#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 1.89 -4.17 1.61 2.88 -1.26 -5.04 113.62 109.53 1x4d n SER 2 Ca 0.00 0.41 -0.11 0.00 -1.33 0.00 0.00 58.87 57.84 1x4d n SER 2 Cb 0.00 -0.89 -0.10 0.00 -0.75 0.00 0.00 64.21 62.47 1x4d n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4d s SER 3 N -6.93 0.20 0.00 -3.46 0.01 -1.26 -5.13 113.70 97.13 1x4d s SER 3 Ca -0.31 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.65 1x4d s SER 3 Cb 0.09 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1x4d s SER 3 CO 0.51 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1x4d n GLY 4 N -0.21 0.74 3.62 3.44 0.00 -1.26 -4.80 105.19 106.72 1x4d n GLY 4 Ca -0.01 0.27 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 1x4d n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4d s SER 5 N 0.00 -0.70 -0.28 1.61 1.04 -1.26 -5.17 113.70 108.94 1x4d s SER 5 Ca 0.00 1.08 -0.27 0.00 0.48 0.00 0.00 55.95 57.24 1x4d s SER 5 Cb 0.00 1.40 0.18 0.00 0.10 0.00 0.00 66.02 67.70 1x4d s SER 5 CO 0.00 -0.17 1.34 -0.55 0.98 0.00 0.00 173.24 174.84 1x4d s SER 6 N 1.68 -0.11 0.21 7.02 0.15 -1.26 -5.18 113.70 116.20 1x4d s SER 6 Ca -0.08 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1x4d s SER 6 Cb -0.05 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1x4d s SER 6 CO -0.17 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1x4d n GLY 7 N 1.22 0.69 2.63 9.45 0.00 -1.26 -5.10 105.19 112.82 1x4d n GLY 7 Ca -0.07 -1.90 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 1x4d n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x4d s GLN 8 N -0.34 0.29 -0.28 1.61 0.74 -1.26 -5.12 119.66 115.30 1x4d s GLN 8 Ca 0.00 -0.47 -0.09 0.00 0.05 0.00 0.00 55.36 54.86 1x4d s GLN 8 Cb 0.00 -0.96 -0.02 0.00 1.10 0.00 0.00 33.01 33.13 1x4d s GLN 8 CO 0.00 -1.05 0.13 0.15 -0.55 0.00 0.00 175.29 173.97 1x4d s LYS 9 N 2.08 3.53 3.55 1.67 3.01 -1.26 -5.01 119.74 127.32 1x4d s LYS 9 Ca 0.10 -0.58 0.00 0.00 -1.01 0.00 0.00 55.97 54.48 1x4d s LYS 9 Cb -0.16 -3.49 0.00 0.00 -1.01 0.00 0.00 37.83 33.18 1x4d s LYS 9 CO -0.31 -0.30 0.00 0.41 0.51 0.00 0.00 175.35 175.66 1x4d n GLY 10 N 4.97 2.05 3.03 -3.33 0.00 -1.26 -4.78 105.19 105.87 1x4d n GLY 10 Ca -0.15 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.45 -0.05 1.61 3.00 -1.26 -5.15 118.95 117.55 1x4d s ARG 11 Ca 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 55.73 54.93 1x4d s ARG 11 Cb 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 34.95 34.97 1x4d s ARG 11 CO 0.00 -0.03 0.02 0.14 0.00 0.00 0.00 175.30 175.44 1x4d s VAL 12 N -1.95 0.15 -0.99 3.52 -7.23 -1.26 -5.09 120.40 107.55 1x4d s VAL 12 Ca -0.09 0.24 -0.10 0.00 -1.81 0.00 0.00 61.98 60.21 1x4d s VAL 12 Cb -0.06 -0.34 0.25 0.00 0.56 0.00 0.00 36.38 36.79 1x4d s VAL 12 CO -0.02 0.21 0.96 -1.61 -0.31 0.00 0.00 175.10 174.33 1x4d s GLU 13 N 1.88 3.92 -0.09 4.82 2.02 -1.26 -4.99 118.70 125.00 1x4d s GLU 13 Ca 0.02 -2.94 -0.00 0.00 0.02 0.00 0.00 54.97 52.07 1x4d s GLU 13 Cb -0.12 -4.47 0.02 0.00 0.10 0.00 0.00 34.13 29.66 1x4d s GLU 13 CO -0.04 -1.26 -0.05 -0.08 0.02 0.00 0.00 175.26 173.85 1x4d s THR 14 N -0.73 0.79 0.00 3.63 -1.32 -1.26 -5.10 115.64 111.64 1x4d s THR 14 Ca 0.26 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1x4d s THR 14 Cb -0.10 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 1x4d s THR 14 CO -0.08 0.32 0.00 -2.11 -2.21 0.00 