#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 0.04 -2.57 1.61 3.41 -1.26 -5.13 113.62 109.71 1x4d n SER 2 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1x4d n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1x4d n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x4d n SER 3 N -1.74 -2.33 -3.42 4.04 7.64 -1.26 -5.02 113.62 111.52 1x4d n SER 3 Ca 0.00 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.32 1x4d n SER 3 Cb 0.01 -5.09 0.00 0.00 -1.01 0.00 0.00 64.21 58.12 1x4d n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4d n GLY 4 N 1.80 -1.31 3.18 0.23 0.00 -1.26 -4.97 105.19 102.86 1x4d n GLY 4 Ca -0.33 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1x4d n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4d s SER 5 N -1.42 5.75 0.10 1.61 0.01 -1.26 -4.96 113.70 113.53 1x4d s SER 5 Ca 0.00 -2.59 -0.34 0.00 1.31 0.00 0.00 55.95 54.33 1x4d s SER 5 Cb 0.00 -1.98 -0.15 0.00 0.21 0.00 0.00 66.02 64.10 1x4d s SER 5 CO 0.00 -0.50 1.58 0.28 0.41 0.00 0.00 173.24 175.01 1x4d h SER 6 N 7.56 -1.29 -3.32 2.44 0.02 -2.04 -3.40 113.55 113.51 1x4d h SER 6 Ca -0.03 0.12 -0.63 0.00 -0.84 0.00 0.00 61.79 60.41 1x4d h SER 6 Cb 1.00 0.44 -0.21 0.00 0.14 0.00 0.00 62.40 63.78 1x4d h SER 6 CO 0.75 -0.59 -0.65 -0.83 -1.14 0.00 0.00 176.83 174.38 1x4d s GLY 7 N -2.22 1.75 -0.41 -3.77 0.00 -1.26 -5.07 107.32 96.35 1x4d s GLY 7 Ca -0.17 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1x4d s GLY 7 CO 0.62 0.00 0.21 1.20 0.00 0.00 0.00 173.10 175.12 1x4d s GLN 8 N 0.46 2.15 -0.02 2.90 -0.21 -1.26 -4.97 119.66 118.71 1x4d s GLN 8 Ca -0.02 -1.73 -0.01 0.00 0.02 0.00 0.00 55.36 53.62 1x4d s GLN 8 Cb -0.14 -3.60 -0.05 0.00 1.00 0.00 0.00 33.01 30.22 1x4d s GLN 8 CO 0.02 -1.03 2.36 1.17 -2.12 0.00 0.00 175.29 175.70 1x4d n LYS 9 N 4.66 1.28 0.00 2.91 4.81 -1.26 -4.92 118.16 125.65 1x4d n LYS 9 Ca -0.05 -0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.05 1x4d n LYS 9 Cb 0.42 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 34.20 1x4d n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x4d n GLY 10 N 1.64 1.37 3.20 3.14 0.00 -1.26 -4.90 105.19 108.38 1x4d n GLY 10 Ca 0.12 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 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 0.89 0.10 1.61 0.52 -1.26 -5.16 118.95 115.65 1x4d s ARG 11 Ca 0.00 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 54.22 1x4d s ARG 11 Cb 0.00 -0.91 -0.04 0.00 0.52 0.00 0.00 34.95 34.53 1x4d s ARG 11 CO 0.00 0.20 -0.09 0.14 0.02 0.00 0.00 175.30 175.56 1x4d s VAL 12 N -1.41 0.91 -0.68 3.52 -7.23 -1.26 -5.10 120.40 109.15 1x4d s VAL 12 Ca 0.01 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.51 1x4d s VAL 12 Cb -0.09 -1.45 0.19 0.00 0.56 0.00 0.00 36.38 35.59 1x4d s VAL 12 CO 0.03 -0.63 0.54 1.21 -0.31 0.00 0.00 175.10 175.93 1x4d n GLU 13 N 0.39 1.88 -3.93 4.82 2.13 -1.26 -5.05 120.64 119.62 1x4d n GLU 13 Ca -0.15 -4.45 -0.25 0.00 0.66 0.00 0.00 57.16 52.98 1x4d n GLU 13 Cb 0.58 -2.24 -0.17 0.00 0.27 0.00 0.00 31.44 29.88 1x4d n GLU 13 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1x4d s THR 14 N -1.59 0.75 0.00 6.31 -1.32 -1.26 -5.10 115.64 113.44 1x4d s THR 14 Ca 0.28 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 1x4d s THR 14 Cb 0.00 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1x4d s THR 14 CO -0.14 0.31 0.00 0.54 -2.21 0.00 0.00 174.62 173.12 1x4d n ARG 15 N 4.85 0.00 -3.41 7.08 1.74 -1.26 -4.72 116.66 120.93 1x4d n ARG 15 Ca -0.13 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.81 1x4d n ARG 15 Cb 0.50 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.84 1x4d n ARG 15 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x4d s ARG 16 N 0.00 0.29 -0.26 5.56 3.00 -1.26 -4.42 118.95 121.86 1x4d s ARG 16 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 55.73 55.87 1x4d s ARG 16 Cb 0.00 -0.76 0.10 0.00 0.00 0.00 0.00 34.95 34.29 1x4d s ARG 16 CO 0.00 -0.80 0.15 0.08 0.00 0.00 0.00 175.30 174.72 1x4d s VAL 17 N 2.42 -0.13 -0.53 3.52 1.01 -1.26 -3.33 120.40 122.10 1x4d s VAL 17 Ca 0.10 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 1x4d s VAL 17 Cb -0.15 -0.88 0.06 0.00 0.00 0.00 0.00 36.38 35.42 1x4d s VAL 17 CO -0.21 -0.58 0.67 0.54 0.00 0.00 0.00 175.10 175.52 1x4d s VAL 18 N 2.15 4.81 0.09 2.92 0.11 -0.32 0.15 120.40 130.31 1x4d s VAL 18 Ca 0.07 -0.50 -0.26 0.00 -2.93 0.00 0.00 61.98 58.36 1x4d s VAL 18 Cb -0.16 -4.36 -0.06 0.00 -1.53 0.00 0.00 36.38 30.27 1x4d s VAL 18 CO -0.29 -0.90 0.81 -2.28 -3.33 0.00 0.00 175.10 169.11 1x4d s HIS 19 N 2.79 3.80 -0.04 1.54 2.46 -0.79 -2.03 115.29 123.02 1x4d s HIS 19 Ca 0.16 1.59 0.02 0.00 0.47 0.00 0.00 55.06 57.30 1x4d s HIS 19 Cb -0.19 -2.86 0.01 0.00 -0.13 0.00 0.00 32.58 29.41 1x4d s HIS 19 CO 0.12 0.32 -0.08 0.42 -2.47 0.00 0.00 174.74 173.05 1x4d s ILE 20 N -0.32 0.76 0.27 0.89 1.01 0.24 -0.74 121.20 123.30 1x4d s ILE 20 Ca 0.40 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1x4d s ILE 20 Cb -0.22 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 1x4d s ILE 20 CO 0.25 0.26 0.05 -0.04 0.00 0.00 0.00 174.94 175.47 1x4d s MET 21 N 0.56 1.45 0.00 2.79 -1.94 -1.01 -2.06 119.30 119.09 1x4d s MET 21 Ca -0.09 -1.78 0.00 0.00 -1.71 0.00 0.00 55.69 52.11 1x4d s MET 21 Cb -0.12 -0.54 0.00 0.00 2.01 0.00 0.00 34.83 36.18 1x4d s MET 21 CO 0.01 -0.20 0.00 -3.47 -0.01 0.00 0.00 175.02 171.35 1x4d n ASP 22 N -0.51 0.00 -4.75 3.03 -0.08 -1.24 -1.04 116.55 111.96 1x4d n ASP 22 Ca -0.02 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.86 1x4d n ASP 22 Cb 0.66 -0.50 -0.06 0.00 2.34 0.00 0.00 41.12 43.56 1x4d n ASP 22 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1x4d s PHE 23 N -3.09 3.93 0.23 -0.67 -0.12 -1.26 -4.79 117.98 112.21 1x4d s PHE 23 Ca 0.00 1.82 0.02 0.00 -0.05 0.00 0.00 56.93 58.72 1x4d s PHE 23 Cb 0.00 -2.94 0.04 0.00 -0.63 