#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4d n SER 2 N 0.00 -9.25 -4.05 1.61 7.64 -1.26 -4.97 113.62 103.34 1x4d n SER 2 Ca 0.00 1.45 -0.32 0.00 1.01 0.00 0.00 58.87 61.01 1x4d n SER 2 Cb 0.00 -5.24 -0.15 0.00 -1.01 0.00 0.00 64.21 57.81 1x4d n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4d s SER 3 N -0.54 4.52 0.00 6.43 0.15 -1.26 -5.08 113.70 117.92 1x4d s SER 3 Ca 0.00 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 55.03 1x4d s SER 3 Cb 0.00 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1x4d s SER 3 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1x4d n GLY 4 N 4.39 0.68 3.00 9.45 0.00 -1.26 -5.06 105.19 116.39 1x4d n GLY 4 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 1x4d n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4d s SER 5 N -1.00 -1.20 -0.35 1.61 0.15 -1.26 -4.94 113.70 106.70 1x4d s SER 5 Ca 0.00 -0.81 -0.05 0.00 0.70 0.00 0.00 55.95 55.79 1x4d s SER 5 Cb 0.00 1.55 0.19 0.00 -1.71 0.00 0.00 66.02 66.05 1x4d s SER 5 CO 0.00 -0.11 0.95 -0.94 1.20 0.00 0.00 173.24 174.34 1x4d s SER 6 N 1.63 -0.63 -0.33 5.45 1.04 -1.26 -5.04 113.70 114.56 1x4d s SER 6 Ca 0.19 -0.38 0.06 0.00 0.48 0.00 0.00 55.95 56.30 1x4d s SER 6 Cb -0.01 0.81 0.46 0.00 0.10 0.00 0.00 66.02 67.38 1x4d s SER 6 CO -0.08 -0.06 1.31 0.61 0.98 0.00 0.00 173.24 175.99 1x4d n GLY 7 N 3.70 6.24 3.55 7.32 0.00 -1.26 -5.06 105.19 119.69 1x4d n GLY 7 Ca 0.08 -2.52 -0.30 0.00 0.00 0.00 0.00 46.02 43.28 1x4d n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x4d s GLN 8 N -3.60 -1.32 -0.33 1.61 -1.52 -1.26 -4.57 119.66 108.67 1x4d s GLN 8 Ca 0.52 0.05 -0.17 0.00 -1.95 0.00 0.00 55.36 53.81 1x4d s GLN 8 Cb 0.42 -1.57 0.02 0.00 -0.22 0.00 0.00 33.01 31.66 1x4d s GLN 8 CO 0.03 -3.80 0.39 1.17 -0.25 0.00 0.00 175.29 172.83 1x4d n LYS 9 N -4.84 -2.08 -0.01 2.91 3.00 -1.26 -4.87 118.16 111.00 1x4d n LYS 9 Ca 0.12 1.80 0.00 0.00 -0.00 0.00 0.00 58.31 60.23 1x4d n LYS 9 Cb 0.59 -3.65 0.00 0.00 0.00 0.00 0.00 35.03 31.97 1x4d n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x4d n GLY 10 N 0.23 1.25 3.80 3.14 0.00 -1.26 -5.07 105.19 107.27 1x4d n GLY 10 Ca 0.01 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1x4d n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4d s ARG 11 N -3.06 2.33 -0.17 1.61 0.52 -1.26 -5.00 118.95 113.92 1x4d s ARG 11 Ca 0.00 0.85 -0.07 0.00 -0.52 0.00 0.00 55.73 55.99 1x4d s ARG 11 Cb 0.00 -1.93 0.07 0.00 0.52 0.00 0.00 34.95 33.61 1x4d s ARG 11 CO 0.00 -1.50 0.38 0.14 0.02 0.00 0.00 175.30 174.34 1x4d s VAL 12 N -3.05 -0.30 -0.41 3.52 -7.23 -1.26 -5.12 120.40 106.54 1x4d s VAL 12 Ca 0.60 0.15 -0.07 0.00 -1.81 0.00 0.00 61.98 60.85 1x4d s VAL 12 Cb -0.15 -0.59 0.09 0.00 0.56 0.00 0.00 36.38 36.29 1x4d s VAL 12 CO 0.55 0.06 0.23 -1.61 -0.31 0.00 0.00 175.10 174.02 1x4d s GLU 13 N 1.96 2.43 -0.09 4.82 2.02 -1.26 -5.06 118.70 123.52 1x4d s GLU 13 Ca -0.05 -1.56 -0.00 0.00 0.02 0.00 0.00 54.97 53.38 1x4d s GLU 13 Cb -0.10 -3.68 0.02 0.00 0.10 0.00 0.00 34.13 30.47 1x4d s GLU 13 CO -0.12 -0.97 -0.05 -0.08 0.02 0.00 0.00 175.26 174.06 1x4d s THR 14 N 1.33 0.77 0.00 3.63 -1.32 -1.26 -5.10 115.64 113.69 1x4d s THR 14 Ca 0.04 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1x4d s THR 14 Cb -0.23 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1x4d s THR 14 CO -0.00 0.32 0.00 -1.14 -2.21 0.00 0.00 174.62 171.59 