f9d s GLU 62 CO -0.00 0.20 0.27 -1.50 0.02 0.00 0.00 175.26 174.25 3f9d s ILE 63 N -0.66 0.05 0.08 -1.63 1.10 -0.30 -5.01 121.20 114.84 3f9d s ILE 63 Ca 0.01 -0.45 0.03 0.00 -0.51 0.00 0.00 60.65 59.73 3f9d s ILE 63 Cb -0.06 -0.54 -0.03 0.00 0.15 0.00 0.00 42.46 41.97 3f9d s ILE 63 CO 0.00 -0.25 -0.09 0.54 -2.11 0.00 0.00 174.94 173.03 3f9d s ASN 64 N -1.11 1.31 0.23 4.50 2.20 -1.26 -0.76 114.94 120.06 3f9d s ASN 64 Ca -0.12 -0.77 -0.22 0.00 -0.94 0.00 0.00 52.86 50.81 3f9d s ASN 64 Cb -0.05 0.02 0.05 0.00 -2.00 0.00 0.00 41.25 39.26 3f9d s ASN 64 CO 0.03 -0.26 0.86 0.72 -2.94 0.00 0.00 177.10 175.50 3f9d s PHE 65 N -2.31 -0.11 -0.06 1.54 -0.12 -0.92 -4.96 117.98 111.04 3f9d s PHE 65 Ca 0.03 -0.31 0.04 0.00 -0.05 0.00 0.00 56.93 56.64 3f9d s PHE 65 Cb -0.04 0.70 -0.00 0.00 -0.63 0.00 0.00 43.02 43.05 3f9d s PHE 65 CO -0.00 -1.08 -0.19 0.21 -0.05 0.00 0.00 175.22 174.10 3f9d s LYS 66 N -3.32 2.17 0.19 1.99 2.20 -1.26 -1.02 119.74 120.69 3f9d s LYS 66 Ca 0.13 -0.69 -0.33 0.00 -0.36 0.00 0.00 55.97 54.72 3f9d s LYS 66 Cb -0.04 -1.80 -0.14 0.00 -1.51 0.00 0.00 37.83 34.34 3f9d s LYS 66 CO 0.05 0.23 1.49 0.28 -0.36 0.00 0.00 175.35 177.05 3f9d n VAL 67 N 3.27 0.40 -0.09 4.02 0.31 0.17 -1.89 118.33 124.52 3f9d n VAL 67 Ca -0.19 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3f9d n VAL 67 Cb 0.53 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 3f9d n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f9d n GLY 68 N 2.84 0.73 3.19 2.92 0.00 0.46 -4.99 105.19 110.35 3f9d n GLY 68 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3f9d n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f9d s GLU 69 N -0.74 2.56 0.38 1.61 2.02 -0.79 -4.99 118.70 118.76 3f9d s GLU 69 Ca 0.00 -0.78 -0.27 0.00 0.02 0.00 0.00 54.97 53.94 3f9d s GLU 69 Cb 0.00 -2.04 -0.09 0.00 0.10 0.00 0.00 34.13 32.10 3f9d s GLU 69 CO 0.00 0.21 1.30 -2.00 0.02 0.00 0.00 175.26 174.79 3f9d s GLU 70 N 0.23 4.11 0.25 1.61 2.12 -1.26 -4.58 118.70 121.18 3f9d s GLU 70 Ca -0.13 2.16 -0.01 0.00 0.36 0.00 0.00 54.97 57.36 3f9d s GLU 70 Cb -0.16 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 3f9d s GLU 70 CO 0.06 -0.37 0.26 -0.59 -0.54 0.00 0.00 175.26 174.07 3f9d s PHE 71 N -1.23 1.18 -0.05 5.30 -0.71 -0.49 -4.98 117.98 117.00 3f9d s PHE 71 Ca 0.54 -1.35 0.01 0.00 -1.04 0.00 0.00 56.93 55.09 3f9d s PHE 71 Cb -0.38 -0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 40.96 3f9d s PHE 71 CO 0.50 -0.80 -0.06 -2.00 -1.34 0.00 0.00 175.22 171.51 3f9d s GLU 72 N -3.84 2.72 -0.03 1.99 2.12 -1.26 -0.23 118.70 120.18 3f9d s GLU 72 Ca 0.36 -0.58 -0.18 0.00 0.36 0.00 0.00 54.97 54.94 3f9d s GLU 72 Cb 0.04 -2.59 0.03 0.00 0.26 0.00 0.00 34.13 31.87 3f9d s GLU 72 CO 0.16 0.65 0.39 -2.00 -0.54 0.00 0.00 175.26 173.93 3f9d s GLU 73 N -0.96 0.74 0.46 4.30 2.12 -0.59 -4.94 118.70 119.81 3f9d