0.00 174.62 170.53 1x4d n ARG 15 N 4.81 0.00 -3.39 7.08 0.00 -1.26 -4.62 116.66 119.29 1x4d n ARG 15 Ca -0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.59 1x4d n ARG 15 Cb 0.50 0.00 -0.09 0.00 -0.00 0.00 0.00 32.46 32.87 1x4d n ARG 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1x4d s ARG 16 N 0.00 0.32 -0.25 2.89 3.00 -1.26 -4.23 118.95 119.42 1x4d s ARG 16 Ca 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 55.73 55.90 1x4d s ARG 16 Cb 0.00 -0.66 0.09 0.00 0.00 0.00 0.00 34.95 34.38 1x4d s ARG 16 CO 0.00 -0.82 0.14 0.08 0.00 0.00 0.00 175.30 174.71 1x4d s VAL 17 N 2.45 -0.13 -0.52 3.52 1.01 -1.25 -3.44 120.40 122.04 1x4d s VAL 17 Ca 0.10 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1x4d s VAL 17 Cb -0.15 -0.84 0.09 0.00 0.00 0.00 0.00 36.38 35.48 1x4d s VAL 17 CO -0.22 -0.53 0.54 0.54 0.00 0.00 0.00 175.10 175.43 1x4d s VAL 18 N 2.16 5.05 0.04 2.92 0.11 -0.70 0.01 120.40 129.99 1x4d s VAL 18 Ca 0.07 -1.00 -0.30 0.00 -2.93 0.00 0.00 61.98 57.82 1x4d s VAL 18 Cb -0.16 -4.29 -0.04 0.00 -1.53 0.00 0.00 36.38 30.36 1x4d s VAL 18 CO -0.27 -0.82 0.96 -2.28 -3.33 0.00 0.00 175.10 169.37 1x4d s HIS 19 N 2.10 3.72 -0.08 1.54 2.46 0.98 -2.19 115.29 123.83 1x4d s HIS 19 Ca 0.08 1.72 0.02 0.00 0.47 0.00 0.00 55.06 57.35 1x4d s HIS 19 Cb -0.24 -3.08 0.01 0.00 -0.13 0.00 0.00 32.58 29.14 1x4d s HIS 19 CO 0.07 0.08 -0.13 0.42 -2.47 0.00 0.00 174.74 172.72 1x4d s ILE 20 N 0.60 1.20 0.26 0.89 1.01 -0.50 -0.59 121.20 124.06 1x4d s ILE 20 Ca 0.49 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.66 1x4d s ILE 20 Cb -0.22 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1x4d s ILE 20 CO 0.28 0.37 0.08 0.23 0.00 0.00 0.00 174.94 175.91 1x4d n MET 21 N 3.94 0.79 -1.48 2.79 2.81 -0.84 -2.02 117.12 123.09 1x4d n MET 21 Ca -0.21 -2.14 -0.17 0.00 -1.81 0.00 0.00 57.70 53.37 1x4d n MET 21 Cb 0.52 1.09 -0.07 0.00 -0.71 0.00 0.00 33.22 34.04 1x4d n MET 21 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1x4d n ASP 22 N -1.66 -5.34 -4.72 7.83 9.92 -1.25 -1.33 116.55 120.00 1x4d n ASP 22 Ca -0.05 0.41 -0.32 0.00 -0.53 0.00 0.00 54.79 54.30 1x4d n ASP 22 Cb 0.38 -4.30 -0.08 0.00 -0.64 0.00 0.00 41.12 36.48 1x4d n ASP 22 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1x4d s PHE 23 N -2.50 3.12 0.20 1.24 -0.12 -1.26 -4.45 117.98 114.20 1x4d s PHE 23 Ca 0.00 0.09 0.03 0.00 -0.05 0.00 0.00 56.93 57.00 1x4d s PHE 23 Cb 0.00 -1.66 0.03 0.00 -0.63 0.00 0.00 43.02 40.76 1x4d s PHE 23 CO 0.00 0.49 0.22 1.04 -0.05 0.00 0.00 175.22 176.92 1x4d n GLN 24 N 1.10 1.02 -4.44 1.99 1.13 -1.26 -4.69 117.38 112.23 1x4d n GLN 24 Ca -0.13 -1.15 -0.22 0.00 -1.94 0.00 0.00 57.00 53.57 1x4d n GLN 24 Cb 0.52 0.02 -0.10 0.00 0.11 0.00 0.00 30.24 30.79 1x4d n GLN 24 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1x4d s ARG 25 N -2.86 1.59 0.00 -1.09 0.52 -1.26 -4.95 118.95 110.90 1x4d s ARG 25 Ca 0.16 -1.81 0.00 0.00 -0.52 0.00 0.00 55.73 53.56 1x4d s ARG 25 Cb -0.01 -1.21 0.00 0.00 0.52 0.00 0.00 34.95 34.25 1x4d s ARG 25 CO 0.10 0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.87 1x4d n GLY 26 N -0.61 -0.38 0.00 -3.53 0.00 -1.26 -5.01 105.19 94.40 1x4d n GLY 26 Ca -0.05 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.30 -0.78 1.61 2.85 -1.26 -4.82 118.16 116.06 1x4d n LYS 27 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1x4d n LYS 27 Cb 