1x4d n ARG 15 N 4.82 0.00 -3.37 7.08 0.63 -1.26 -4.67 116.66 119.89 1x4d n ARG 15 Ca -0.13 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.68 1x4d n ARG 15 Cb 0.50 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.33 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 0.00 0.33 -0.18 -0.14 3.00 -1.26 -4.21 118.95 116.49 1x4d s ARG 16 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 55.73 55.93 1x4d s ARG 16 Cb 0.00 -0.60 0.07 0.00 0.00 0.00 0.00 34.95 34.42 1x4d s ARG 16 CO 0.00 -0.81 0.12 0.08 0.00 0.00 0.00 175.30 174.69 1x4d s VAL 17 N 2.47 -0.15 -0.35 3.52 1.01 -1.26 -3.32 120.40 122.33 1x4d s VAL 17 Ca 0.10 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1x4d s VAL 17 Cb -0.14 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1x4d s VAL 17 CO -0.22 -0.27 0.24 0.54 0.00 0.00 0.00 175.10 175.39 1x4d s VAL 18 N 2.19 5.21 -0.05 2.92 0.11 -0.37 0.92 120.40 131.33 1x4d s VAL 18 Ca 0.03 -0.30 -0.24 0.00 -2.93 0.00 0.00 61.98 58.55 1x4d s VAL 18 Cb -0.16 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 1x4d s VAL 18 CO -0.10 -0.04 0.72 -2.28 -3.33 0.00 0.00 175.10 170.06 1x4d s HIS 19 N 1.70 3.60 -0.08 1.54 2.46 0.23 -2.26 115.29 122.48 1x4d s HIS 19 Ca 0.06 1.29 0.01 0.00 0.47 0.00 0.00 55.06 56.89 1x4d s HIS 19 Cb -0.18 -2.81 0.02 0.00 -0.13 0.00 0.00 32.58 29.48 1x4d s HIS 19 CO 0.10 0.11 -0.11 0.42 -2.47 0.00 0.00 174.74 172.79 1x4d s ILE 20 N 0.72 1.10 0.23 0.89 1.01 -0.89 -1.17 121.20 123.09 1x4d s ILE 20 Ca 0.38 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.64 1x4d s ILE 20 Cb -0.18 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 1x4d s ILE 20 CO 0.19 0.36 0.01 -0.04 0.00 0.00 0.00 174.94 175.46 1x4d s MET 21 N 0.96 1.34 0.00 2.79 -1.94 -1.09 -2.34 119.30 119.02 1x4d s MET 21 Ca -0.09 -1.69 0.00 0.00 -1.71 0.00 0.00 55.69 52.21 1x4d s MET 21 Cb -0.15 -0.55 0.00 0.00 2.01 0.00 0.00 34.83 36.14 1x4d s MET 21 CO 0.00 -0.13 0.00 -3.47 -0.01 0.00 0.00 175.02 171.41 1x4d n ASP 22 N -0.42 0.00 -4.71 3.03 2.03 -1.24 -1.91 116.55 113.33 1x4d n ASP 22 Ca -0.04 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.93 1x4d n ASP 22 Cb 0.64 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.16 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 -2.17 1.95 0.42 -0.67 -0.12 -1.26 -4.87 117.98 111.26 1x4d s PHE 23 Ca 0.00 1.65 0.07 0.00 -0.05 0.00 0.00 56.93 58.60 1x4d s PHE 23 Cb 0.00 -3.42 -0.05 0.00 -0.63 0.00 0.00 43.02 38.92 1x4d s PHE 23 CO 0.00 -2.63 0.14 -0.65 -0.05 0.00 0.00 175.22 172.03 1x4d s GLN 24 N -4.18 2.17 0.31 1.99 1.11 -1.26 -4.81 119.66 115.00 1x4d s GLN 24 Ca 0.72 -1.94 0.10 0.00 0.01 0.00 0.00 55.36 54.25 1x4d s GLN 24 Cb -0.27 -1.89 -0.05 0.00 -1.01 0.00 0.00 33.01 29.79 1x4d s GLN 24 CO 0.50 -0.14 -0.03 1.03 0.01 0.00 0.00 175.29 176.66 1x4d s ARG 25 N -3.88 2.05 0.00 2.91 0.52 -1.26 -4.91 118.95 114.37 1x4d s ARG 25 Ca 0.38 -1.69 0.00 0.00 -0.52 0.00 0.00 55.73 53.90 1x4d s ARG 25 Cb 0.05 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.57 1x4d s ARG 25 CO 0.21 0.22 0.00 0.41 0.02 0.00 0.00 175.30 176.15 1x4d n GLY 26 N -0.88 -1.50 1.45 -3.53 0.00 -1.26 -5.02 105.19 94.45 1x4d n GLY 26 Ca -0.05 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1x4d n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4d n LYS 27 N 0.00 0.00 -1.51 1.61 3.00 -1.26 -4.86 118.16 115.14 1x4d n LYS 27 