s GLU 73 Ca 0.14 -0.06 -0.17 0.00 0.36 0.00 0.00 54.97 55.24 3f9d s GLU 73 Cb -0.11 0.33 -0.09 0.00 0.26 0.00 0.00 34.13 34.53 3f9d s GLU 73 CO 0.03 -0.21 0.92 1.14 -0.54 0.00 0.00 175.26 176.60 3f9d s GLN 74 N -1.21 4.01 0.97 4.30 -2.07 -1.26 -0.95 119.66 123.44 3f9d s GLN 74 Ca -0.12 0.90 -0.12 0.00 -1.82 0.00 0.00 55.36 54.20 3f9d s GLN 74 Cb -0.04 -2.22 0.17 0.00 -1.09 0.00 0.00 33.01 29.83 3f9d s GLN 74 CO 0.05 -0.13 1.09 0.95 -1.32 0.00 0.00 175.29 175.94 3f9d s THR 75 N -2.40 2.32 0.53 3.63 -4.23 0.33 -4.84 115.64 110.98 3f9d s THR 75 Ca 0.58 0.10 0.25 0.00 -1.18 0.00 0.00 61.69 61.45 3f9d s THR 75 Cb -0.10 -2.55 0.31 0.00 1.34 0.00 0.00 72.50 71.50 3f9d s THR 75 CO 0.25 -0.14 2.17 -0.37 -0.54 0.00 0.00 174.62 176.00 3f9d h VAL 76 N -1.80 0.69 -0.05 2.29 -1.51 -1.98 0.18 116.25 114.07 3f9d h VAL 76 Ca -0.53 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 3f9d h VAL 76 Cb 1.31 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3f9d h VAL 76 CO 0.55 0.04 0.00 -0.90 -1.23 0.00 0.00 177.57 176.04 3f9d n ASP 77 N -3.99 1.22 0.00 4.19 5.75 -1.26 -4.93 116.55 117.53 3f9d n ASP 77 Ca -0.03 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 3f9d n ASP 77 Cb 0.13 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3f9d n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f9d n GLY 78 N 1.12 1.12 3.76 6.12 0.00 0.64 -5.09 105.19 112.86 3f9d n GLY 78 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3f9d n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f9d s ARG 79 N -0.66 4.21 0.20 1.61 0.52 -1.26 -4.72 118.95 118.86 3f9d s ARG 79 Ca 0.00 0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 55.37 3f9d s ARG 79 Cb 0.00 -3.36 -0.09 0.00 0.52 0.00 0.00 34.95 32.02 3f9d s ARG 79 CO 0.00 0.36 1.38 -2.14 0.02 0.00 0.00 175.30 174.92 3f9d s PRO 80 N -0.03 4.33 0.08 3.54 0.02 -1.26 0.12 135.00 141.80 3f9d s PRO 80 Ca 0.25 2.16 -0.00 0.00 0.02 0.00 0.00 61.00 63.43 3f9d s PRO 80 Cb -0.16 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 3f9d s PRO 80 CO 0.12 -0.36 -0.02 0.00 -0.33 0.00 0.00 177.00 176.41 3f9d s LYS 82 N -3.93 4.23 0.19 0.00 3.01 -0.32 -1.55 119.74 121.38 3f9d s LYS 82 Ca 0.12 0.40 0.07 0.00 -1.01 0.00 0.00 55.97 55.56 3f9d s LYS 82 Cb 0.07 -3.38 -0.05 0.00 -1.01 0.00 0.00 37.83 33.47 3f9d s LYS 82 CO -0.06 0.30 -0.14 -1.12 0.51 0.00 0.00 175.35 174.84 3f9d s SER 83 N 0.17 2.50 -0.18 2.83 0.01 0.68 -1.06 113.70 118.64 3f9d s SER 83 Ca 0.24 -0.99 -0.08 0.00 1.31 0.00 0.00 55.95 56.43 3f9d s SER 83 Cb -0.15 -0.13 0.07 0.00 0.21 0.00 0.00 66.02 66.02 3f9d s SER 83 CO 0.10 -0.17 0.40 -0.22 0.41 0.00 0.00 173.24 173.77 3f9d s LEU 84 N -3.20 -0.27 -0.13 2.44 2.96 -0.79 -1.40 118.68 118.29 3f9d s LEU 84 Ca 0.21 0.90 -0.06 0.00 -0.22 0.00 0.00 54.13 54.96 3f9d s LEU 84 Cb -0.01 1.30 -0.04 0.00 0.50 0.00 0.00 46.19 47.94 3f9d