0.00 0.00 43.02 39.50 1x4d s PHE 23 CO 0.00 0.43 0.32 1.04 -0.05 0.00 0.00 175.22 176.96 1x4d n GLN 24 N 1.76 0.61 -4.45 1.99 1.13 -1.26 -4.75 117.38 112.41 1x4d n GLN 24 Ca -0.02 -1.05 -0.22 0.00 -1.94 0.00 0.00 57.00 53.77 1x4d n GLN 24 Cb 0.48 -0.16 -0.10 0.00 0.11 0.00 0.00 30.24 30.56 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 -3.15 1.60 -0.31 -1.09 0.52 -1.26 -4.96 118.95 110.30 1x4d s ARG 25 Ca 0.23 -1.80 0.03 0.00 -0.52 0.00 0.00 55.73 53.67 1x4d s ARG 25 Cb -0.02 -1.34 0.13 0.00 0.52 0.00 0.00 34.95 34.25 1x4d s ARG 25 CO 0.15 0.10 1.09 0.41 0.02 0.00 0.00 175.30 177.07 1x4d n GLY 26 N -0.62 -0.27 5.04 -3.53 0.00 -1.26 -4.97 105.19 99.59 1x4d n GLY 26 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.53 0.00 -0.56 1.61 4.81 -1.26 -4.06 118.16 118.16 1x4d n LYS 27 Ca -0.21 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.12 1x4d n LYS 27 Cb 0.68 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.80 1x4d n LYS 27 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1x4d n ASN 28 N 2.43 3.73 0.24 3.14 5.03 -1.26 -4.44 115.26 124.12 1x4d n ASN 28 Ca 0.00 -2.72 -0.15 0.00 0.87 0.00 0.00 54.58 52.57 1x4d n ASN 28 Cb 0.00 -0.70 -0.08 0.00 -1.02 0.00 0.00 39.78 37.98 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 1.21 -0.49 -1.69 3.41 7.12 -1.94 -2.53 115.31 120.41 1x4d h LEU 29 Ca 0.27 -0.03 0.52 0.00 0.13 0.00 0.00 57.88 58.77 1x4d h LEU 29 Cb 1.68 0.13 -0.10 0.00 -0.53 0.00 0.00 40.66 41.83 1x4d h LEU 29 CO 0.50 -0.29 1.17 -1.14 -0.13 0.00 0.00 178.44 178.55 1x4d n ARG 30 N -5.31 -0.01 0.08 1.25 0.63 -1.26 0.23 116.66 112.27 1x4d n ARG 30 Ca -0.11 1.13 -0.20 0.00 -0.92 0.00 0.00 57.85 57.74 1x4d n ARG 30 Cb 0.26 -2.43 -0.11 0.00 0.45 0.00 0.00 32.46 30.63 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 0.95 0.00 -0.14 5.03 -1.81 -2.19 116.97 118.82 1x4d h TYR 31 Ca 0.90 -0.57 -0.02 0.00 2.58 0.00 0.00 58.73 61.61 1x4d h TYR 31 Cb 3.31 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 41.50 1x4d h TYR 31 CO -0.00 1.41 -0.12 1.96 -1.32 0.00 0.00 178.16 180.10 1x4d h GLN 32 N 0.29 0.00 0.17 1.82 1.08 0.31 0.27 115.11 119.05 1x4d h GLN 32 Ca -0.16 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.69 1x4d h GLN 32 Cb 1.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.26 1x4d h GLN 32 CO 0.22 0.12 -1.78 -0.07 -0.95 0.00 0.00 178.83 176.37 1x4d h LEU 33 N 0.00 0.58 -0.75 1.46 3.38 -1.31 -3.34 115.31 115.32 1x4d h LEU 33 Ca -0.00 -0.91 -0.09 0.00 0.09 0.00 0.00 57.88 56.97 1x4d h LEU 33 Cb 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1x4d h LEU 33 CO 0.02 1.78 -0.42 -0.07 0.09 0.00 0.00 178.44 179.83 1x4d h LEU 34 N 0.10 0.00 -0.47 1.67 3.38 -1.08 -2.83 115.31 116.08 1x4d h LEU 34 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1x4d h LEU 34 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 1x4d h LEU 34 CO 0.16 0.42 0.00 0.00 0.09 0.00 0.00 178.44 179.11 1x4d n GLN 