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 1x4d n LYS 27 Cb 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 35.03 34.81 1x4d n LYS 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1x4d n ASN 28 N -3.44 7.31 0.29 3.14 3.02 -1.26 -4.73 115.26 119.59 1x4d n ASN 28 Ca 0.00 -3.79 -0.11 0.00 -0.03 0.00 0.00 54.58 50.65 1x4d n ASN 28 Cb 0.02 -0.91 -0.05 0.00 -0.61 0.00 0.00 39.78 38.23 1x4d n ASN 28 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1x4d h LEU 29 N 2.16 -0.62 -1.16 3.41 7.12 -1.91 -2.20 115.31 122.10 1x4d h LEU 29 Ca 0.57 0.02 0.39 0.00 0.13 0.00 0.00 57.88 58.99 1x4d h LEU 29 Cb 0.80 0.16 -0.10 0.00 -0.53 0.00 0.00 40.66 40.99 1x4d h LEU 29 CO 1.47 -0.42 0.77 -1.14 -0.13 0.00 0.00 178.44 178.98 1x4d n ARG 30 N -4.11 -0.02 -0.01 1.25 0.63 -1.26 0.23 116.66 113.36 1x4d n ARG 30 Ca -0.09 0.96 -0.16 0.00 -0.92 0.00 0.00 57.85 57.63 1x4d n ARG 30 Cb 0.29 -1.94 -0.11 0.00 0.45 0.00 0.00 32.46 31.16 1x4d n ARG 30 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1x4d h TYR 31 N 0.00 0.46 -0.22 -0.14 3.20 -1.87 -2.74 116.97 115.66 1x4d h TYR 31 Ca 0.70 -0.24 0.06 0.00 3.14 0.00 0.00 58.73 62.39 1x4d h TYR 31 Cb 2.36 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 40.50 1x4d h TYR 31 CO -0.00 1.04 -0.24 1.96 -1.64 0.00 0.00 178.16 179.27 1x4d h GLN 32 N -0.26 -0.25 0.17 1.82 1.08 0.35 0.57 115.11 118.59 1x4d h GLN 32 Ca -0.05 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1x4d h GLN 32 Cb 1.15 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1x4d h GLN 32 CO 0.08 -0.17 -0.08 -0.07 -0.95 0.00 0.00 178.83 177.64 1x4d h LEU 33 N -0.26 -0.19 -2.02 1.46 3.38 -1.50 -2.25 115.31 113.92 1x4d h LEU 33 Ca 0.13 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1x4d h LEU 33 Cb 0.46 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1x4d h LEU 33 CO -0.37 -0.14 0.04 -0.07 0.09 0.00 0.00 178.44 177.99 1x4d h LEU 34 N -0.23 0.00 -0.44 1.67 3.38 -1.13 0.42 115.31 118.98 1x4d h LEU 34 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1x4d h LEU 34 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1x4d h LEU 34 CO 0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1x4d n GLN 35 N -4.49 0.07 0.07 1.13 1.13 0.20 0.18 117.38 115.67 1x4d n GLN 35 Ca -0.02 0.44 0.12 0.00 -1.94 0.00 0.00 57.00 55.60 1x4d n GLN 35 Cb 0.14 -1.67 0.16 0.00 0.11 0.00 0.00 30.24 28.98 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 -0.20 1.08 3.38 -0.88 -3.37 115.31 115.33 1x4d h LEU 36 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1x4d h LEU 36 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1x4d h LEU 36 CO 0.00 0.08 0.00 1.33 0.09 0.00 0.00 178.44 179.94 1x4d n VAL 37 N -2.23 0.00 0.48 1.22 0.24 -0.26 -4.70 118.33 113.08 1x4d n VAL 37 Ca 0.03 -0.27 -0.19 0.00 -2.04 0.00 0.00 64.34 61.87 1x4d n VAL 37 Cb 0.46 1.17 -0.09 0.00 -1.47 0.00 0.00 33.84 33.90 1x4d n VAL 37 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1x4d h GLU 38 N 0.00 -1.17 0.00 7.34 4.39 0.17 -1.55 114.58 123.76 1x4d h GLU 38 Ca 0.00 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1x4d h GLU 38 Cb 0.08 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1x4d h GLU 38 CO 0.00 -0.78 0.00 -0.35 -1.16 0.00 0.00 179.01 176.72 1x4d n PRO 39 N -5.36 0.49 -0.04 2.33 -0.04 -1.26 -2.10 135.00 129.02 1x4d n PRO 39 Ca -0.15 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.33 