s LEU 84 CO 0.06 -0.21 0.09 -0.69 -1.32 0.00 0.00 176.35 174.28 3f9d s VAL 85 N 1.85 5.06 0.09 1.68 1.01 -1.26 -1.88 120.40 126.94 3f9d s VAL 85 Ca -0.06 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.02 3f9d s VAL 85 Cb -0.10 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3f9d s VAL 85 CO -0.12 0.58 -0.16 -0.54 0.00 0.00 0.00 175.10 174.86 3f9d s LYS 86 N -0.64 0.92 -0.06 2.72 1.02 -0.64 -0.40 119.74 122.66 3f9d s LYS 86 Ca 0.12 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 54.76 3f9d s LYS 86 Cb -0.12 -0.96 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 3f9d s LYS 86 CO 0.02 0.21 1.36 -1.58 -0.92 0.00 0.00 175.35 174.45 3f9d s TRP 87 N -1.42 2.80 0.00 3.18 0.52 -1.26 -0.71 118.94 122.05 3f9d s TRP 87 Ca 0.02 0.86 0.09 0.00 0.02 0.00 0.00 56.10 57.08 3f9d s TRP 87 Cb -0.09 -3.61 -0.23 0.00 -1.15 0.00 0.00 33.47 28.39 3f9d s TRP 87 CO 0.03 -2.24 0.83 1.49 0.02 0.00 0.00 176.95 177.08 3f9d h GLU 88 N 8.07 0.04 0.00 4.98 4.81 -0.51 -3.48 114.58 128.50 3f9d h GLU 88 Ca -0.35 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.75 3f9d h GLU 88 Cb 1.16 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 3f9d h GLU 88 CO 0.92 0.71 0.09 -1.13 -0.73 0.00 0.00 179.01 178.88 3f9d n SER 89 N -3.18 -1.30 0.28 1.04 3.41 -0.96 -4.98 113.62 107.93 3f9d n SER 89 Ca -0.13 -2.09 0.12 0.00 -0.26 0.00 0.00 58.87 56.51 3f9d n SER 89 Cb 1.02 2.21 0.79 0.00 -0.26 0.00 0.00 64.21 67.97 3f9d n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3f9d h GLU 90 N 0.00 0.00 -0.00 4.33 4.81 -2.02 -2.79 114.58 118.91 3f9d h GLU 90 Ca -0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3f9d h GLU 90 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 3f9d h GLU 90 CO 0.26 0.00 0.00 0.27 -0.73 0.00 0.00 179.01 178.81 3f9d n ASN 91 N -4.17 2.23 -3.71 1.04 2.04 -1.26 -4.73 115.26 106.70 3f9d n ASN 91 Ca -0.03 -2.70 -0.13 0.00 -0.44 0.00 0.00 54.58 51.28 3f9d n ASN 91 Cb 0.09 -0.28 -0.13 0.00 -2.53 0.00 0.00 39.78 36.93 3f9d n ASN 91 CO 0.00 0.00 0.00 -0.75 -0.44 0.00 0.00 177.26 176.07 3f9d s LYS 92 N -2.21 0.18 0.11 -3.83 2.20 -1.05 -1.20 119.74 113.94 3f9d s LYS 92 Ca 0.21 0.58 0.09 0.00 -0.36 0.00 0.00 55.97 56.49 3f9d s LYS 92 Cb 0.18 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 3f9d s LYS 92 CO 0.02 -0.20 -0.20 0.00 -0.36 0.00 0.00 175.35 174.61 3f9d s MET 93 N 1.56 1.73 -0.03 4.03 0.23 -0.47 0.27 119.30 126.62 3f9d s MET 93 Ca -0.06 -1.20 0.03 0.00 -1.03 0.00 0.00 55.69 53.43 3f9d s MET 93 Cb -0.11 -2.07 0.00 0.00 -1.53 0.00 0.00 34.83 31.12 3f9d s MET 93 CO -0.08 0.48 -0.11 0.14 -2.03 0.00 0.00 175.02 173.41 3f9d s VAL 94 N -1.10 0.97 -0.23 5.16 -7.23 0.12 -1.95 120.40 116.15 3f9d s VAL 94 Ca 0.17 -0.46 -0.04 0.00 -1.81 0.00 0.00 61.98 59.83 3f9d s VAL 94 Cb -0.10 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.97 3f9d s VAL 