#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4d s SER 2 N 0.00 3.11 0.16 1.61 0.15 -1.26 -5.14 113.70 112.33 1x4d s SER 2 Ca 0.00 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.24 1x4d s SER 2 Cb 0.00 -0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.85 1x4d s SER 2 CO 0.00 0.31 0.17 -0.44 1.20 0.00 0.00 173.24 174.49 1x4d s SER 3 N -0.57 5.72 0.00 5.45 0.01 -1.26 -4.89 113.70 118.16 1x4d s SER 3 Ca 0.09 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1x4d s SER 3 Cb -0.10 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.57 1x4d s SER 3 CO -0.00 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1x4d n GLY 4 N -0.40 0.60 3.49 3.44 0.00 -1.26 -5.06 105.19 105.99 1x4d n GLY 4 Ca -0.08 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.48 1x4d n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4d n SER 5 N 0.00 2.18 -3.98 1.61 3.41 -1.26 -4.90 113.62 110.68 1x4d n SER 5 Ca 0.00 0.19 -0.18 0.00 -0.26 0.00 0.00 58.87 58.62 1x4d n SER 5 Cb 0.00 -1.34 -0.09 0.00 -0.26 0.00 0.00 64.21 62.52 1x4d n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4d s SER 6 N 8.52 1.35 -0.03 4.04 0.01 -1.26 -5.10 113.70 121.23 1x4d s SER 6 Ca 1.09 -1.54 0.07 0.00 1.31 0.00 0.00 55.95 56.87 1x4d s SER 6 Cb -0.69 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 1x4d s SER 6 CO 0.43 -0.89 -0.24 -0.83 0.41 0.00 0.00 173.24 172.12 1x4d s GLY 7 N -3.34 1.31 0.28 3.44 0.00 -1.26 -5.13 107.32 102.62 1x4d s GLY 7 Ca 0.37 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.94 1x4d s GLY 7 CO 0.17 -0.88 0.39 -0.86 0.00 0.00 0.00 173.10 171.93 1x4d s GLN 8 N -0.58 1.62 0.00 2.90 0.00 -1.26 -5.02 119.66 117.32 1x4d s GLN 8 Ca 0.09 -1.56 0.14 0.00 -0.00 0.00 0.00 55.36 54.03 1x4d s GLN 8 Cb -0.10 0.41 0.85 0.00 0.00 0.00 0.00 33.01 34.16 1x4d s GLN 8 CO -0.00 -0.64 1.43 0.36 0.00 0.00 0.00 175.29 176.43 1x4d n LYS 9 N -0.44 0.84 -3.48 9.60 2.85 -1.26 -4.73 118.16 121.55 1x4d n LYS 9 Ca 0.01 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.89 1x4d n LYS 9 Cb 0.63 -1.27 -0.09 0.00 -0.65 0.00 0.00 35.03 33.65 1x4d n LYS 9 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1x4d s GLY 10 N -1.61 1.99 0.04 2.58 0.00 -1.26 -5.07 107.32 103.99 1x4d s GLY 10 Ca 0.21 -0.75 -0.22 0.00 0.00 0.00 0.00 44.72 43.96 1x4d s GLY 10 CO 0.16 0.73 0.65 0.50 0.00 0.00 0.00 173.10 175.15 1x4d s ARG 11 N 1.48 4.37 0.00 2.90 0.52 -1.26 -4.94 118.95 122.02 1x4d s ARG 11 Ca 0.14 0.86 0.00 0.00 -0.52 0.00 0.00 55.73 56.21 1x4d s ARG 11 Cb -0.15 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.00 1x4d s ARG 11 CO 0.08 0.42 0.00 1.33 0.02 0.00 0.00 175.30 177.14 1x4d n VAL 12 N 2.44 0.00 -2.55 3.52 0.24 -1.26 -5.09 118.33 115.63 1x4d n VAL 12 Ca -0.06 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.17 1x4d n VAL 12 Cb 0.50 0.12 0.01 0.00 -1.47 0.00 0.00 33.84 33.00 1x4d n VAL 12 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1x4d n GLU 13 N -1.25 -0.45 -4.58 7.34 1.02 -1.26 -4.98 120.64 116.48 1x4d n GLU 13 Ca 0.00 0.66 -0.27 0.00 -0.02 0.00 0.00 57.16 57.53 1x4d n GLU 13 Cb 0.09 -0.87 -0.10 0.00 -0.02 0.00 0.00 31.44 30.54 1x4d n GLU 13 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1x4d s THR 14 N -0.80 1.29 0.53 2.62 -1.32 -1.26 -5.10 115.64 111.59 1x4d s THR 14 Ca 0.06 -2.00 -0.14 0.00 -1.21 0.00 0.00 61.69 58.40 1x4d s THR 14 Cb -0.01 -2.61 -0.12 0.00 -1.51 0.00 0.00 72.50 68.25 1x4d s THR 14 CO 0.14 0.00 -0.27 -1.14 -2.21 0.00 0.00 