1x4d n PRO 39 Cb 0.48 -1.40 -0.14 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 -2.80 0.54 3.72 -0.98 -5.09 117.46 111.95 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 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 37.98 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 1.65 0.94 3.89 1.37 0.00 -0.62 -4.52 105.19 107.90 1x4d n GLY 41 Ca -0.14 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.98 5.43 -0.44 1.61 0.11 -1.26 -4.54 120.40 119.33 1x4d s VAL 42 Ca 0.00 0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 58.86 1x4d s VAL 42 Cb 0.00 -3.50 0.02 0.00 -1.53 0.00 0.00 36.38 31.38 1x4d s VAL 42 CO 0.00 0.45 0.92 -0.63 -3.33 0.00 0.00 175.10 172.51 1x4d s ILE 43 N -1.20 4.49 -0.18 7.04 -1.09 -1.26 -2.64 121.20 126.35 1x4d s ILE 43 Ca 0.23 0.83 -0.22 0.00 -2.23 0.00 0.00 60.65 59.26 1x4d s ILE 43 Cb -0.13 -4.41 -0.19 0.00 -1.58 0.00 0.00 42.46 36.15 1x4d s ILE 43 CO 0.13 -0.78 0.32 0.28 -1.23 0.00 0.00 174.94 173.66 1x4d h SER 44 N 8.97 0.00 -2.31 3.58 0.02 -1.58 -3.47 113.55 118.75 1x4d h SER 44 Ca -0.24 -0.58 0.11 0.00 -0.84 0.00 0.00 61.79 60.24 1x4d h SER 44 Cb 1.08 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.36 1x4d h SER 44 CO 1.02 1.28 0.29 0.20 -1.14 0.00 0.00 176.83 178.47 1x4d s ASN 45 N -6.56 -0.61 0.22 3.07 0.01 -0.88 -5.02 114.94 105.18 1x4d s ASN 45 Ca -0.24 0.93 0.10 0.00 -0.71 0.00 0.00 52.86 52.94 1x4d s ASN 45 Cb 0.03 1.36 -0.04 0.00 0.41 0.00 0.00 41.25 43.00 1x4d s ASN 45 CO 0.57 -0.14 -0.09 -1.38 -1.51 0.00 0.00 177.10 174.55 1x4d s HIS 46 N 1.64 2.58 -0.03 2.20 -3.43 -1.26 0.53 115.29 117.52 1x4d s HIS 46 Ca -0.08 -0.25 -0.01 0.00 -0.80 0.00 0.00 55.06 53.93 1x4d s HIS 46 Cb -0.05 -1.20 0.03 0.00 -1.43 0.00 0.00 32.58 29.93 1x4d s HIS 46 CO -0.16 0.58 0.06 -1.17 -2.00 0.00 0.00 174.74 172.05 1x4d s LEU 47 N -3.19 0.86 -0.26 5.38 0.20 -0.30 -4.73 118.68 116.64 1x4d s LEU 47 Ca 0.27 0.11 -0.01 0.00 0.69 0.00 0.00 54.13 55.19 1x4d s LEU 47 Cb -0.07 0.02 0.08 0.00 -0.43 0.00 0.00 46.19 45.79 1x4d s LEU 47 CO 0.16 -0.15 0.06 -0.63 -0.29 0.00 0.00 176.35 175.50 1x4d s ILE 48 N 1.26 0.82 0.50 6.68 1.01 -1.26 -1.15 121.20 129.05 1x4d s ILE 48 Ca -0.07 -1.05 -0.23 0.00 0.00 0.00 0.00 60.65 59.30 1x4d s ILE 48 Cb -0.13 -1.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.85 1x4d s ILE 48 CO -0.04 -0.43 1.29 -0.76 0.00 0.00 0.00 174.94 175.00 1x4d s LEU 49 N 1.69 3.94 -0.48 2.97 1.43 -1.20 -4.93 118.68 122.10 1x4d s LEU 49 Ca 0.04 2.60 0.03 0.00 -1.03 0.00 0.00 54.13 55.77 1x4d s LEU 49 Cb -0.17 -4.22 0.59 0.00 0.03 0.00 0.00 46.19 42.41 1x4d s LEU 49 CO -0.16 -1.28 1.86 0.59 0.23 0.00 0.00 176.35 177.59 1x4d n ASN 50 N -0.73 4.58 0.00 2.29 3.02 -1.26 -4.32 115.26 118.84 1x4d n ASN 50 Ca 0.09 -3.69 0.00 0.00 -0.03 0.00 0.00 54.58 50.95 1x4d n ASN 50 Cb 0.46 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 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 -1.08 0.06 -2.37 3.52 4.76 -1.26 -5.12 118.16 116.67 1x4d n LYS 51 Ca 0.57 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.97 1x4d n LYS 51 Cb 1.32 -0.96 -0.01 0.00 -1.84 0.00 0.00 35.03 33.53 1x4d n LYS 51 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1x4d n ILE 52 N -2.41 0.00 -1.73 -0.18 -0.00 -1.26 -5.05 119.36 108.73 1x4d n ILE 52 Ca 0.00 -0.40 -0.34 0.00 -0.00 0.00 0.00 62.75 62.01 1x4d n ILE 52 Cb 0.46 