94 CO 0.09 0.30 -0.02 0.00 -0.31 0.00 0.00 175.10 175.15 3f9d s GLU 96 N 1.50 3.87 0.02 0.00 -1.05 -0.79 -2.28 118.70 119.97 3f9d s GLU 96 Ca 0.06 0.24 0.05 0.00 -0.15 0.00 0.00 54.97 55.17 3f9d s GLU 96 Cb -0.15 -3.25 -0.02 0.00 -0.44 0.00 0.00 34.13 30.27 3f9d s GLU 96 CO -0.02 0.62 -0.16 -0.65 0.95 0.00 0.00 175.26 176.01 3f9d s GLN 97 N -0.77 1.16 -0.11 -4.83 -0.21 -1.21 -1.89 119.66 111.80 3f9d s GLN 97 Ca 0.21 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 54.90 3f9d s GLN 97 Cb -0.15 -1.17 0.02 0.00 1.00 0.00 0.00 33.01 32.71 3f9d s GLN 97 CO 0.10 0.30 -0.14 0.21 -2.12 0.00 0.00 175.29 173.65 3f9d s LYS 98 N -0.81 2.04 0.31 2.91 2.20 -0.23 -4.58 119.74 121.59 3f9d s LYS 98 Ca 0.05 -0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 3f9d s LYS 98 Cb -0.07 -1.79 -0.10 0.00 -1.51 0.00 0.00 37.83 34.36 3f9d s LYS 98 CO 0.01 -0.10 1.37 -1.17 -0.36 0.00 0.00 175.35 175.10 3f9d s LEU 99 N 1.09 4.40 0.10 5.43 2.96 -1.26 -1.17 118.68 130.22 3f9d s LEU 99 Ca -0.05 2.73 0.12 0.00 -0.22 0.00 0.00 54.13 56.71 3f9d s LEU 99 Cb -0.14 -3.64 -0.15 0.00 0.50 0.00 0.00 46.19 42.75 3f9d s LEU 99 CO -0.03 -0.63 1.07 -0.07 -1.32 0.00 0.00 176.35 175.37 3f9d h LEU 100 N 3.79 0.00 -8.16 -0.68 3.38 -1.68 -3.47 115.31 108.49 3f9d h LEU 100 Ca -0.48 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.05 3f9d h LEU 100 Cb 1.23 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.70 3f9d h LEU 100 CO 0.69 0.84 -0.79 -0.75 0.09 0.00 0.00 178.44 178.51 3f9d s LYS 101 N -2.76 0.91 2.89 1.13 2.20 -1.26 -5.11 119.74 117.74 3f9d s LYS 101 Ca -0.01 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 3f9d s LYS 101 Cb 0.09 -0.88 0.00 0.00 -1.51 0.00 0.00 37.83 35.53 3f9d s LYS 101 CO 0.81 0.24 0.00 0.41 -0.36 0.00 0.00 175.35 176.44 3f9d n GLY 102 N 2.57 0.40 3.44 5.54 0.00 -1.26 -4.89 105.19 110.99 3f9d n GLY 102 Ca -0.15 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 3f9d n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f9d s GLU 103 N 0.00 1.57 0.00 1.61 0.41 -1.26 -4.98 118.70 116.04 3f9d s GLU 103 Ca 0.00 -1.78 0.00 0.00 -0.41 0.00 0.00 54.97 52.78 3f9d s GLU 103 Cb 0.00 -1.25 0.00 0.00 -1.78 0.00 0.00 34.13 31.10 3f9d s GLU 103 CO 0.00 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.26 3f9d n GLY 104 N -0.59 -0.98 3.63 -1.39 0.00 -1.26 -5.14 105.19 99.47 3f9d n GLY 104 Ca -0.06 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 3f9d n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3f9d n PRO 105 N -0.17 1.22 -2.32 1.61 -0.02 -1.26 -4.94 135.00 129.12 3f9d n PRO 105 Ca 0.00 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 3f9d n PRO 105 Cb 0.00 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 3f9d n PRO 105 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3f9d s LYS 106 N -2.47 4.27 0.10 -0.52 2.20 -1.26 -4.79 119.74 