174.62 171.14 1x4d n ARG 15 N -0.95 0.00 -3.58 7.08 0.63 -1.26 -4.64 116.66 113.94 1x4d n ARG 15 Ca -0.08 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.45 1x4d n ARG 15 Cb 0.66 -0.81 -0.10 0.00 0.45 0.00 0.00 32.46 32.67 1x4d n ARG 15 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x4d s ARG 16 N -1.05 2.68 -0.34 -0.14 3.00 -1.26 -4.83 118.95 117.01 1x4d s ARG 16 Ca 0.42 -1.38 -0.00 0.00 0.00 0.00 0.00 55.73 54.76 1x4d s ARG 16 Cb -0.33 -3.81 0.13 0.00 0.00 0.00 0.00 34.95 30.95 1x4d s ARG 16 CO 0.57 -0.92 0.22 0.08 0.00 0.00 0.00 175.30 175.26 1x4d s VAL 17 N 1.47 0.03 -0.48 3.52 1.01 -1.25 -3.43 120.40 121.28 1x4d s VAL 17 Ca 0.03 -1.43 -0.27 0.00 0.00 0.00 0.00 61.98 60.31 1x4d s VAL 17 Cb -0.22 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.15 1x4d s VAL 17 CO 0.03 -0.89 1.00 0.54 0.00 0.00 0.00 175.10 175.79 1x4d s VAL 18 N 1.32 4.37 0.13 2.92 0.11 -0.18 -0.12 120.40 128.95 1x4d s VAL 18 Ca 0.16 0.87 -0.20 0.00 -2.93 0.00 0.00 61.98 59.88 1x4d s VAL 18 Cb -0.21 -4.51 -0.07 0.00 -1.53 0.00 0.00 36.38 30.06 1x4d s VAL 18 CO -0.07 -0.93 0.64 -2.28 -3.33 0.00 0.00 175.10 169.14 1x4d s HIS 19 N 4.03 3.79 -0.03 1.54 2.46 -0.25 -1.65 115.29 125.19 1x4d s HIS 19 Ca 0.40 1.37 0.01 0.00 0.47 0.00 0.00 55.06 57.31 1x4d s HIS 19 Cb -0.09 -2.57 0.02 0.00 -0.13 0.00 0.00 32.58 29.81 1x4d s HIS 19 CO 0.28 0.52 -0.02 0.42 -2.47 0.00 0.00 174.74 173.47 1x4d s ILE 20 N -1.21 0.31 0.30 0.89 1.01 -0.12 -0.99 121.20 121.38 1x4d s ILE 20 Ca 0.34 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.00 1x4d s ILE 20 Cb -0.20 -0.36 -0.06 0.00 0.01 0.00 0.00 42.46 41.85 1x4d s ILE 20 CO 0.21 0.16 0.07 -0.04 0.00 0.00 0.00 174.94 175.35 1x4d s MET 21 N 0.84 1.55 0.00 2.79 -1.94 -1.08 -2.19 119.30 119.28 1x4d s MET 21 Ca -0.09 -1.85 0.00 0.00 -1.71 0.00 0.00 55.69 52.03 1x4d s MET 21 Cb -0.13 -0.61 0.00 0.00 2.01 0.00 0.00 34.83 36.11 1x4d s MET 21 CO -0.01 -0.23 0.00 -3.47 -0.01 0.00 0.00 175.02 171.30 1x4d n ASP 22 N -0.59 -4.05 -4.80 3.03 2.03 -1.24 -1.63 116.55 109.30 1x4d n ASP 22 Ca -0.01 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.92 1x4d n ASP 22 Cb 0.66 -1.60 -0.06 0.00 -0.72 0.00 0.00 41.12 39.40 1x4d n ASP 22 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1x4d s PHE 23 N -1.65 3.67 0.69 -0.67 -0.71 -1.26 -4.71 117.98 113.34 1x4d s PHE 23 Ca 0.00 0.96 0.01 0.00 -1.04 0.00 0.00 56.93 56.86 1x4d s PHE 23 Cb 0.00 -2.36 0.12 0.00 -1.21 0.00 0.00 43.02 39.57 1x4d s PHE 23 CO 0.00 0.51 0.96 -0.65 -1.34 0.00 0.00 175.22 174.69 1x4d s GLN 24 N -0.59 1.79 0.34 1.99 -1.52 -1.26 -4.69 119.66 115.73 1x4d s GLN 24 Ca 0.24 -1.20 0.07 0.00 -1.95 0.00 0.00 55.36 52.53 1x4d s GLN 24 Cb -0.16 -2.39 -0.07 0.00 -0.22 0.00 0.00 33.01 30.17 1x4d s GLN 24 CO 0.12 -1.34 -0.04 1.03 -0.25 0.00 0.00 175.29 174.82 1x4d s ARG 25 N -5.06 1.77 0.00 2.91 0.52 -1.26 -4.96 118.95 112.88 1x4d s ARG 25 Ca 0.65 -1.94 0.00 0.00 -0.52 0.00 0.00 55.73 53.92 1x4d s ARG 25 Cb -0.05 -1.44 0.00 0.00 0.52 0.00 0.00 34.95 33.98 1x4d s ARG 25 CO 0.43 0.02 0.00 0.41 0.02 0.00 0.00 175.30 176.18 1x4d n GLY 26 N -0.78 -0.88 1.22 -3.53 0.00 -1.26 -5.01 105.19 94.95 1x4d n GLY 26 Ca -0.05 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1x4d n GLY 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x4d n LYS 27 N 0.00 0.00 -1.24 1.61 2.85 -1.26 -4.83 118.16 115.29 1x4d n LYS 27 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 1x4d n LYS 27 Cb 0.00 -0.41 0.14 0.00 -0.65 0.00 0.00 35.03 34.11 1x4d n LYS 27 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1x4d n ASN 28 N -3.40 4.54 0.19 -5.58 5.03 -1.26 -4.73 115.26 110.05 1x4d n ASN 28 Ca 0.00 -3.74 -0.15 0.00 0.87 0.00 0.00 54.58 51.56 1x4d n ASN 28 Cb 0.07 -0.74 -0.07 0.00 -1.02 0.00 0.00 39.78 38.01 1x4d n ASN 28 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1x4d h LEU 29 N 1.43 -0.93 -1.24 3.41 7.12 -1.93 -1.02 115.31 122.15 1x4d h LEU 29 Ca 0.46 0.09 0.35 0.00 0.13 0.00 0.00 57.88 58.91 1x4d h LEU 29 Cb 1.76 0.32 -0.05 0.00 -0.53 0.00 0.00 40.66 42.17 1x4d h LEU 29 CO 0.96 -0.47 1.26 -0.09 -0.13 0.00 0.00 178.44 179.97 1x4d h ARG 30 N -0.67 0.00 0.16 1.25 2.43 -1.95 1.51 114.38 117.11 1x4d h ARG 30 Ca -0.01 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.81 1x4d h ARG 30 Cb 0.63 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1x4d h ARG 30 CO -0.09 0.00 -1.84 -0.92 -1.51 0.00 0.00 179.97 175.61 1x4d h TYR 31 N 0.00 0.61 -0.43 2.20 5.03 -1.58 -3.19 116.97 119.60 1x4d h TYR 31 Ca 0.58 -0.44 0.07 0.00 2.58 0.00 0.00 58.73 61.51 1x4d h TYR 31 Cb 3.08 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 41.27 1x4d h TYR 31 CO 0.00 1.72 0.06 1.96 -1.32 0.00 0.00 178.16 180.58 1x4d h GLN 32 N 0.07 0.17 -0.48 1.82 1.08 0.27 0.29 115.11 118.33 1x4d h GLN 32 Ca -0.38 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 56.73 1x4d h GLN 32 Cb 2.05 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 29.43 1x4d h GLN 32 CO 0.13 0.12 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.03 1x4d h LEU 33 N 0.18 0.86 -1.19 1.46 3.38 -1.57 -2.91 115.31 115.52 1x4d h LEU 33 Ca 0.21 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1x4d h LEU 33 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1x4d h LEU 33 CO -0.30 0.98 0.09 -0.07 0.09 0.00 0.00 178.44 179.22 1x4d h LEU 34 N 0.73 0.61 -0.43 1.67 3.38 -1.36 -1.55 115.31 118.35 1x4d h LEU 34 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1x4d h LEU 34 Cb 0.55 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1x4d h LEU 34 CO 0.03 0.62 0.01 0.00 0.09 0.00 0.00 178.44 179.19 1x4d n GLN 35 N -4.30 0.04 0.14 1.13 1.13 0.96 0.74 117.38 117.22 1x4d n GLN 35 Ca 0.03 0.53 0.12 0.00 -1.94 0.00 0.00 57.00 55.74 1x4d n GLN 35 Cb 0.21 -1.65 0.21 0.00 0.11 0.00 0.00 30.24 29.12 1x4d n GLN 35 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1x4d h LEU 36 N 0.00 0.00 0.00 1.08 3.38 -1.35 -3.35 115.31 115.07 1x4d h LEU 36 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x4d h LEU 36 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1x4d h LEU 36 CO 0.00 0.02 -0.36 1.33 0.09 0.00 0.00 178.44 179.52 1x4d n VAL 37 N -2.64 0.00 0.33 1.22 0.24 0.66 -4.73 118.33 113.40 1x4d n VAL 37 Ca 0.04 -0.18 -0.18 0.00 -2.04 0.00 0.00 64.34 61.97 1x4d n VAL 37 Cb 0.49 0.69 -0.09 0.00 -1.47 0.00 0.00 33.84 33.46 1x4d n VAL 37 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1x4d h GLU 38 N 0.00 -0.93 0.00 7.34 4.22 0.18 0.88 114.58 126.26 1x4d h GLU 38 Ca 0.00 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1x4d h GLU 38 Cb 0.00 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1x4d h GLU 38 CO 0.00 -0.62 0.00 -0.35 -2.18 0.00 0.00 179.01 175.86 1x4d n PRO 39 N -5.54 0.49 -0.03 0.92 -0.04 -1.26 -2.14 135.00 127.39 1x4d n PRO 39 Ca -0.12 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.34 1x4d n PRO 39 Cb 0.43 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1x4d n PRO 39 