0.19 -0.01 0.00 -0.00 0.00 0.00 39.64 40.29 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 -2.70 7.03 -4.12 7.28 3.02 -1.26 -4.75 115.26 119.76 1x4d n ASN 53 Ca 0.01 -3.52 -0.32 0.00 -0.03 0.00 0.00 54.58 50.72 1x4d n ASN 53 Cb 0.10 -1.16 -0.16 0.00 -0.61 0.00 0.00 39.78 37.95 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 -2.89 2.81 0.11 3.52 2.02 -1.26 -3.60 118.70 119.40 1x4d s GLU 54 Ca 0.55 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.80 1x4d s GLU 54 Cb 0.40 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 1x4d s GLU 54 CO -0.31 -0.09 -0.08 0.00 0.02 0.00 0.00 175.26 174.80 1x4d s ALA 55 N 1.02 1.14 -0.13 5.21 0.00 -0.99 -3.23 121.76 124.78 1x4d s ALA 55 Ca -0.03 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.50 1x4d s ALA 55 Cb -0.15 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.15 1x4d s ALA 55 CO -0.05 -0.18 0.19 -0.06 0.00 0.00 0.00 175.76 175.66 1x4d s PHE 56 N -3.47 -0.22 -0.13 0.00 0.08 -0.30 -2.10 117.98 111.83 1x4d s PHE 56 Ca 0.13 0.49 -0.06 0.00 0.12 0.00 0.00 56.93 57.61 1x4d s PHE 56 Cb 0.04 -0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.17 1x4d s PHE 56 CO -0.03 -0.40 0.09 0.42 -0.10 0.00 0.00 175.22 175.20 1x4d s ILE 57 N 2.31 5.06 -0.26 0.64 1.01 -0.96 -1.15 121.20 127.85 1x4d s ILE 57 Ca 0.04 0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 1x4d s ILE 57 Cb -0.13 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 1x4d s ILE 57 CO -0.08 0.56 0.04 -0.70 0.00 0.00 0.00 174.94 174.76 1x4d s GLU 58 N -0.54 3.30 0.35 2.79 2.12 0.19 -1.23 118.70 125.68 1x4d s GLU 58 Ca 0.11 -0.70 -0.06 0.00 0.36 0.00 0.00 54.97 54.68 1x4d s GLU 58 Cb -0.12 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 1x4d s GLU 58 CO 0.02 -0.32 0.65 -1.64 -0.54 0.00 0.00 175.26 173.43 1x4d s MET 59 N 1.52 3.65 0.40 4.30 -1.94 -1.21 -1.56 119.30 124.45 1x4d s MET 59 Ca 0.04 0.14 0.11 0.00 -1.71 0.00 0.00 55.69 54.27 1x4d s MET 59 Cb -0.16 -2.54 0.82 0.00 2.01 0.00 0.00 34.83 34.97 1x4d s MET 59 CO 0.01 0.08 1.92 0.00 -0.01 0.00 0.00 175.02 177.02 1x4d h ALA 60 N 1.27 1.54 -3.52 3.03 0.00 -1.86 -3.42 119.26 116.30 1x4d h ALA 60 Ca -0.48 -0.21 -0.36 0.00 0.00 0.00 0.00 54.91 53.87 1x4d h ALA 60 Cb 1.19 -0.07 -0.33 0.00 0.00 0.00 0.00 17.79 18.58 1x4d h ALA 60 CO 0.64 0.33 -0.75 0.95 0.00 0.00 0.00 179.25 180.42 1x4d s THR 61 N -4.68 0.31 0.60 0.00 -4.23 -1.26 -5.01 115.64 101.37 1x4d s THR 61 Ca -0.05 -0.01 0.28 0.00 -1.18 0.00 0.00 61.69 60.73 1x4d s THR 61 Cb 0.15 -0.36 0.38 0.00 1.34 0.00 0.00 72.50 74.01 1x4d s THR 61 CO 0.72 0.16 1.74 0.00 -0.54 0.00 0.00 174.62 176.71 1x4d h THR 62 N 6.10 0.24 -0.53 3.99 1.03 -1.82 0.34 112.91 122.26 1x4d h THR 62 Ca -0.40 0.00 0.05 0.00 -0.01 0.00 0.00 66.41 66.04 1x4d h THR 62 Cb 1.15 0.46 -0.03 0.00 -1.07 0.00 0.00 68.15 68.65 1x4d h THR 62 CO 0.48 0.00 0.35 -0.33 -0.01 0.00 0.00 175.52 176.01 1x4d h GLU 63 N 0.00 0.53 0.02 0.00 5.08 -1.95 -1.42 114.58 116.84 1x4d h GLU 63 Ca 0.27 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1x4d h GLU 63 Cb 1.60 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1x4d h GLU 63 CO -0.00 0.35 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.91 1x4d h ASP 64 N 0.54 -0.02 -0.99 1.42 3.32 -0.55 -2.75 116.42 117.40 1x4d h ASP 64 Ca 0.22 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.46 1x4d h ASP 64 Cb 0.20 0.01 -0.18 