35 N -3.48 0.15 0.08 1.13 -0.00 0.91 0.13 117.38 116.29 1x4d n GLN 35 Ca 0.00 0.36 0.12 0.00 -0.00 0.00 0.00 57.00 57.48 1x4d n GLN 35 Cb 0.56 -1.77 0.21 0.00 -0.00 0.00 0.00 30.24 29.24 1x4d n GLN 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1x4d h LEU 36 N 0.00 0.00 0.00 2.61 3.38 -1.62 -3.36 115.31 116.32 1x4d h LEU 36 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1x4d h LEU 36 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1x4d h LEU 36 CO 0.00 0.08 -0.25 1.33 0.09 0.00 0.00 178.44 179.69 1x4d n VAL 37 N -2.20 0.00 0.19 1.22 0.24 -0.85 -4.73 118.33 112.20 1x4d n VAL 37 Ca 0.04 -0.23 -0.16 0.00 -2.04 0.00 0.00 64.34 61.94 1x4d n VAL 37 Cb 0.45 0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.78 0.00 7.34 4.39 0.95 -0.70 114.58 125.78 1x4d h GLU 38 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1x4d h GLU 38 Cb 0.00 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1x4d h GLU 38 CO 0.00 -0.52 0.00 -0.35 -1.16 0.00 0.00 179.01 176.98 1x4d n PRO 39 N -5.19 0.45 0.00 2.33 -0.04 -1.26 -1.82 135.00 129.47 1x4d n PRO 39 Ca -0.09 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1x4d n PRO 39 Cb 0.40 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.03 0.00 -0.11 0.54 3.01 -0.34 -5.07 117.46 114.45 1x4d n PHE 40 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1x4d n PHE 40 Cb 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 1x4d n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x4d n GLY 41 N 1.45 -0.56 3.64 1.37 0.00 -0.74 -4.39 105.19 105.96 1x4d n GLY 41 Ca 0.05 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.97 3.82 -0.20 1.61 0.11 -1.26 -4.61 120.40 115.90 1x4d s VAL 42 Ca 0.00 -0.88 -0.21 0.00 -2.93 0.00 0.00 61.98 57.97 1x4d s VAL 42 Cb 0.00 -2.74 -0.02 0.00 -1.53 0.00 0.00 36.38 32.09 1x4d s VAL 42 CO 0.00 0.27 0.63 -0.63 -3.33 0.00 0.00 175.10 172.04 1x4d s ILE 43 N -1.14 5.02 -0.27 7.04 -1.09 -1.26 -2.99 121.20 126.51 1x4d s ILE 43 Ca 0.21 1.19 -0.12 0.00 -2.23 0.00 0.00 60.65 59.70 1x4d s ILE 43 Cb -0.11 -3.95 -0.14 0.00 -1.58 0.00 0.00 42.46 36.68 1x4d s ILE 43 CO 0.12 0.11 -0.29 -1.20 -1.23 0.00 0.00 174.94 172.45 1x4d n SER 44 N 5.08 1.96 -3.58 3.58 7.64 -0.07 -4.86 113.62 123.37 1x4d n SER 44 Ca -0.01 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1x4d n SER 44 Cb 0.50 -0.76 -0.06 0.00 -1.01 0.00 0.00 64.21 62.88 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 -7.28 -0.35 0.27 6.43 0.01 -0.71 -4.94 114.94 108.38 1x4d s ASN 45 Ca -0.37 0.54 0.11 0.00 -0.71 0.00 0.00 52.86 52.42 1x4d s ASN 45 Cb 0.13 1.20 -0.05 0.00 0.41 0.00 0.00 41.25 42.95 1x4d s ASN 45 CO 0.52 -0.08 -0.11 -1.38 -1.51 0.00 0.00 177.10 174.54 1x4d s HIS 46 N 1.45 2.48 -0.04 2.20 -3.43 -1.26 0.10 115.29 116.79 1x4d s HIS 46 Ca -0.07 -0.28 -0.01 0.00 -0.80 0.00 0.00 55.06 53.90 1x4d s HIS 46 Cb -0.03 -1.09 0.03 0.00 -1.43 0.00 0.00 32.58 30.05 1x4d s HIS 46 CO -0.14 0.67 0.02 -1.17 -2.00 0.00 0.00 174.74 172.12 1x4d s LEU 47 N -3.56 0.73 -0.12 5.38 0.20 0.12 -4.96 118.68 116.47 1x4d s LEU 47 Ca 0.30 0.01 0.00 0.00 0.69 0.00 0.00 54.13 55.13 1x4d s LEU 47 Cb -0.06 -0.22 0.02 0.00 -0.43 0.00 0.00 46.19 45.51 1x4d s LEU 47 CO 0.17 -0.17 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.33 1x4d s ILE 48 N 1.56 1.26 0.11 6.68 1.01 -1.26 -0.85 121.20 129.70 1x4d s ILE 48 Ca -0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 1x4d s ILE 48 Cb -0.13 -1.22 -0.06 0.00 0.01 0.00 0.00 42.46 41.06 1x4d s ILE 48 CO -0.03 0.41 0.50 -0.76 0.00 0.00 0.00 174.94 175.06 1x4d s LEU 49 N 1.55 4.37 0.08 2.97 1.43 -1.13 -4.98 118.68 122.97 1x4d s LEU 49 Ca 0.04 1.02 0.23 0.00 -1.03 0.00 0.00 54.13 54.38 1x4d s LEU 49 Cb -0.13 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 43.03 1x4d s LEU 49 CO -0.08 0.16 1.00 0.59 0.23 0.00 0.00 176.35 178.25 1x4d n ASN 50 N 1.03 0.61 -0.16 2.29 3.02 -1.26 -4.18 115.26 116.60 1x4d n ASN 50 Ca -0.07 -0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.34 1x4d n ASN 50 Cb 0.52 0.78 0.00 0.00 -0.61 0.00 0.00 39.78 40.47 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 0.78 0.00 3.52 1.79 -1.97 -3.47 116.57 117.23 1x4d h LYS 51 Ca 0.00 -0.21 -0.22 0.00 -2.18 0.00 0.00 60.65 58.04 1x4d h LYS 51 Cb 0.82 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.32 1x4d h LYS 51 CO 0.00 0.79 -0.20 0.44 -1.08 0.00 0.00 179.45 179.41 1x4d n ILE 52 N -4.44 0.00 -1.83 1.86 -0.00 -1.26 -5.05 119.36 108.64 1x4d n ILE 52 Ca 0.01 -1.15 -0.35 0.00 -0.00 0.00 0.00 62.75 61.26 1x4d n ILE 52 Cb 0.25 0.60 -0.02 0.00 -0.00 0.00 0.00 39.64 40.47 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 -2.22 7.30 -4.09 7.28 3.02 -1.26 -4.63 115.26 120.65 1x4d n ASN 53 Ca 0.03 -3.26 -0.32 0.00 -0.03 0.00 0.00 54.58 50.99 1x4d n ASN 53 Cb 0.30 -1.27 -0.16 0.00 -0.61 0.00 0.00 39.78 38.04 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 -1.87 2.71 0.10 3.52 2.02 -1.26 -3.62 118.70 120.30 1x4d s GLU 54 Ca 0.55 -0.92 0.04 0.00 0.02 0.00 0.00 54.97 54.66 1x4d s GLU 54 Cb 0.29 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 1x4d s GLU 54 CO -0.17 -0.30 -0.11 0.00 0.02 0.00 0.00 175.26 174.69 1x4d s ALA 55 N 1.27 1.16 -0.10 5.21 0.00 -0.87 -2.82 121.76 125.62 1x4d s ALA 55 Ca 0.02 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.76 1x4d s ALA 55 Cb -0.15 0.00 0.05 0.00 0.00 0.00 0.00 23.12 23.02 1x4d s ALA 55 CO -0.11 0.00 0.21 -0.06 0.00 0.00 0.00 175.76 175.81 1x4d s PHE 56 N -2.26 -0.28 -0.10 0.00 0.40 -0.03 -0.60 117.98 115.10 1x4d s PHE 56 Ca 0.05 0.71 -0.02 0.00 -0.60 0.00 0.00 56.93 57.07 1x4d s PHE 56 Cb -0.04 -0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.42 1x4d s PHE 56 CO 0.01 -0.24 -0.02 0.42 0.70 0.00 0.00 175.22 176.09 1x4d s ILE 57 N 1.55 4.11 -0.25 0.64 1.01 -0.86 0.16 121.20 127.55 1x4d s ILE 57 Ca -0.06 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 