117.27 3f9d s LYS 106 Ca 0.70 1.82 0.08 0.00 -0.36 0.00 0.00 55.97 58.21 3f9d s LYS 106 Cb -0.47 -3.70 -0.04 0.00 -1.51 0.00 0.00 37.83 32.12 3f9d s LYS 106 CO 0.52 -0.63 -0.18 0.95 -0.36 0.00 0.00 175.35 175.65 3f9d s THR 107 N 2.99 2.87 0.24 3.43 -4.23 -1.26 -0.41 115.64 119.26 3f9d s THR 107 Ca 0.60 -1.41 -0.15 0.00 -1.18 0.00 0.00 61.69 59.54 3f9d s THR 107 Cb -0.27 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.29 3f9d s THR 107 CO 0.21 0.16 0.53 -0.94 -0.54 0.00 0.00 174.62 174.04 3f9d s SER 108 N -1.98 -0.15 0.05 3.99 1.04 -0.97 -3.32 113.70 112.36 3f9d s SER 108 Ca 0.17 -0.77 -0.10 0.00 0.48 0.00 0.00 55.95 55.74 3f9d s SER 108 Cb -0.11 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3f9d s SER 108 CO 0.09 -1.16 0.20 -1.66 0.98 0.00 0.00 173.24 171.70 3f9d s TRP 109 N -3.97 0.06 0.04 5.02 1.48 -0.96 -1.43 118.94 119.18 3f9d s TRP 109 Ca 0.17 -0.33 0.01 0.00 -1.06 0.00 0.00 56.10 54.90 3f9d s TRP 109 Cb -0.02 -0.03 -0.02 0.00 -1.16 0.00 0.00 33.47 32.24 3f9d s TRP 109 CO 0.06 -0.46 -0.06 0.95 -4.06 0.00 0.00 176.95 173.37 3f9d s THR 110 N -2.88 0.40 -0.03 0.66 -4.23 0.09 0.19 115.64 109.84 3f9d s THR 110 Ca -0.03 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 3f9d s THR 110 Cb 0.00 -0.59 0.01 0.00 1.34 0.00 0.00 72.50 73.26 3f9d s THR 110 CO -0.06 -0.47 -0.08 -0.76 -0.54 0.00 0.00 174.62 172.72 3f9d s LEU 111 N -1.67 1.66 -0.01 4.79 1.43 -0.82 -1.47 118.68 122.58 3f9d s LEU 111 Ca -0.10 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3f9d s LEU 111 Cb -0.09 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.59 3f9d s LEU 111 CO -0.01 0.03 -0.05 -0.70 0.23 0.00 0.00 176.35 175.86 3f9d s GLU 112 N 0.43 0.52 -0.36 1.70 2.12 -0.23 -1.37 118.70 121.51 3f9d s GLU 112 Ca -0.07 -0.16 -0.09 0.00 0.36 0.00 0.00 54.97 55.02 3f9d s GLU 112 Cb -0.11 -0.53 0.03 0.00 0.26 0.00 0.00 34.13 33.79 3f9d s GLU 112 CO 0.01 0.06 0.17 -1.17 -0.54 0.00 0.00 175.26 173.78 3f9d s LEU 113 N 0.20 4.58 0.80 2.70 0.20 -0.34 -0.12 118.68 126.70 3f9d s LEU 113 Ca -0.02 -1.07 -0.11 0.00 0.69 0.00 0.00 54.13 53.61 3f9d s LEU 113 Cb -0.06 -1.96 0.07 0.00 -0.43 0.00 0.00 46.19 43.81 3f9d s LEU 113 CO -0.00 -0.37 1.09 0.42 -0.29 0.00 0.00 176.35 177.20 3f9d s THR 114 N 1.49 3.09 0.36 3.68 -4.23 -0.22 -4.85 115.64 114.96 3f9d s THR 114 Ca 0.00 0.35 0.20 0.00 -1.18 0.00 0.00 61.69 61.07 3f9d s THR 114 Cb -0.19 -3.05 0.19 0.00 1.34 0.00 0.00 72.50 70.79 3f9d s THR 114 CO 0.05 -0.46 1.93 -0.55 -0.54 0.00 0.00 174.62 175.05 3f9d h ASN 115 N -1.13 0.00 -0.59 3.99 -0.00 -1.99 -2.33 115.58 113.52 3f9d h ASN 115 Ca -0.47 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 55.62 3f9d h ASN 115 Cb 1.26 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 39.46 3f9d h ASN 115 CO 0.58 0.24 0.27 -0.90 -0.00 0.00 0.00 177.43 177.63 3f9d n ASP 116 N -3.85 3.94 -1.04 