0.00 0.22 0.00 0.00 39.33 39.57 1x4d h ASP 64 CO -0.06 0.01 -0.26 0.00 -1.72 0.00 0.00 179.24 177.20 1x4d h ALA 65 N -1.94 0.59 -1.01 3.45 0.00 -1.60 0.99 119.26 119.74 1x4d h ALA 65 Ca -0.00 0.37 0.05 0.00 0.00 0.00 0.00 54.91 55.33 1x4d h ALA 65 Cb 0.02 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1x4d h ALA 65 CO 0.00 -0.41 0.65 1.96 0.00 0.00 0.00 179.25 181.46 1x4d h GLN 66 N -0.00 1.19 -0.34 0.00 4.20 -1.39 -2.34 115.11 116.43 1x4d h GLN 66 Ca 0.46 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 59.05 1x4d h GLN 66 Cb 0.70 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1x4d h GLN 66 CO -1.01 0.79 0.05 0.00 -0.67 0.00 0.00 178.83 177.99 1x4d h ALA 67 N 1.43 0.45 -0.79 3.87 0.00 0.12 -2.66 119.26 121.69 1x4d h ALA 67 Ca 0.42 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.33 1x4d h ALA 67 Cb 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1x4d h ALA 67 CO -0.15 0.15 0.55 0.00 0.00 0.00 0.00 179.25 179.80 1x4d h ALA 68 N 0.90 2.49 0.02 0.00 0.00 -0.44 0.20 119.26 122.42 1x4d h ALA 68 Ca 0.10 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1x4d h ALA 68 Cb 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1x4d h ALA 68 CO 0.01 -0.72 -0.95 0.28 0.00 0.00 0.00 179.25 177.87 1x4d h VAL 69 N 0.17 1.57 0.00 0.00 2.07 -1.26 -3.10 116.25 115.70 1x4d h VAL 69 Ca 0.39 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1x4d h VAL 69 Cb 1.27 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 1x4d h VAL 69 CO -0.07 0.85 0.00 -0.67 0.02 0.00 0.00 177.57 177.70 1x4d n ASP 70 N -3.54 0.35 0.06 0.57 -0.08 0.65 -2.16 116.55 112.40 1x4d n ASP 70 Ca -0.03 0.58 0.12 0.00 -1.51 0.00 0.00 54.79 53.94 1x4d n ASP 70 Cb 0.87 -0.65 0.11 0.00 2.34 0.00 0.00 41.12 43.79 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 -1.88 0.52 0.12 -0.67 4.19 -0.92 -3.68 117.16 114.85 1x4d n TYR 71 Ca 0.03 0.15 0.10 0.00 3.31 0.00 0.00 57.90 61.50 1x4d n TYR 71 Cb 0.24 -0.63 0.03 0.00 0.49 0.00 0.00 39.34 39.46 1x4d n TYR 71 CO 0.00 0.00 0.00 -0.92 0.91 0.00 0.00 176.86 176.85 1x4d h TYR 72 N 0.00 0.00 0.06 2.98 3.20 -1.51 -1.81 116.97 119.89 1x4d h TYR 72 Ca 0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 1x4d h TYR 72 Cb 0.77 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1x4d h TYR 72 CO 0.00 0.07 -1.37 0.00 -1.64 0.00 0.00 178.16 175.22 1x4d h THR 73 N 0.00 1.31 0.05 1.81 1.03 -1.65 -3.37 112.91 112.08 1x4d h THR 73 Ca -0.01 -3.00 -0.34 0.00 -0.01 0.00 0.00 66.41 63.04 1x4d h THR 73 Cb 1.06 2.74 -0.04 0.00 -1.07 0.00 0.00 68.15 70.84 1x4d h THR 73 CO 0.01 0.82 -2.00 0.35 -0.01 0.00 0.00 175.52 174.68 1x4d n THR 74 N -3.35 1.63 -4.55 0.00 -2.24 -1.24 -4.93 114.28 99.59 1x4d n THR 74 Ca -0.11 -0.73 -0.21 0.00 -2.27 0.00 0.00 64.05 60.74 1x4d n THR 74 Cb 1.01 -1.26 -0.15 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.56 0.98 -0.06 4.28 2.01 -0.68 -5.12 115.64 114.49 1x4d s THR 75 Ca -0.16 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 1x4d s THR 75 Cb 0.07 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 1x4d s THR 75 CO 0.78 0.28 1.50 -2.16 -0.69 0.00 0.00 174.62 174.33 1x4d s PRO 76 N -0.20 4.22 -1.04 4.92 0.04 -1.26 -3.72 135.00 137.95 1x4d s PRO 76 Ca 0.03 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 1x4d s PRO 76 Cb -0.06 -3.82 0.13 0.00 0.04 0.00 0.00 34.50 30.80 1x4d s PRO 76 CO -0.00 -0.74 1.29 0.00 