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x4d n PHE 40 N -0.90 0.00 -1.32 0.54 3.72 -0.63 -5.10 117.46 113.77 1x4d n PHE 40 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1x4d n PHE 40 Cb 0.04 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 1x4d n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4d n GLY 41 N 1.97 1.72 3.64 1.37 0.00 0.21 -4.65 105.19 109.46 1x4d n GLY 41 Ca -0.11 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1x4d n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4d s VAL 42 N -0.63 3.79 -0.34 1.61 0.11 -1.26 -4.55 120.40 119.13 1x4d s VAL 42 Ca 0.00 -1.02 -0.21 0.00 -2.93 0.00 0.00 61.98 57.82 1x4d s VAL 42 Cb 0.00 -2.77 0.00 0.00 -1.53 0.00 0.00 36.38 32.08 1x4d s VAL 42 CO 0.00 0.16 0.67 -0.63 -3.33 0.00 0.00 175.10 171.97 1x4d s ILE 43 N -1.23 4.87 -0.18 7.04 -1.09 -1.26 -3.29 121.20 126.06 1x4d s ILE 43 Ca 0.23 0.74 -0.12 0.00 -2.23 0.00 0.00 60.65 59.27 1x4d s ILE 43 Cb -0.11 -4.08 -0.22 0.00 -1.58 0.00 0.00 42.46 36.47 1x4d s ILE 43 CO 0.15 -0.28 0.21 -1.20 -1.23 0.00 0.00 174.94 172.59 1x4d n SER 44 N 6.07 2.00 -3.54 3.58 7.64 -0.52 -4.90 113.62 123.95 1x4d n SER 44 Ca -0.00 0.27 0.02 0.00 1.01 0.00 0.00 58.87 60.18 1x4d n SER 44 Cb 0.49 -0.87 -0.06 0.00 -1.01 0.00 0.00 64.21 62.76 1x4d n SER 44 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1x4d s ASN 45 N -6.97 -0.10 0.29 6.43 0.01 -0.85 -4.93 114.94 108.82 1x4d s ASN 45 Ca -0.27 0.15 0.09 0.00 -0.71 0.00 0.00 52.86 52.12 1x4d s ASN 45 Cb 0.07 1.06 -0.04 0.00 0.41 0.00 0.00 41.25 42.75 1x4d s ASN 45 CO 0.67 -0.02 0.03 -1.38 -1.51 0.00 0.00 177.10 174.89 1x4d s HIS 46 N 1.30 2.69 -0.07 2.20 -3.43 -1.26 0.48 115.29 117.20 1x4d s HIS 46 Ca -0.06 -0.28 -0.03 0.00 -0.80 0.00 0.00 55.06 53.89 1x4d s HIS 46 Cb -0.02 -1.33 0.04 0.00 -1.43 0.00 0.00 32.58 29.84 1x4d s HIS 46 CO -0.12 0.54 0.14 -1.17 -2.00 0.00 0.00 174.74 172.13 1x4d s LEU 47 N -3.72 0.14 -0.27 5.38 0.20 0.70 -4.94 118.68 116.18 1x4d s LEU 47 Ca 0.33 0.28 0.01 0.00 0.69 0.00 0.00 54.13 55.44 1x4d s LEU 47 Cb -0.05 0.21 0.07 0.00 -0.43 0.00 0.00 46.19 46.00 1x4d s LEU 47 CO 0.21 -0.22 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.40 1x4d s ILE 48 N 2.03 1.55 0.33 6.68 1.01 -1.26 -1.00 121.20 130.53 1x4d s ILE 48 Ca 0.01 -1.45 -0.29 0.00 0.00 0.00 0.00 60.65 58.92 1x4d s ILE 48 Cb -0.12 -1.93 -0.10 0.00 0.01 0.00 0.00 42.46 40.32 1x4d s ILE 48 CO -0.05 -0.29 1.32 -0.76 0.00 0.00 0.00 174.94 175.16 1x4d s LEU 49 N 1.35 4.42 -0.44 2.97 1.43 -1.17 -4.92 118.68 122.32 1x4d s LEU 49 Ca -0.00 2.70 0.02 0.00 -1.03 0.00 0.00 54.13 55.81 1x4d s LEU 49 Cb -0.19 -3.65 0.49 0.00 0.03 0.00 0.00 46.19 42.88 1x4d s LEU 49 CO -0.10 -0.55 1.86 0.59 0.23 0.00 0.00 176.35 178.38 1x4d n ASN 50 N 0.86 4.92 -0.00 2.29 3.02 -1.26 -4.18 115.26 120.91 1x4d n ASN 50 Ca 0.00 -3.41 -0.00 0.00 -0.03 0.00 0.00 54.58 51.14 1x4d n ASN 50 Cb 0.42 -0.86 -0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1x4d n ASN 50 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x4d n LYS 51 N -0.74 0.01 -1.48 3.52 5.02 -1.26 -5.12 118.16 118.12 1x4d n LYS 51 Ca 0.51 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1x4d n LYS 51 Cb 1.18 -0.85 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 1x4d n LYS 51 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1x4d n ILE 52 N -2.68 0.00 -1.59 -0.18 -0.00 -1.26 -5.05 119.36 108.61 1x4d n ILE 52 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.41 1x4d n ILE 52 Cb 