1x4d s ILE 57 Cb -0.11 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 1x4d s ILE 57 CO -0.08 0.57 0.04 -0.70 0.00 0.00 0.00 174.94 174.77 1x4d s GLU 58 N -0.49 3.46 0.47 2.79 2.12 0.28 -1.17 118.70 126.16 1x4d s GLU 58 Ca 0.08 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.79 1x4d s GLU 58 Cb -0.12 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 1x4d s GLU 58 CO 0.02 -0.24 0.73 -1.64 -0.54 0.00 0.00 175.26 173.59 1x4d s MET 59 N 1.55 3.26 0.32 4.30 -1.94 -1.21 -0.89 119.30 124.69 1x4d s MET 59 Ca 0.05 -0.15 0.14 0.00 -1.71 0.00 0.00 55.69 54.03 1x4d s MET 59 Cb -0.15 -2.46 0.50 0.00 2.01 0.00 0.00 34.83 34.73 1x4d s MET 59 CO 0.01 -0.26 1.67 0.00 -0.01 0.00 0.00 175.02 176.43 1x4d h ALA 60 N 0.29 0.98 -3.47 3.03 0.00 -1.87 -3.43 119.26 114.79 1x4d h ALA 60 Ca -0.47 -0.46 -0.28 0.00 0.00 0.00 0.00 54.91 53.70 1x4d h ALA 60 Cb 1.23 -0.08 -0.33 0.00 0.00 0.00 0.00 17.79 18.61 1x4d h ALA 60 CO 0.60 0.63 -0.70 0.95 0.00 0.00 0.00 179.25 180.73 1x4d s THR 61 N -3.60 -0.05 0.64 0.00 -4.23 -1.26 -5.01 115.64 102.13 1x4d s THR 61 Ca -0.01 0.20 0.22 0.00 -1.18 0.00 0.00 61.69 60.92 1x4d s THR 61 Cb 0.12 -0.11 0.26 0.00 1.34 0.00 0.00 72.50 74.10 1x4d s THR 61 CO 0.73 0.08 1.61 0.00 -0.54 0.00 0.00 174.62 176.49 1x4d h THR 62 N 6.17 0.08 -0.61 3.99 1.03 -1.85 0.35 112.91 122.07 1x4d h THR 62 Ca -0.44 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 65.98 1x4d h THR 62 Cb 1.13 0.41 -0.03 0.00 -1.07 0.00 0.00 68.15 68.58 1x4d h THR 62 CO 0.47 0.00 0.40 -0.33 -0.01 0.00 0.00 175.52 176.05 1x4d h GLU 63 N 0.00 0.77 0.15 0.00 5.08 -1.94 -1.50 114.58 117.14 1x4d h GLU 63 Ca 0.11 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1x4d h GLU 63 Cb 1.40 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1x4d h GLU 63 CO -0.00 0.51 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.01 1x4d h ASP 64 N 0.79 -0.17 -0.82 1.42 3.32 -0.49 -2.88 116.42 117.58 1x4d h ASP 64 Ca 0.23 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.42 1x4d h ASP 64 Cb -0.04 0.04 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1x4d h ASP 64 CO -0.05 0.03 -0.36 0.00 -1.72 0.00 0.00 179.24 177.14 1x4d h ALA 65 N -1.60 0.10 -0.90 3.45 0.00 -1.62 0.71 119.26 119.41 1x4d h ALA 65 Ca -0.02 0.23 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1x4d h ALA 65 Cb 0.16 0.90 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1x4d h ALA 65 CO 0.03 -0.63 0.58 1.96 0.00 0.00 0.00 179.25 181.19 1x4d h GLN 66 N -0.07 0.71 -0.37 0.00 4.20 -1.40 -1.02 115.11 117.16 1x4d h GLN 66 Ca 0.30 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 1x4d h GLN 66 Cb 0.58 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1x4d h GLN 66 CO -0.86 0.47 -0.12 0.00 -0.67 0.00 0.00 178.83 177.65 1x4d h ALA 67 N 1.59 0.51 -0.90 3.87 0.00 0.58 -2.35 119.26 122.56 1x4d h ALA 67 Ca 0.45 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1x4d h ALA 67 Cb 0.67 