0.04 0.00 0.00 177.00 177.58 1x4d s ALA 77 N 3.45 3.48 -0.45 8.56 0.00 -1.26 -4.98 121.76 130.55 1x4d s ALA 77 Ca 0.67 -2.90 -0.26 0.00 0.00 0.00 0.00 51.96 49.47 1x4d s ALA 77 Cb -0.30 -4.16 0.03 0.00 0.00 0.00 0.00 23.12 18.69 1x4d s ALA 77 CO 0.25 -3.01 0.97 -0.51 0.00 0.00 0.00 175.76 173.47 1x4d s LEU 78 N 2.69 3.92 -0.26 0.00 1.43 -1.26 -2.62 118.68 122.59 1x4d s LEU 78 Ca 0.38 0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.60 1x4d s LEU 78 Cb -0.03 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 1x4d s LEU 78 CO -0.06 -1.07 0.33 -0.69 0.23 0.00 0.00 176.35 175.09 1x4d s VAL 79 N 3.88 5.22 0.00 -1.59 1.01 0.36 -4.12 120.40 125.15 1x4d s VAL 79 Ca 0.40 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1x4d s VAL 79 Cb -0.10 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1x4d s VAL 79 CO 0.27 0.21 0.00 0.49 0.00 0.00 0.00 175.10 176.06 1x4d n PHE 80 N 5.05 0.00 0.00 5.22 3.72 -1.26 -1.77 117.46 128.42 1x4d n PHE 80 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1x4d n PHE 80 Cb 0.51 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 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 -1.38 1.94 3.67 1.37 0.00 -1.26 -5.10 105.19 104.43 1x4d n GLY 81 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.01 2.59 0.56 1.61 0.00 -0.73 -4.96 119.74 118.82 1x4d s LYS 82 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 55.97 55.01 1x4d s LYS 82 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 37.83 35.22 1x4d s LYS 82 CO 0.00 0.57 1.12 -1.25 0.00 0.00 0.00 175.35 175.79 1x4d s PRO 83 N -1.99 3.25 0.34 1.78 0.04 -1.26 0.14 135.00 137.30 1x4d s PRO 83 Ca 0.23 1.57 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1x4d s PRO 83 Cb -0.12 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1x4d s PRO 83 CO 0.15 -0.92 0.30 0.14 0.04 0.00 0.00 177.00 176.71 1x4d s VAL 84 N -1.88 0.00 -0.10 -0.36 -7.23 -1.08 -4.79 120.40 104.96 1x4d s VAL 84 Ca 0.72 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1x4d s VAL 84 Cb -0.23 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1x4d s VAL 84 CO 0.30 0.00 0.01 -0.13 -0.31 0.00 0.00 175.10 174.96 1x4d s ARG 85 N -3.36 3.12 -0.27 4.82 0.52 -0.80 -4.77 118.95 118.21 1x4d s ARG 85 Ca 0.40 -0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 55.20 1x4d s ARG 85 Cb 0.02 -2.85 0.08 0.00 0.52 0.00 0.00 34.95 32.72 1x4d s ARG 85 CO 0.29 0.64 0.06 0.08 0.02 0.00 0.00 175.30 176.39 1x4d s VAL 86 N -0.70 0.84 0.43 3.52 1.01 -1.26 -2.67 120.40 121.57 1x4d s VAL 86 Ca 0.11 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 61.02 1x4d s VAL 86 Cb -0.12 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 1x4d s VAL 86 CO 0.02 -0.47 0.04 -1.00 0.00 0.00 0.00 175.10 173.69 1x4d s HIS 87 N 1.66 2.40 -0.81 5.22 3.76 -0.32 -4.76 115.29 122.45 1x4d s HIS 87 Ca 0.05 -0.71 -0.03 0.00 -0.15 0.00 0.00 55.06 54.21 1x4d s HIS 87 Cb -0.17 -1.78 0.20 0.00 1.11 0.00 0.00 32.58 31.94 1x4d s HIS 87 CO -0.18 0.36 0.68 -1.17 -0.85 0.00 0.00 174.74 173.58 1x4d s LEU 88 N -3.78 5.56 1.10 0.89 1.98 -1.26 -0.60 118.68 122.57 1x4d s LEU 88 Ca 0.31 -3.37 -0.18 0.00 -2.89 0.00 0.00 54.13 48.00 1x4d s LEU 88 Cb 0.07 -1.92 0.10 0.00 0.66 0.00 0.00 46.19 45.10 1x4d s LEU 88 CO 0.16 -0.27 0.07 -0.24 -1.89 0.00 0.00 176.35 174.18 1x4d n SER 89 N 2.82 -2.33 -4.03 3.68 2.88 0.26 -4.90 113.62 112.01 1x4d n SER 89 Ca 