0.51 0.00 0.02 0.00 -0.00 0.00 0.00 39.64 40.17 1x4d n ILE 52 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1x4d n ASN 53 N -1.89 7.19 -4.30 7.28 3.02 -1.26 -4.78 115.26 120.53 1x4d n ASN 53 Ca 0.00 -3.59 -0.33 0.00 -0.03 0.00 0.00 54.58 50.63 1x4d n ASN 53 Cb 0.00 -1.09 -0.15 0.00 -0.61 0.00 0.00 39.78 37.93 1x4d n ASN 53 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1x4d s GLU 54 N -3.19 3.26 0.03 3.52 2.02 -1.26 -3.65 118.70 119.43 1x4d s GLU 54 Ca 0.54 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.78 1x4d s GLU 54 Cb 0.42 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 1x4d s GLU 54 CO -0.24 0.12 0.00 0.00 0.02 0.00 0.00 175.26 175.16 1x4d s ALA 55 N 0.56 0.13 -0.04 5.21 0.00 -0.93 -3.05 121.76 123.63 1x4d s ALA 55 Ca -0.10 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 1x4d s ALA 55 Cb -0.16 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1x4d s ALA 55 CO 0.04 -0.22 0.09 -0.06 0.00 0.00 0.00 175.76 175.60 1x4d s PHE 56 N -2.06 -0.05 -0.09 0.00 0.40 -0.17 -0.95 117.98 115.06 1x4d s PHE 56 Ca -0.10 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 1x4d s PHE 56 Cb -0.05 -0.21 -0.03 0.00 0.51 0.00 0.00 43.02 43.24 1x4d s PHE 56 CO -0.03 -0.15 -0.07 0.42 0.70 0.00 0.00 175.22 176.09 1x4d s ILE 57 N 1.36 3.64 -0.25 0.64 1.01 -0.66 -0.21 121.20 126.73 1x4d s ILE 57 Ca -0.06 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 1x4d s ILE 57 Cb -0.12 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1x4d s ILE 57 CO -0.04 0.57 0.05 -0.70 0.00 0.00 0.00 174.94 174.82 1x4d s GLU 58 N -0.49 3.55 0.39 2.79 2.12 0.18 -1.01 118.70 126.24 1x4d s GLU 58 Ca 0.07 -0.54 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 1x4d s GLU 58 Cb -0.12 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1x4d s GLU 58 CO 0.02 -0.21 0.67 -1.64 -0.54 0.00 0.00 175.26 173.56 1x4d s MET 59 N 1.58 3.58 0.46 4.30 -1.94 -1.22 -1.44 119.30 124.62 1x4d s MET 59 Ca 0.06 0.06 0.25 0.00 -1.71 0.00 0.00 55.69 54.35 1x4d s MET 59 Cb -0.15 -2.51 1.05 0.00 2.01 0.00 0.00 34.83 35.23 1x4d s MET 59 CO 0.02 0.00 1.89 0.00 -0.01 0.00 0.00 175.02 176.92 1x4d h ALA 60 N 0.83 1.08 -3.12 3.03 0.00 -1.90 -3.43 119.26 115.75 1x4d h ALA 60 Ca -0.48 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.03 1x4d h ALA 60 Cb 1.20 -0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.65 1x4d h ALA 60 CO 0.63 0.25 -0.53 0.95 0.00 0.00 0.00 179.25 180.55 1x4d s THR 61 N -3.78 -0.04 0.48 0.00 -4.23 -1.26 -5.01 115.64 101.80 1x4d s THR 61 Ca -0.00 0.16 0.22 0.00 -1.18 0.00 0.00 61.69 60.89 1x4d s THR 61 Cb 0.11 -0.32 0.22 0.00 1.34 0.00 0.00 72.50 73.85 1x4d s THR 61 CO 0.62 0.07 1.64 0.00 -0.54 0.00 0.00 174.62 176.41 1x4d h THR 62 N 5.95 0.00 0.00 3.99 1.03 -1.83 0.25 112.91 122.30 1x4d h THR 62 Ca -0.42 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 65.95 1x4d h THR 62 Cb 1.15 0.49 -0.00 0.00 -1.07 0.00 0.00 68.15 68.71 1x4d h THR 62 CO 0.40 0.00 -0.15 -0.33 -0.01 0.00 0.00 175.52 175.42 1x4d h GLU 63 N 0.00 0.00 0.00 0.00 4.39 -1.94 -1.17 114.58 115.85 1x4d h GLU 63 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x4d h GLU 63 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1x4d h GLU 63 CO 0.00 0.15 -0.12 -0.44 -1.16 0.00 0.00 179.01 177.44 1x4d h ASP 64 N 0.00 0.00 -0.64 1.42 3.32 -0.76 -3.22 116.42 116.55 1x4d h ASP 64 Ca -0.00 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.18 1x4d h ASP 64 Cb 0.28 