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1x4d h ALA 67 CO -0.21 0.40 0.60 0.00 0.00 0.00 0.00 179.25 180.03 1x4d h ALA 68 N 0.81 1.38 -0.34 0.00 0.00 0.26 -2.54 119.26 118.82 1x4d h ALA 68 Ca 0.09 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1x4d h ALA 68 Cb 0.65 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1x4d h ALA 68 CO 0.04 0.57 -0.12 0.28 0.00 0.00 0.00 179.25 180.02 1x4d h VAL 69 N 1.20 1.28 0.00 0.00 2.07 -1.24 -2.54 116.25 117.02 1x4d h VAL 69 Ca 0.34 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1x4d h VAL 69 Cb -0.10 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1x4d h VAL 69 CO -0.08 0.39 0.03 -0.67 0.02 0.00 0.00 177.57 177.26 1x4d n ASP 70 N -4.38 0.19 0.05 0.57 2.03 -0.90 -0.44 116.55 113.67 1x4d n ASP 70 Ca -0.02 0.57 -0.01 0.00 0.52 0.00 0.00 54.79 55.84 1x4d n ASP 70 Cb 0.36 -0.59 -0.07 0.00 -0.72 0.00 0.00 41.12 40.11 1x4d n ASP 70 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1x4d h TYR 71 N 0.00 0.00 0.00 -0.67 3.20 -1.30 -3.22 116.97 114.98 1x4d h TYR 71 Ca 0.00 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 1x4d h TYR 71 Cb 0.05 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1x4d h TYR 71 CO 0.00 0.65 -0.87 -0.92 -1.64 0.00 0.00 178.16 175.38 1x4d h TYR 72 N 0.00 0.00 0.00 -3.82 3.20 -0.79 0.40 116.97 115.95 1x4d h TYR 72 Ca -0.13 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.69 1x4d h TYR 72 Cb 1.61 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.87 1x4d h TYR 72 CO 0.00 0.65 -0.26 0.00 -1.64 0.00 0.00 178.16 176.91 1x4d h THR 73 N 0.00 0.46 0.00 1.81 1.03 -1.61 -3.37 112.91 111.23 1x4d h THR 73 Ca -0.05 -1.62 -0.25 0.00 -0.01 0.00 0.00 66.41 64.48 1x4d h THR 73 Cb 1.55 2.20 -0.04 0.00 -1.07 0.00 0.00 68.15 70.78 1x4d h THR 73 CO 0.08 0.26 -1.93 0.35 -0.01 0.00 0.00 175.52 174.27 1x4d n THR 74 N -3.17 0.93 -5.20 0.00 -2.24 -1.22 -5.01 114.28 98.37 1x4d n THR 74 Ca 0.03 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1x4d n THR 74 Cb 0.63 -1.18 -0.16 0.00 -2.10 0.00 0.00 70.33 67.52 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 -2.32 1.91 -0.07 4.28 2.01 0.14 -5.09 115.64 116.49 1x4d s THR 75 Ca -0.22 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.46 1x4d s THR 75 Cb 0.06 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1x4d s THR 75 CO 0.36 0.54 1.51 -2.16 -0.69 0.00 0.00 174.62 174.18 1x4d s PRO 76 N -0.49 4.21 -0.87 4.92 0.04 -1.26 -3.51 135.00 138.04 1x4d s PRO 76 Ca 0.07 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.92 1x4d s PRO 76 Cb -0.10 -3.85 0.10 0.00 0.04 0.00 0.00 34.50 30.69 1x4d s PRO 76 CO -0.00 -0.76 1.14 0.00 0.04 0.00 0.00 177.00 177.41 1x4d s ALA 77 N 3.60 3.19 -0.48 8.56 0.00 -1.26 -4.99 121.76 130.38 1x4d s ALA 77 Ca 0.67 -2.42 -0.23 0.00 0.00 0.00 0.00 51.96 49.98 1x4d s ALA 77 Cb -0.30 -4.08 0.03 0.00 0.00 0.00 0.00 23.12 18.78 1x4d s ALA 77 CO 0.25 -3.03 0.81 -0.51 0.00 