6.14 5.75 -1.26 -4.94 116.55 121.29 3f9d n ASP 116 Ca -0.02 -2.96 -0.10 0.00 -0.01 0.00 0.00 54.79 51.71 3f9d n ASP 116 Cb 0.33 -0.70 -0.02 0.00 -1.03 0.00 0.00 41.12 39.71 3f9d n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f9d n GLY 117 N -0.20 0.28 3.91 6.12 0.00 -0.88 -5.04 105.19 109.39 3f9d n GLY 117 Ca 0.33 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3f9d n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f9d s GLU 118 N -4.05 3.56 -0.19 1.61 2.02 -1.26 -4.40 118.70 116.00 3f9d s GLU 118 Ca 0.00 -0.21 -0.04 0.00 0.02 0.00 0.00 54.97 54.74 3f9d s GLU 118 Cb 0.00 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.35 3f9d s GLU 118 CO 0.00 0.46 -0.03 -1.17 0.02 0.00 0.00 175.26 174.54 3f9d s LEU 119 N -2.87 3.12 -0.18 1.80 2.96 0.10 -1.05 118.68 122.56 3f9d s LEU 119 Ca 0.40 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 54.04 3f9d s LEU 119 Cb -0.12 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 3f9d s LEU 119 CO 0.27 0.08 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.66 3f9d s ILE 120 N 0.90 3.23 -0.14 6.68 1.09 0.83 -0.78 121.20 133.01 3f9d s ILE 120 Ca -0.00 -0.57 -0.04 0.00 -1.10 0.00 0.00 60.65 58.94 3f9d s ILE 120 Cb -0.14 -2.42 -0.03 0.00 -1.06 0.00 0.00 42.46 38.81 3f9d s ILE 120 CO 0.01 0.48 -0.02 -0.22 -0.10 0.00 0.00 174.94 175.09 3f9d s LEU 121 N 0.91 3.38 -0.04 2.97 2.96 0.52 -1.06 118.68 128.32 3f9d s LEU 121 Ca -0.02 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.92 3f9d s LEU 121 Cb -0.15 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3f9d s LEU 121 CO 0.00 0.22 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.11 3f9d s THR 122 N 0.09 2.10 -0.05 3.68 2.01 -0.54 -0.93 115.64 122.00 3f9d s THR 122 Ca 0.01 -1.08 0.04 0.00 0.31 0.00 0.00 61.69 60.97 3f9d s THR 122 Cb -0.13 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.64 3f9d s THR 122 CO 0.02 0.58 -0.16 -0.04 -0.69 0.00 0.00 174.62 174.33 3f9d s MET 123 N -0.44 1.78 0.02 4.92 -1.94 0.27 -0.73 119.30 123.19 3f9d s MET 123 Ca 0.05 -0.55 0.08 0.00 -1.71 0.00 0.00 55.69 53.56 3f9d s MET 123 Cb -0.12 -1.51 -0.02 0.00 2.01 0.00 0.00 34.83 35.19 3f9d s MET 123 CO 0.01 0.16 -0.23 0.95 -0.01 0.00 0.00 175.02 175.91 3f9d s THR 124 N 0.26 1.80 -0.20 2.05 -4.23 -0.52 -0.10 115.64 114.71 3f9d s THR 124 Ca -0.08 -1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 59.25 3f9d s THR 124 Cb -0.13 -1.53 0.07 0.00 1.34 0.00 0.00 72.50 72.24 3f9d s THR 124 CO 0.03 0.36 0.08 0.00 -0.54 0.00 0.00 174.62 174.55 3f9d s ALA 125 N -0.69 0.63 0.00 3.99 0.00 -0.49 -2.28 121.76 122.92 3f9d s ALA 125 Ca 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3f9d s ALA 125 Cb -0.09 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.90 3f9d s ALA 125 CO 0.01 -1.25 0.00 -0.25 0.00 0.00 0.00 175.76 174.27 3f9d n ASP 126 N 5.20 0.00 -0.50 