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.71 1x4d h ASP 64 CO 0.02 0.50 -0.10 0.00 -1.72 0.00 0.00 179.24 177.94 1x4d h ALA 65 N -1.13 0.51 -0.94 3.45 0.00 -1.60 0.19 119.26 119.74 1x4d h ALA 65 Ca 0.00 0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1x4d h ALA 65 Cb 0.12 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1x4d h ALA 65 CO 0.00 -0.42 0.57 1.96 0.00 0.00 0.00 179.25 181.36 1x4d h GLN 66 N 0.04 0.89 -0.07 0.00 4.20 -1.39 -2.20 115.11 116.58 1x4d h GLN 66 Ca 0.32 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 1x4d h GLN 66 Cb 0.51 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1x4d h GLN 66 CO -0.61 0.59 -0.03 0.00 -0.67 0.00 0.00 178.83 178.10 1x4d h ALA 67 N 1.51 0.10 -1.06 3.87 0.00 -0.74 -3.03 119.26 119.91 1x4d h ALA 67 Ca 0.46 -0.24 0.28 0.00 0.00 0.00 0.00 54.91 55.42 1x4d h ALA 67 Cb 0.45 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1x4d h ALA 67 CO -0.26 -0.15 0.70 0.00 0.00 0.00 0.00 179.25 179.53 1x4d h ALA 68 N 0.62 2.40 -0.40 0.00 0.00 -0.36 0.27 119.26 121.80 1x4d h ALA 68 Ca 0.02 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1x4d h ALA 68 Cb 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1x4d h ALA 68 CO 0.01 -0.79 -0.33 0.28 0.00 0.00 0.00 179.25 178.43 1x4d h VAL 69 N 0.31 1.27 0.00 0.00 2.07 -1.33 -2.63 116.25 115.95 1x4d h VAL 69 Ca 0.58 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1x4d h VAL 69 Cb 1.63 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1x4d h VAL 69 CO -0.24 0.50 0.00 -0.67 0.02 0.00 0.00 177.57 177.18 1x4d n ASP 70 N -4.07 0.61 0.03 0.57 -0.08 0.94 -0.96 116.55 113.58 1x4d n ASP 70 Ca -0.01 0.72 0.12 0.00 -1.51 0.00 0.00 54.79 54.11 1x4d n ASP 70 Cb 0.51 -0.83 0.28 0.00 2.34 0.00 0.00 41.12 43.43 1x4d n ASP 70 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x4d n TYR 71 N -2.25 0.27 -0.01 -0.67 9.36 -0.99 -3.05 117.16 119.81 1x4d n TYR 71 Ca 0.00 0.08 0.01 0.00 3.32 0.00 0.00 57.90 61.30 1x4d n TYR 71 Cb 0.12 -0.48 -0.12 0.00 -0.63 0.00 0.00 39.34 38.22 1x4d n TYR 71 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1x4d n TYR 72 N -1.78 0.46 0.04 2.98 9.36 -0.14 -1.98 117.16 126.11 1x4d n TYR 72 Ca 0.05 0.15 -0.04 0.00 3.32 0.00 0.00 57.90 61.38 1x4d n TYR 72 Cb 0.38 -0.91 -0.09 0.00 -0.63 0.00 0.00 39.34 38.10 1x4d n TYR 72 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1x4d h THR 73 N 0.00 0.98 0.00 2.97 1.03 -1.61 -3.38 112.91 112.91 1x4d h THR 73 Ca -0.22 -2.61 -0.36 0.00 -0.01 0.00 0.00 66.41 63.21 1x4d h THR 73 Cb 1.59 2.43 -0.07 0.00 -1.07 0.00 0.00 68.15 71.02 1x4d h THR 73 CO 0.03 0.56 -2.36 0.35 -0.01 0.00 0.00 175.52 174.09 1x4d n THR 74 N -3.11 1.36 -4.79 0.00 -2.24 -1.17 -4.97 114.28 99.36 1x4d n THR 74 Ca -0.07 -0.74 -0.24 0.00 -2.27 0.00 0.00 64.05 60.72 1x4d n THR 74 Cb 0.91 -0.74 -0.15 0.00 -2.10 0.00 0.00 70.33 68.24 1x4d n THR 74 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x4d s THR 75 N -2.48 1.32 -0.05 4.28 2.01 -0.84 -5.08 115.64 114.80 1x4d s THR 75 Ca -0.17 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 1x4d s THR 75 Cb 0.07 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 1x4d s THR 75 CO 0.73 0.38 1.49 -2.16 -0.69 0.00 0.00 174.62 174.37 1x4d s PRO 76 N -0.31 4.23 -1.00 4.92 0.04 -1.26 -3.59 135.00 138.03 1x4d s PRO 76 Ca 0.05 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 1x4d s PRO 76 Cb -0.07 -3.78 0.15 0.00 0.04 0.00 0.00 34.50 30.84 1x4d s PRO 76 CO -0.00 -0.72 1.18 0.00 0.04 0.00 0.00 177.00 