0.00 -0.77 0.19 0.00 -0.65 0.00 0.00 35.03 33.81 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 -1.94 2.24 0.25 -5.58 5.03 -1.26 -4.81 115.26 109.20 1x4d n ASN 28 Ca 0.00 -3.86 -0.17 0.00 0.87 0.00 0.00 54.58 51.42 1x4d n ASN 28 Cb 0.27 -0.57 -0.09 0.00 -1.02 0.00 0.00 39.78 38.37 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 1.08 -1.37 -1.26 3.41 7.12 -1.92 -0.31 115.31 122.05 1x4d h LEU 29 Ca 0.12 0.12 0.37 0.00 0.13 0.00 0.00 57.88 58.61 1x4d h LEU 29 Cb 1.30 0.47 -0.05 0.00 -0.53 0.00 0.00 40.66 41.84 1x4d h LEU 29 CO 0.22 -0.62 1.22 -1.14 -0.13 0.00 0.00 178.44 177.98 1x4d n ARG 30 N -5.54 0.01 -0.02 1.25 0.63 -1.26 0.19 116.66 111.93 1x4d n ARG 30 Ca -0.11 0.98 -0.21 0.00 -0.92 0.00 0.00 57.85 57.59 1x4d n ARG 30 Cb 0.44 -2.38 -0.14 0.00 0.45 0.00 0.00 32.46 30.84 1x4d n ARG 30 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1x4d n TYR 31 N -3.34 1.06 0.05 -0.14 4.19 -0.34 -2.93 117.16 115.72 1x4d n TYR 31 Ca 0.28 0.22 0.18 0.00 3.31 0.00 0.00 57.90 61.90 1x4d n TYR 31 Cb 1.59 -1.14 0.68 0.00 0.49 0.00 0.00 39.34 40.97 1x4d n TYR 31 CO 0.00 0.00 0.00 1.96 0.91 0.00 0.00 176.86 179.73 1x4d h GLN 32 N 0.06 0.00 0.08 2.98 1.08 0.37 0.73 115.11 120.40 1x4d h GLN 32 Ca -0.45 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.45 1x4d h GLN 32 Cb 2.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.42 1x4d h GLN 32 CO 0.06 0.00 -1.60 -0.07 -0.95 0.00 0.00 178.83 176.27 1x4d h LEU 33 N 0.00 0.25 -1.64 1.46 3.38 -1.45 -3.36 115.31 113.95 1x4d h LEU 33 Ca 0.20 -0.77 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 1x4d h LEU 33 Cb 0.81 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1x4d h LEU 33 CO -0.00 1.67 -0.13 -0.07 0.09 0.00 0.00 178.44 180.00 1x4d h LEU 34 N -0.41 0.00 -0.22 1.67 3.38 -1.31 -1.96 115.31 116.46 1x4d h LEU 34 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1x4d h LEU 34 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1x4d h LEU 34 CO -0.03 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1x4d n GLN 35 N -3.41 0.09 0.09 1.13 10.64 0.25 0.92 117.38 127.09 1x4d n GLN 35 Ca -0.01 0.26 0.12 0.00 -1.83 0.00 0.00 57.00 55.54 1x4d n GLN 35 Cb 0.30 -1.65 0.19 0.00 -0.86 0.00 0.00 30.24 28.23 1x4d n GLN 35 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1x4d h LEU 36 N 0.00 0.00 0.00 2.61 3.38 -1.51 -3.37 115.31 116.42 1x4d h LEU 36 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1x4d h LEU 36 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1x4d h LEU 36 CO 0.00 0.06 -0.66 1.33 0.09 0.00 0.00 178.44 179.25 1x4d n VAL 37 N -2.35 0.00 -0.03 1.22 0.24 -0.95 -4.72 118.33 111.75 1x4d n VAL 37 Ca 0.03 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.34 62.12 1x4d n VAL 37 Cb 0.47 0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 33.26 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 -0.48 0.00 7.34 4.39 0.39 0.26 114.58 126.48 1x4d h GLU 38 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1x4d h GLU 38 Cb 0.00 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1x4d h GLU 38 CO 0.00 -0.32 0.00 -0.35 -1.16 0.00 0.00 179.01 177.18 1x4d n PRO 39 N -5.14 0.44 -0.00 2.33 -0.04 -1.26 -1.87 135.00 129.44 1x4d n PRO 39 Ca -0.05 0.03 0.10 0.00 -0.04 0.00 0.00 63.50 63.54 1x4d n PRO 39 Cb 0.34 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.06 0.00 0.00 0.54 3.72 0.79 -5.07 