0.00 8.00 0.45 -1.40 116.55 128.31 3f9d n ASP 126 Ca -0.07 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.53 3f9d n ASP 126 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3f9d n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3f9d n ASP 127 N 8.94 2.00 -4.73 -2.24 5.68 -1.26 -4.93 116.55 120.01 3f9d n ASP 127 Ca 0.00 -1.50 -0.41 0.00 -0.50 0.00 0.00 54.79 52.39 3f9d n ASP 127 Cb 0.00 0.44 -0.05 0.00 -1.14 0.00 0.00 41.12 40.38 3f9d n ASP 127 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3f9d s VAL 128 N -2.29 4.66 -0.08 2.12 1.01 -0.49 -5.05 120.40 120.28 3f9d s VAL 128 Ca 0.18 1.85 0.03 0.00 0.00 0.00 0.00 61.98 64.03 3f9d s VAL 128 Cb 0.17 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3f9d s VAL 128 CO 0.51 0.32 -0.17 -0.69 0.00 0.00 0.00 175.10 175.07 3f9d s VAL 129 N 0.11 1.52 -0.05 2.92 1.01 -1.26 -1.40 120.40 123.25 3f9d s VAL 129 Ca 0.43 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3f9d s VAL 129 Cb -0.22 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3f9d s VAL 129 CO 0.26 0.44 -0.18 0.00 0.00 0.00 0.00 175.10 175.62 3f9d s THR 131 N -0.60 1.21 -0.01 0.00 2.01 -0.77 -0.56 115.64 116.92 3f9d s THR 131 Ca 0.09 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.58 3f9d s THR 131 Cb -0.11 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 3f9d s THR 131 CO 0.01 0.36 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.63 3f9d s LYS 132 N 0.41 1.08 -0.07 4.92 1.02 -0.10 -0.43 119.74 126.57 3f9d s LYS 132 Ca -0.10 -0.50 0.04 0.00 0.02 0.00 0.00 55.97 55.43 3f9d s LYS 132 Cb -0.14 -1.05 -0.00 0.00 -0.52 0.00 0.00 37.83 36.12 3f9d s LYS 132 CO 0.03 0.29 -0.20 0.08 -0.92 0.00 0.00 175.35 174.63 3f9d s VAL 133 N -0.35 1.70 0.20 3.17 1.01 0.03 -0.36 120.40 125.80 3f9d s VAL 133 Ca 0.05 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.27 3f9d s VAL 133 Cb -0.05 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 3f9d s VAL 133 CO -0.00 0.48 -0.16 -0.31 0.00 0.00 0.00 175.10 175.10 3f9d s TYR 134 N 0.18 1.81 0.20 5.22 1.51 0.04 -0.63 117.35 125.68 3f9d s TYR 134 Ca -0.10 -0.51 0.07 0.00 -1.01 0.00 0.00 57.07 55.52 3f9d s TYR 134 Cb -0.15 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.80 3f9d s TYR 134 CO 0.05 0.39 -0.12 0.14 -1.11 0.00 0.00 175.55 174.90 3f9d s VAL 135 N -2.60 1.58 0.42 0.71 -7.23 -0.48 -0.72 120.40 112.09 3f9d s VAL 135 Ca 0.21 -2.16 -0.25 0.00 -1.81 0.00 0.00 61.98 57.96 3f9d s VAL 135 Cb -0.03 -2.07 -0.08 0.00 0.56 0.00 0.00 36.38 34.76 3f9d s VAL 135 CO 0.08 -0.58 1.24 -0.13 -0.31 0.00 0.00 175.10 175.40 3f9d s ARG 136 N -3.69 3.92 0.00 4.82 0.52 -1.26 -0.77 118.95 122.48 3f9d s ARG 136 Ca 0.23 2.00 0.08 0.00 -0.52 0.00 0.00 55.73 57.51 3f9d s ARG 136 Cb 0.01 -2.65 0.48 0.00 0.52 0.00 0.00 34.95 33.31 3f9d s ARG 136 CO 0.06 -0.48 0.94 0.39 0.02 0.00 0.00 175.30 176.23