177.50 1x4d s ALA 77 N 3.30 3.63 -0.49 8.56 0.00 -1.26 -4.99 121.76 130.51 1x4d s ALA 77 Ca 0.66 -3.00 -0.26 0.00 0.00 0.00 0.00 51.96 49.36 1x4d s ALA 77 Cb -0.31 -4.02 0.03 0.00 0.00 0.00 0.00 23.12 18.83 1x4d s ALA 77 CO 0.26 -2.85 0.98 -0.51 0.00 0.00 0.00 175.76 173.64 1x4d s LEU 78 N 2.09 3.92 -0.24 0.00 1.43 -1.26 -2.37 118.68 122.26 1x4d s LEU 78 Ca 0.34 0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 1x4d s LEU 78 Cb -0.05 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 1x4d s LEU 78 CO -0.07 -1.16 0.35 -0.69 0.23 0.00 0.00 176.35 175.01 1x4d s VAL 79 N 4.01 5.21 0.00 -1.59 1.01 0.43 -4.09 120.40 125.38 1x4d s VAL 79 Ca 0.38 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1x4d s VAL 79 Cb -0.10 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1x4d s VAL 79 CO 0.26 0.22 0.00 0.49 0.00 0.00 0.00 175.10 176.07 1x4d n PHE 80 N 4.83 0.00 0.00 5.22 3.72 -1.26 -1.63 117.46 128.33 1x4d n PHE 80 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1x4d n PHE 80 Cb 0.51 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.90 1x4d n PHE 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4d n GLY 81 N -1.30 2.30 3.70 1.37 0.00 -1.26 -5.10 105.19 104.90 1x4d n GLY 81 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1x4d n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4d s LYS 82 N -0.10 2.57 0.58 1.61 0.00 -0.65 -4.96 119.74 118.79 1x4d s LYS 82 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 55.97 54.88 1x4d s LYS 82 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 37.83 35.28 1x4d s LYS 82 CO 0.00 0.51 1.12 -1.25 0.00 0.00 0.00 175.35 175.73 1x4d s PRO 83 N -2.61 3.17 0.08 1.78 0.04 -1.26 0.16 135.00 136.37 1x4d s PRO 83 Ca 0.27 1.54 0.02 0.00 0.04 0.00 0.00 61.00 62.86 1x4d s PRO 83 Cb -0.11 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1x4d s PRO 83 CO 0.19 -0.98 0.08 1.33 0.04 0.00 0.00 177.00 177.66 1x4d n VAL 84 N -1.67 0.00 -4.60 -0.36 0.24 -1.00 -4.77 118.33 106.17 1x4d n VAL 84 Ca 0.11 -0.59 -0.30 0.00 -2.04 0.00 0.00 64.34 61.52 1x4d n VAL 84 Cb 0.51 0.30 -0.13 0.00 -1.47 0.00 0.00 33.84 33.05 1x4d n VAL 84 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1x4d s ARG 85 N -2.32 1.72 -0.04 7.34 0.52 -0.64 -4.77 118.95 120.75 1x4d s ARG 85 Ca 0.10 -1.18 -0.01 0.00 -0.52 0.00 0.00 55.73 54.12 1x4d s ARG 85 Cb 0.00 -2.01 0.03 0.00 0.52 0.00 0.00 34.95 33.49 1x4d s ARG 85 CO 0.07 0.49 0.04 0.08 0.02 0.00 0.00 175.30 176.00 1x4d s VAL 86 N -0.96 0.00 0.28 3.52 1.01 -1.26 -2.62 120.40 120.37 1x4d s VAL 86 Ca 0.14 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1x4d s VAL 86 Cb -0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1x4d s VAL 86 CO 0.05 0.16 0.09 -1.00 0.00 0.00 0.00 175.10 174.40 1x4d s HIS 87 N 1.71 1.65 -0.79 5.22 3.76 -0.16 -4.96 115.29 121.72 1x4d s HIS 87 Ca -0.01 -1.13 0.02 0.00 -0.15 0.00 0.00 55.06 53.80 1x4d s HIS 87 Cb -0.13 -1.00 0.20 0.00 1.11 0.00 0.00 32.58 32.76 1x4d s HIS 87 CO -0.03 -0.25 0.64 -0.11 -0.85 0.00 0.00 174.74 174.14 1x4d n LEU 88 N -0.53 3.59 0.00 0.89 -0.00 -1.26 -1.09 117.00 118.61 1x4d n LEU 88 Ca -0.01 -5.19 0.00 0.00 -0.00 0.00 0.00 56.01 50.81 1x4d n LEU 88 Cb 0.66 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 1x4d n LEU 88 CO 0.39 1.69 0.00 -0.24 -0.00 0.00 0.00 177.39 179.23 1x4d n SER 89 N 2.03 -0.76 -3.60 1.96 2.88 0.83 -4.91 113.62 112.05 1x4d n SER 89 Ca 0.21 -0.60 -0.16 0.00 -1.33 0.00 0.00 58.87 56.99 1x4d n SER 89 Cb 