117.46 116.39 1x4d n PHE 40 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1x4d n PHE 40 Cb 0.07 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 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 1.44 -0.69 3.64 1.37 0.00 -0.45 -4.53 105.19 105.97 1x4d n GLY 41 Ca 0.02 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.00 3.67 -0.41 1.61 0.11 -1.26 -4.63 120.40 115.48 1x4d s VAL 42 Ca 0.00 -1.25 -0.18 0.00 -2.93 0.00 0.00 61.98 57.62 1x4d s VAL 42 Cb 0.00 -2.77 0.02 0.00 -1.53 0.00 0.00 36.38 32.10 1x4d s VAL 42 CO 0.00 0.04 0.50 -0.63 -3.33 0.00 0.00 175.10 171.68 1x4d s ILE 43 N -1.42 5.00 -0.16 7.04 -1.09 -1.26 -3.43 121.20 125.88 1x4d s ILE 43 Ca 0.25 -0.11 -0.19 0.00 -2.23 0.00 0.00 60.65 58.36 1x4d s ILE 43 Cb -0.11 -4.07 -0.16 0.00 -1.58 0.00 0.00 42.46 36.54 1x4d s ILE 43 CO 0.17 -0.44 0.31 0.28 -1.23 0.00 0.00 174.94 174.03 1x4d h SER 44 N 8.73 0.00 -2.16 3.58 0.02 -1.53 -3.47 113.55 118.72 1x4d h SER 44 Ca -0.26 -0.53 0.14 0.00 -0.84 0.00 0.00 61.79 60.30 1x4d h SER 44 Cb 1.11 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.38 1x4d h SER 44 CO 0.82 1.09 0.39 0.20 -1.14 0.00 0.00 176.83 178.19 1x4d s ASN 45 N -6.31 -0.47 0.31 3.07 0.01 -0.89 -5.02 114.94 105.65 1x4d s ASN 45 Ca -0.20 0.72 0.09 0.00 -0.71 0.00 0.00 52.86 52.77 1x4d s ASN 45 Cb 0.02 1.27 -0.05 0.00 0.41 0.00 0.00 41.25 42.90 1x4d s ASN 45 CO 0.49 -0.11 -0.01 -1.38 -1.51 0.00 0.00 177.10 174.58 1x4d s HIS 46 N 1.53 2.57 -0.09 2.20 -3.43 -1.26 0.23 115.29 117.05 1x4d s HIS 46 Ca -0.08 -0.35 -0.03 0.00 -0.80 0.00 0.00 55.06 53.80 1x4d s HIS 46 Cb -0.04 -1.35 0.05 0.00 -1.43 0.00 0.00 32.58 29.81 1x4d s HIS 46 CO -0.15 0.54 0.17 -1.17 -2.00 0.00 0.00 174.74 172.13 1x4d s LEU 47 N -3.69 0.05 -0.22 5.38 0.20 0.80 -4.06 118.68 117.14 1x4d s LEU 47 Ca 0.33 0.35 0.02 0.00 0.69 0.00 0.00 54.13 55.53 1x4d s LEU 47 Cb -0.03 0.34 0.05 0.00 -0.43 0.00 0.00 46.19 46.11 1x4d s LEU 47 CO 0.19 -0.23 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.27 1x4d s ILE 48 N 2.09 1.95 0.43 6.68 1.01 -1.26 -0.72 121.20 131.38 1x4d s ILE 48 Ca 0.01 -1.26 -0.21 0.00 0.00 0.00 0.00 60.65 59.19 1x4d s ILE 48 Cb -0.12 -1.99 -0.11 0.00 0.01 0.00 0.00 42.46 40.26 1x4d s ILE 48 CO -0.06 0.16 0.94 -0.76 0.00 0.00 0.00 174.94 175.22 1x4d s LEU 49 N 1.25 3.93 0.01 2.97 1.43 -1.20 -4.98 118.68 122.10 1x4d s LEU 49 Ca -0.03 1.67 0.22 0.00 -1.03 0.00 0.00 54.13 54.95 1x4d s LEU 49 Cb -0.17 -4.52 -0.13 0.00 0.03 0.00 0.00 46.19 41.40 1x4d s LEU 49 CO -0.08 -0.36 0.89 0.59 0.23 0.00 0.00 176.35 177.62 1x4d n ASN 50 N -0.66 0.67 -0.10 2.29 3.02 -1.26 -4.29 115.26 114.93 1x4d n ASN 50 Ca 0.07 -0.56 -0.13 0.00 -0.03 0.00 0.00 54.58 53.93 1x4d n ASN 50 Cb 0.54 1.09 -0.04 0.00 -0.61 0.00 0.00 39.78 40.76 1x4d n ASN 50 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1x4d h LYS 51 N 0.00 0.72 0.00 3.52 6.56 -1.97 -3.47 116.57 121.93 1x4d h LYS 51 Ca 0.00 -0.37 -0.30 0.00 -1.06 0.00 0.00 60.65 58.93 1x4d h LYS 51 Cb 0.65 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 32.24 1x4d h LYS 51 CO 0.00 0.98 -0.27 0.44 -2.06 0.00 0.00 179.45 178.54 1x4d n ILE 52 N -4.26 0.00 -1.57 1.86 -0.00 -1.26 -5.05 119.36 109.08 1x4d n ILE 52 Ca -0.03 -1.57 -0.29 0.00 -0.00 0.00 0.00 62.75 60.85 1x4d n ILE 52 Cb 0.46 0.82 -0.04 0.00 -0.00 0.00 0.00 39.64 40.88 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 -2.03 6.65 -4.12 7.28 3.02 -1.26 -4.62 115.26 120.18 1x4d n ASN 53 Ca 0.04 -3.29 -0.33 0.00 -0.03 0.00 0.00 54.58 50.97 1x4d n ASN 53 Cb 0.41 -1.21 -0.15 0.00 -0.61 0.00 0.00 39.78 38.21 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 -2.04 2.78 0.23 3.52 2.02 -1.26 -3.89 118.70 120.07 1x4d s GLU 54 Ca 0.58 -0.98 0.09 0.00 0.02 0.00 0.00 54.97 54.67 1x4d s GLU 54 Cb 0.39 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.85 1x4d s GLU 54 CO -0.25 -0.33 -0.15 0.00 0.02 0.00 0.00 175.26 174.55 1x4d s ALA 55 N 1.25 2.24 -0.07 5.21 0.00 -0.86 -3.21 121.76 126.33 1x4d s ALA 55 Ca 0.01 -1.74 -0.03 0.00 0.00 0.00 0.00 51.96 50.20 1x4d s ALA 55 Cb -0.15 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.90 1x4d s ALA 55 CO -0.09 0.11 0.10 -0.06 0.00 0.00 0.00 175.76 175.81 1x4d s PHE 56 N -2.86 -0.03 -0.24 0.00 0.08 0.10 -1.42 117.98 113.62 1x4d s PHE 56 Ca 0.25 0.36 -0.07 0.00 0.12 0.00 0.00 56.93 57.59 1x4d s PHE 56 Cb -0.01 -0.41 -0.02 0.00 -0.57 0.00 0.00 43.02 42.00 1x4d s PHE 56 CO 0.09 -0.24 0.05 0.42 -0.10 0.00 0.00 175.22 175.43 1x4d s ILE 57 N 2.22 4.12 -0.20 0.64 1.01 -0.93 -0.14 121.20 127.92 1x4d s ILE 57 Ca 0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.30 1x4d s ILE 57 Cb -0.12 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1x4d s ILE 57 CO -0.04 0.36 0.36 -0.70 0.00 0.00 0.00 174.94 174.91 1x4d s GLU 58 N 1.56 4.18 0.27 2.79 2.12 0.14 -1.72 118.70 128.04 1x4d s GLU 58 Ca 0.06 0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.56 1x4d s GLU 58 Cb -0.15 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 1x4d s GLU 58 CO 0.02 0.03 0.43 -1.64 -0.54 0.00 0.00 175.26 173.56 1x4d s MET 59 N 1.11 3.46 0.39 4.30 -1.94 -1.22 -1.43 119.30 123.97 1x4d s MET 59 Ca 0.18 -0.56 0.11 0.00 -1.71 0.00 0.00 55.69 53.71 1x4d s MET 59 Cb -0.14 -2.81 0.79 0.00 2.01 0.00 0.00 34.83 34.68 1x4d s MET 59 CO 0.07 0.33 1.89 0.00 -0.01 0.00 0.00 175.02 177.31 1x4d h ALA 60 N 1.16 1.49 -3.51 3.03 0.00 -1.91 -3.43 119.26 116.10 1x4d h ALA 60 Ca -0.51 -0.24 -0.33 0.00 0.00 0.00 0.00 54.91 53.83 1x4d h ALA 60 Cb 1.22 -0.07 -0.34 0.00 0.00 0.00 0.00 17.79 18.60 1x4d h ALA 60 CO 0.62 0.37 -0.74 0.95 0.00 0.00 0.00 179.25 180.45 1x4d s THR 61 N -4.54 0.10 0.60 0.00 -4.23 -1.26 -5.01 115.64 101.30 1x4d s THR 61 Ca -0.04 0.12 0.28 0.00 -1.18 0.00 0.00 61.69 60.87 1x4d s THR 61 Cb 0.15 -0.21 0.39 0.00 1.34 0.00 0.00 72.50 74.17 1x4d s THR 61 CO 0.73 0.12 1.69 0.00 -0.54 0.00 0.00 174.62 176.62 1x4d h THR 62 N 6.24 0.22 -0.74 3.99 1.03 -1.83 0.32 112.91 122.14 1x4d h THR 62 Ca -0.44 0.00 0.09 0.00 -0.01 0.00 0.00 66.41 66.06 1x4d h THR 62 Cb 1.13 0.40 -0.05 0.00 -1.07 0.00 0.00 68.15 68.56 1x4d h THR 62 CO 0.48 0.00 0.48 -0.33 -0.01 0.00 0.00 175.52 176.14 1x4d h GLU 63 N 0.00 0.62 0.07 0.00 5.08 -1.95 -0.91 114.58 117.50 1x4d h GLU 63 Ca 0.31 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1x4d h GLU 63 Cb 1.79 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1x4d h GLU 63 CO -0.00 0.41 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.95 1x4d h ASP 64 N 0.64 -0.08 -0.96 1.42 3.32 -0.60 -2.81 116.42 117.35 1x4d h ASP 64 Ca 0.34 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.63 1x4d h ASP 64 Cb 0.46 0.02 -0.18 0.00 0.22 0.00 0.00 39.33 39.86 1x4d h ASP 64 CO -0.12 0.09 -0.07 0.00 -1.72 0.00 0.00 179.24 177.42 1x4d h ALA 65 N -1.66 0.95 -0.81 3.45 0.00 -1.58 1.02 119.26 120.62 1x4d h ALA 65 Ca -0.01 0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1x4d h ALA 65 Cb 0.07 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1x4d h ALA 65 CO 0.02 -0.49 0.43 1.96 0.00 0.00 0.00 179.25 181.16 1x4d h GLN 66 N 0.02 1.14 -0.40 0.00 4.20 -1.29 -2.71 115.11 116.06 1x4d h GLN 66 Ca 0.53 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 59.05 1x4d h GLN 66 Cb 1.00 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1x4d h GLN 66 CO -0.92 0.84 0.04 0.00 -0.67 0.00 0.00 178.83 178.12 1x4d h ALA 67 N 1.33 0.54 -0.78 3.87 0.00 0.12 -2.66 119.26 121.68 1x4d h ALA 67 Ca 0.28 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1x4d h ALA 67 Cb 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1x4d h ALA 67 CO -0.04 0.28 0.52 0.00 0.00 0.00 0.00 179.25 180.00 1x4d h ALA 68 N 0.91 2.02 -0.07 0.00 0.00 -0.61 -0.21 119.26 121.30 1x4d h ALA 68 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 1x4d h ALA 68 Cb 0.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1x4d h ALA 68 CO 0.01 -0.23 -0.74 0.28 0.00 0.00 0.00 179.25 178.57 1x4d h VAL 69 N 0.50 1.38 0.00 0.00 2.07 -1.30 -2.96 116.25 115.94 1x4d h VAL 69 Ca 0.38 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1x4d h VAL 69 Cb 0.78 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1x4d h VAL 69 CO -0.14 0.65 0.00 -0.78 0.02 0.00 0.00 177.57 177.32 1x4d h ASP 70 N 0.28 0.00 0.87 0.57 3.58 -0.70 -1.19 116.42 119.84 1x4d h ASP 70 Ca -0.03 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.21 1x4d h ASP 70 Cb 1.33 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.34 1x4d h ASP 70 CO 0.13 0.00 -1.21 0.22 -2.88 0.00 0.00 179.24 175.50 1x4d h TYR 71 N 0.00 0.00 0.00 0.28 3.20 -1.33 -3.06 116.97 116.06 1x4d h TYR 71 Ca 0.00 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 1x4d h TYR 71 Cb 0.13 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1x4d h TYR 71 CO 0.00 0.79 -0.61 -0.92 -1.64 0.00 0.00 178.16 175.78 1x4d h TYR 72 N 0.00 0.00 0.00 -3.82 3.20 -1.26 0.92 116.97 116.01 1x4d h TYR 72 Ca -0.13 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.61 1x4d h TYR 72 Cb 1.71 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.96 1x4d h TYR 72 CO 0.00 0.61 -0.94 0.00 -1.64 0.00 0.00 178.16 176.19 1x4d h THR 73 N 0.00 0.74 0.00 1.81 1.03 -1.59 -3.35 112.91 111.55 1x4d h THR 73 Ca -0.01 -2.17 -0.08 0.00 -0.01 0.00 0.00 66.41 64.15 1x4d h THR 73 Cb 1.28 2.26 -0.01 0.00 -1.07 0.00 0.00 68.15 70.61 1x4d h THR 73 CO 0.08 0.42 -1.93 0.35 -0.01 0.00 0.00 175.52 174.43 1x4d n THR 74 N -3.08 0.29 -3.85 0.00 -2.24 -1.16 -4.97 114.28 99.27 1x4d n THR 74 Ca -0.03 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1x4d n THR 74 Cb 0.79 -0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.80 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 -3.08 -0.01 -0.06 4.28 2.01 0.32 -5.06 115.64 114.03 1x4d s THR 75 Ca -0.07 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 1x4d s THR 75 Cb 0.10 -0.04 -0.05 0.00 0.01 0.00 0.00 72.50 72.53 1x4d s THR 75 CO 0.76 0.01 1.50 -2.16 -0.69 0.00 0.00 174.62 174.04 1x4d s PRO 76 N 0.12 4.22 -1.06 4.92 0.04 -1.26 -3.60 135.00 138.38 1x4d s PRO 76 Ca -0.01 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 1x4d s PRO 76 Cb -0.01 -3.82 0.16 0.00 0.04 0.00 0.00 34.50 30.86 1x4d s PRO 