0.17 -0.06 -0.23 0.00 -1.33 0.00 0.00 58.87 57.42 1x4d n SER 89 Cb 0.38 -0.99 -0.16 0.00 -0.75 0.00 0.00 64.21 62.69 1x4d n SER 89 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1x4d s GLN 90 N -3.48 1.35 0.34 -1.46 -0.21 -1.26 -4.24 119.66 110.70 1x4d s GLN 90 Ca 0.56 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.55 1x4d s GLN 90 Cb -0.13 -1.19 0.00 0.00 1.00 0.00 0.00 33.01 32.69 1x4d s GLN 90 CO 0.66 0.11 0.00 1.17 -2.12 0.00 0.00 175.29 175.11 1x4d n LYS 91 N 3.44 -4.97 -3.65 2.91 0.00 -1.26 -5.05 118.16 109.58 1x4d n LYS 91 Ca -0.20 3.58 -0.01 0.00 0.00 0.00 0.00 58.31 61.68 1x4d n LYS 91 Cb 0.53 -3.93 -0.04 0.00 0.00 0.00 0.00 35.03 31.59 1x4d n LYS 91 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1x4d s TYR 92 N -1.76 -0.01 0.31 5.64 5.04 -1.26 -5.06 117.35 120.24 1x4d s TYR 92 Ca 0.00 0.01 -0.10 0.00 -2.44 0.00 0.00 57.07 54.55 1x4d s TYR 92 Cb 0.00 0.50 0.04 0.00 0.35 0.00 0.00 41.96 42.85 1x4d s TYR 92 CO 0.00 -0.01 0.57 1.63 -1.34 0.00 0.00 175.55 176.41 1x4d n LYS 93 N 0.52 0.83 -2.90 4.97 5.02 -1.26 -5.04 118.16 120.30 1x4d n LYS 93 Ca 0.01 -1.86 -0.01 0.00 -2.02 0.00 0.00 58.31 54.43 1x4d n LYS 93 Cb 0.59 2.18 0.00 0.00 -0.02 0.00 0.00 35.03 37.78 1x4d n LYS 93 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1x4d n ARG 94 N -0.43 -1.34 0.00 1.97 5.12 -1.26 -5.00 116.66 115.72 1x4d n ARG 94 Ca -0.05 1.49 0.00 0.00 -1.93 0.00 0.00 57.85 57.36 1x4d n ARG 94 Cb 0.47 -5.40 0.00 0.00 -1.16 0.00 0.00 32.46 26.37 1x4d n ARG 94 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1x4d n ILE 95 N -1.52 0.00 -3.15 0.55 5.41 -1.26 -5.07 119.36 114.32 1x4d n ILE 95 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.82 1x4d n ILE 95 Cb 0.49 -1.37 -0.01 0.00 -0.71 0.00 0.00 39.64 38.05 1x4d n ILE 95 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1x4d s LYS 96 N -2.00 0.07 0.12 0.38 2.20 -1.26 -4.83 119.74 114.41 1x4d s LYS 96 Ca 0.00 0.08 -0.07 0.00 -0.36 0.00 0.00 55.97 55.63 1x4d s LYS 96 Cb 0.00 0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.35 1x4d s LYS 96 CO 0.00 -0.11 0.18 -1.54 -0.36 0.00 0.00 175.35 173.51 1x4d s SER 97 N 2.98 0.17 0.84 1.43 1.04 -1.26 -5.01 113.70 113.89 1x4d s SER 97 Ca 0.19 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1x4d s SER 97 Cb -0.03 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1x4d s SER 97 CO -0.18 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1x4d n GLY 98 N -0.10 0.90 0.00 7.32 0.00 -1.26 -2.40 105.19 109.65 1x4d n GLY 98 Ca -0.11 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.49 -2.29 1.61 -0.04 -1.26 -4.89 135.00 128.62 1x4d n PRO 99 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1x4d n PRO 99 Cb 0.00 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1x4d n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4d n SER 100 N -0.87 -5.66 -3.92 3.54 2.88 -1.01 -5.05 113.62 103.54 1x4d n SER 100 Ca 0.09 0.52 -0.29 0.00 -1.33 0.00 0.00 58.87 57.86 1x4d n SER 100 Cb 0.04 -3.68 -0.16 0.00 -0.75 0.00 0.00 64.21 59.66 1x4d n SER 100 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4d s SER 101 N -1.64 3.04 0.00 -3.46 0.15 -1.26 -5.11 113.70 105.41 1x4d s SER 101 Ca 0.10 -0.75 0.01 0.00 0.70 0.00 0.00 55.95 56.01 1x4d s SER 101 Cb -0.03 -1.00 0.01 0.00 -1.71 0.00 0.00 66.02 63.29 1x4d s SER 101 CO 0.47 -0.18 0.53 0.61 1.20 0.00 0.00 173.24 175.87