0.36 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.75 1x4d n SER 89 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1x4d s GLN 90 N -2.94 0.92 0.61 -1.46 0.74 -1.26 -3.79 119.66 112.48 1x4d s GLN 90 Ca 0.00 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.66 1x4d s GLN 90 Cb 0.00 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.54 1x4d s GLN 90 CO 0.00 -0.26 0.00 1.17 -0.55 0.00 0.00 175.29 175.65 1x4d n LYS 91 N 1.28 -4.08 0.00 1.67 0.00 -1.26 -5.02 118.16 110.74 1x4d n LYS 91 Ca -0.19 3.20 0.00 0.00 0.00 0.00 0.00 58.31 61.32 1x4d n LYS 91 Cb 0.57 -4.09 0.00 0.00 0.00 0.00 0.00 35.03 31.51 1x4d n LYS 91 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1x4d n TYR 92 N -2.95 0.00 0.00 5.64 9.36 -1.26 -5.03 117.16 122.93 1x4d n TYR 92 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1x4d n TYR 92 Cb 0.53 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.24 1x4d n TYR 92 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1x4d n LYS 93 N 0.00 0.00 0.00 2.98 4.81 -1.26 -4.70 118.16 119.99 1x4d n LYS 93 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1x4d n LYS 93 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1x4d n LYS 93 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1x4d n ARG 94 N 0.00 -0.84 0.00 1.64 3.00 -1.26 -5.08 116.66 114.11 1x4d n ARG 94 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1x4d n ARG 94 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1x4d n ARG 94 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1x4d n ILE 95 N -0.07 0.00 -0.14 5.15 5.41 -1.26 -4.90 119.36 123.55 1x4d n ILE 95 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 1x4d n ILE 95 Cb 0.00 -0.06 -0.01 0.00 -0.71 0.00 0.00 39.64 38.86 1x4d n ILE 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1x4d h LYS 96 N 0.00 0.66 -3.09 0.38 3.64 -1.91 -3.43 116.57 112.81 1x4d h LYS 96 Ca 0.00 -0.15 -0.27 0.00 -1.27 0.00 0.00 60.65 58.96 1x4d h LYS 96 Cb 0.00 -0.09 -0.34 0.00 -0.41 0.00 0.00 32.23 31.39 1x4d h LYS 96 CO 0.00 0.67 -0.60 0.45 -2.27 0.00 0.00 179.45 177.69 1x4d s SER 97 N -6.00 0.44 0.15 4.20 0.15 -1.26 -5.16 113.70 106.22 1x4d s SER 97 Ca -0.13 0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1x4d s SER 97 Cb 0.10 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1x4d s SER 97 CO 0.77 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.60 1x4d n GLY 98 N 5.02 0.53 3.37 9.45 0.00 -1.26 -4.83 105.19 117.47 1x4d n GLY 98 Ca -0.11 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 1x4d n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4d n PRO 99 N -0.30 -3.06 -3.54 1.61 -0.04 -1.26 -5.10 135.00 123.30 1x4d n PRO 99 Ca 0.00 -1.68 -0.10 0.00 -0.04 0.00 0.00 63.50 61.68 1x4d n PRO 99 Cb 0.00 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 31.85 1x4d n PRO 99 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4d s SER 100 N -4.34 -0.38 -0.24 3.54 0.01 -1.26 -5.16 113.70 105.86 1x4d s SER 100 Ca 0.68 0.24 -0.06 0.00 1.31 0.00 0.00 55.95 58.13 1x4d s SER 100 Cb -0.07 0.35 0.12 0.00 0.21 0.00 0.00 66.02 66.63 1x4d s SER 100 CO 0.52 -0.47 0.48 -0.55 0.41 0.00 0.00 173.24 173.63 1x4d s SER 101 N -1.72 -0.49 0.00 2.44 0.15 -1.26 -5.36 113.70 107.46 1x4d s SER 101 Ca 0.01 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1x4d s SER 101 Cb -0.01 1.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.91 1x4d s SER 101 CO -0.03 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.78