76 CO -0.00 -0.75 1.25 0.00 0.04 0.00 0.00 177.00 177.54 1x4d s ALA 77 N 3.48 3.75 -0.52 8.56 0.00 -1.26 -4.99 121.76 130.79 1x4d s ALA 77 Ca 0.67 -3.11 -0.27 0.00 0.00 0.00 0.00 51.96 49.24 1x4d s ALA 77 Cb -0.30 -4.04 0.03 0.00 0.00 0.00 0.00 23.12 18.81 1x4d s ALA 77 CO 0.25 -2.82 1.07 -0.51 0.00 0.00 0.00 175.76 173.75 1x4d s LEU 78 N 1.89 3.75 -0.22 0.00 1.43 -1.26 -2.49 118.68 121.78 1x4d s LEU 78 Ca 0.37 0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.41 1x4d s LEU 78 Cb -0.04 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1x4d s LEU 78 CO -0.05 -1.28 0.44 -0.69 0.23 0.00 0.00 176.35 175.01 1x4d s VAL 79 N 4.36 5.15 0.00 -1.59 1.01 0.48 -4.03 120.40 125.78 1x4d s VAL 79 Ca 0.40 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1x4d s VAL 79 Cb -0.09 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1x4d s VAL 79 CO 0.26 0.19 0.00 0.49 0.00 0.00 0.00 175.10 176.04 1x4d n PHE 80 N 4.87 0.00 0.00 5.22 3.72 -1.26 -1.25 117.46 128.75 1x4d n PHE 80 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1x4d n PHE 80 Cb 0.51 -1.44 0.00 0.00 -0.94 0.00 0.00 39.48 37.61 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 -0.61 2.23 3.73 1.37 0.00 -1.26 -5.10 105.19 105.56 1x4d n GLY 81 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.25 2.66 0.52 1.61 0.00 -0.38 -4.97 119.74 118.93 1x4d s LYS 82 Ca 0.00 -0.94 -0.20 0.00 0.00 0.00 0.00 55.97 54.83 1x4d s LYS 82 Cb 0.00 -2.53 -0.06 0.00 0.00 0.00 0.00 37.83 35.24 1x4d s LYS 82 CO 0.00 0.49 1.14 -1.25 0.00 0.00 0.00 175.35 175.72 1x4d s PRO 83 N -2.87 3.46 0.25 1.78 0.04 -1.26 0.18 135.00 136.58 1x4d s PRO 83 Ca 0.29 1.65 0.05 0.00 0.04 0.00 0.00 61.00 63.03 1x4d s PRO 83 Cb -0.10 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1x4d s PRO 83 CO 0.21 -0.77 0.19 1.33 0.04 0.00 0.00 177.00 178.00 1x4d n VAL 84 N -1.09 0.00 -4.96 -0.36 0.24 -1.04 -4.76 118.33 106.36 1x4d n VAL 84 Ca 0.10 -1.76 -0.31 0.00 -2.04 0.00 0.00 64.34 60.33 1x4d n VAL 84 Cb 0.50 0.83 -0.14 0.00 -1.47 0.00 0.00 33.84 33.56 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 -3.01 2.14 -0.12 7.34 0.52 -0.44 -4.77 118.95 120.61 1x4d s ARG 85 Ca 0.26 -0.92 -0.02 0.00 -0.52 0.00 0.00 55.73 54.53 1x4d s ARG 85 Cb 0.01 -2.15 0.04 0.00 0.52 0.00 0.00 34.95 33.37 1x4d s ARG 85 CO 0.19 0.56 0.03 0.08 0.02 0.00 0.00 175.30 176.18 1x4d s VAL 86 N -0.76 0.30 0.23 3.52 1.01 -1.26 -1.99 120.40 121.45 1x4d s VAL 86 Ca 0.12 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1x4d s VAL 86 Cb -0.10 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1x4d s VAL 86 CO 0.02 0.05 0.01 -1.00 0.00 0.00 0.00 175.10 174.18 1x4d s HIS 87 N 1.99 1.53 -0.98 5.22 3.76 0.24 -4.89 115.29 122.15 1x4d s HIS 87 Ca 0.03 -0.98 -0.03 0.00 -0.15 0.00 0.00 55.06 53.93 1x4d s HIS 87 Cb -0.14 -0.89 0.27 0.00 1.11 0.00 0.00 32.58 32.92 1x4d s HIS 87 CO -0.06 -0.10 1.07 -0.11 -0.85 0.00 0.00 174.74 174.68 1x4d n LEU 88 N -0.41 5.14 0.00 0.89 -0.00 -1.26 -0.01 117.00 121.35 1x4d n LEU 88 Ca -0.04 -5.17 -0.19 0.00 -0.00 0.00 0.00 56.01 50.61 1x4d n LEU 88 Cb 0.64 -1.20 0.16 0.00 -0.00 0.00 0.00 43.42 43.02 1x4d n LEU 88 CO 0.37 1.60 0.38 -0.24 -0.00 0.00 0.00 177.39 179.50 1x4d n SER 89 N 1.95 -1.79 -4.23 1.96 2.88 0.10 -4.90 113.62 109.59 1x4d n SER 89 Ca 0.25 -0.91 -0.19 0.00 -1.33 0.00 0.00 58.87 56.69 1x4d n SER 89 Cb 0.37 -0.64 -0.10 0.00 -0.75 0.00 0.00 64.21 63.09 1x4d n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4d s GLN 90 N -4.58 1.56 1.78 -1.46 1.03 -1.26 -3.85 119.66 112.88 1x4d s GLN 90 Ca 0.45 -1.88 0.00 0.00 0.04 0.00 0.00 55.36 53.98 1x4d s GLN 90 Cb -0.05 -0.36 0.00 0.00 0.03 0.00 0.00 33.01 32.63 1x4d s GLN 90 CO 0.35 -0.34 0.00 1.17 -2.54 0.00 0.00 175.29 173.93 1x4d n LYS 91 N -0.59 0.00 -3.44 9.60 4.81 -1.26 -4.99 118.16 122.29 1x4d n LYS 91 Ca -0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.25 1x4d n LYS 91 Cb 0.66 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.78 1x4d n LYS 91 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1x4d n TYR 92 N -0.01 -2.20 0.02 5.64 4.02 -1.26 -4.82 117.16 118.54 1x4d n TYR 92 Ca 0.00 0.87 -0.18 0.00 -0.01 0.00 0.00 57.90 58.58 1x4d n TYR 92 Cb 0.00 -4.60 -0.11 0.00 -0.02 0.00 0.00 39.34 34.61 1x4d n TYR 92 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1x4d h LYS 93 N -1.66 0.46 -4.48 -0.72 1.79 -1.97 -3.37 116.57 106.61 1x4d h LYS 93 Ca -0.60 -0.52 -0.72 0.00 -2.18 0.00 0.00 60.65 56.63 1x4d h LYS 93 Cb 1.34 0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 32.05 1x4d h LYS 93 CO 0.49 1.17 2.40 0.54 -1.08 0.00 0.00 179.45 182.97 1x4d n ARG 94 N -4.13 3.19 -3.61 3.15 5.12 -1.26 -4.96 116.66 114.16 1x4d n ARG 94 Ca -0.11 -3.16 -0.37 0.00 -1.93 0.00 0.00 57.85 52.27 1x4d n ARG 94 Cb 0.74 -3.23 -0.06 0.00 -1.16 0.00 0.00 32.46 28.75 1x4d n ARG 94 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1x4d s ILE 95 N 2.61 5.22 -0.32 0.55 1.01 -1.26 -5.04 121.20 123.97 1x4d s ILE 95 Ca 0.47 0.61 -0.09 0.00 0.00 0.00 0.00 60.65 61.64 1x4d s ILE 95 Cb 0.08 -3.61 0.19 0.00 0.01 0.00 0.00 42.46 39.12 1x4d s ILE 95 CO -0.01 0.55 1.01 -0.75 0.00 0.00 0.00 174.94 175.74 1x4d s LYS 96 N -0.76 0.21 -0.96 2.79 2.20 -1.26 -4.86 119.74 117.10 1x4d s LYS 96 Ca 0.20 0.02 -0.13 0.00 -0.36 0.00 0.00 55.97 55.70 1x4d s LYS 96 Cb -0.15 0.05 0.22 0.00 -1.51 0.00 0.00 37.83 36.44 1x4d s LYS 96 CO 0.09 -0.34 0.99 0.45 -0.36 0.00 0.00 175.35 176.19 1x4d s SER 97 N 2.37 6.93 0.17 1.43 0.15 -1.26 -4.99 113.70 118.50 1x4d s SER 97 Ca 0.20 -2.86 0.03 0.00 0.70 0.00 0.00 55.95 54.02 1x4d s SER 97 Cb 0.00 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1x4d s SER 97 CO -0.18 -0.60 0.12 0.61 1.20 0.00 0.00 173.24 174.39 1x4d n GLY 98 N 3.90 3.54 0.20 9.45 0.00 -1.26 -5.04 105.19 115.98 1x4d n GLY 98 Ca 0.21 -1.84 -0.04 0.00 0.00 0.00 0.00 46.02 44.35 1x4d n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4d h PRO 99 N 0.00 0.32 -4.89 1.61 0.13 -2.08 -3.45 132.00 123.64 1x4d h PRO 99 Ca -0.12 -0.17 -0.68 0.00 -0.87 0.00 0.00 66.00 64.16 1x4d h PRO 99 Cb 0.58 0.01 0.03 0.00 0.13 0.00 0.00 31.00 31.75 1x4d h PRO 99 CO 0.19 0.72 0.28 -1.13 -0.23 0.00 0.00 178.00 177.83 1x4d n SER 100 N -3.99 0.44 -3.15 1.44 3.41 -1.26 -4.93 113.62 105.59 1x4d n SER 100 Ca -0.02 0.96 0.04 0.00 -0.26 0.00 0.00 58.87 59.59 1x4d n SER 100 Cb 0.52 -0.73 -0.01 0.00 -0.26 0.00 0.00 64.21 63.73 1x4d n SER 100 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4d s SER 101 N 1.11 -1.44 0.00 4.04 0.15 -1.26 -5.13 113.70 111.18 1x4d s SER 101 Ca 0.79 0.70 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1x4d s SER 101 Cb -1.12 2.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1x4d s SER 101 CO 0.56 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.34