0.00 0.00 175.76 173.28 1x4d s LEU 78 N 3.45 4.29 -0.21 0.00 1.43 -1.26 -2.38 118.68 124.00 1x4d s LEU 78 Ca 0.32 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 1x4d s LEU 78 Cb -0.07 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 1x4d s LEU 78 CO -0.04 -1.00 0.40 -0.69 0.23 0.00 0.00 176.35 175.26 1x4d s VAL 79 N 3.39 5.19 0.00 -1.59 1.01 0.46 -4.04 120.40 124.82 1x4d s VAL 79 Ca 0.28 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1x4d s VAL 79 Cb -0.13 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1x4d s VAL 79 CO 0.20 0.23 0.00 0.49 0.00 0.00 0.00 175.10 176.03 1x4d n PHE 80 N 4.64 0.00 0.00 5.22 3.72 -1.26 -1.43 117.46 128.34 1x4d n PHE 80 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1x4d n PHE 80 Cb 0.51 -1.27 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 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 -1.03 2.04 3.55 1.37 0.00 -1.26 -5.10 105.19 104.77 1x4d n GLY 81 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.17 2.12 0.53 1.61 0.00 -0.52 -4.97 119.74 118.34 1x4d s LYS 82 Ca 0.00 -1.01 -0.20 0.00 0.00 0.00 0.00 55.97 54.76 1x4d s LYS 82 Cb 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 37.83 35.48 1x4d s LYS 82 CO 0.00 0.52 1.13 -1.25 0.00 0.00 0.00 175.35 175.75 1x4d s PRO 83 N -2.02 3.44 0.05 1.78 0.04 -1.26 0.17 135.00 137.19 1x4d s PRO 83 Ca 0.20 1.64 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1x4d s PRO 83 Cb -0.11 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 1x4d s PRO 83 CO 0.12 -0.79 0.03 1.33 0.04 0.00 0.00 177.00 177.73 1x4d n VAL 84 N -1.15 0.00 -4.78 -0.36 0.24 -1.00 -4.79 118.33 106.49 1x4d n VAL 84 Ca 0.11 -0.32 -0.33 0.00 -2.04 0.00 0.00 64.34 61.75 1x4d n VAL 84 Cb 0.50 0.15 -0.12 0.00 -1.47 0.00 0.00 33.84 32.90 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 -2.19 2.61 -0.08 7.34 0.52 -0.20 -4.81 118.95 122.14 1x4d s ARG 85 Ca 0.05 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1x4d s ARG 85 Cb 0.00 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 33.03 1x4d s ARG 85 CO 0.03 0.64 -0.02 0.08 0.02 0.00 0.00 175.30 176.05 1x4d s VAL 86 N -0.77 0.54 0.34 3.52 1.01 -1.26 -2.42 120.40 121.36 1x4d s VAL 86 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1x4d s VAL 86 Cb -0.11 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1x4d s VAL 86 CO 0.01 0.28 0.08 -1.00 0.00 0.00 0.00 175.10 174.47 1x4d s HIS 87 N 1.79 1.86 -0.60 5.22 3.76 0.08 -4.97 115.29 122.43 1x4d s HIS 87 Ca 0.03 -1.07 0.04 0.00 -0.15 0.00 0.00 55.06 53.92 1x4d s HIS 87 Cb -0.13 -1.20 0.15 0.00 1.11 0.00 0.00 32.58 32.52 1x4d s HIS 87 CO -0.05 -0.11 0.39 -1.17 -0.85 0.00 0.00 174.74 172.94 1x4d s LEU 88 N -3.49 4.27 0.00 0.89 1.98 -1.26 -1.89 118.68 119.17 1x4d s LEU 88 Ca 0.34 -3.43 -0.04 0.00 -2.89 0.00 0.00 54.13 48.11 1x4d s LEU 88 Cb 0.07 -1.51 0.06 0.00 0.66 0.00 0.00 46.19 45.46 1x4d s LEU 88 CO 0.15 -0.15 0.12 -1.20 -1.89 0.00 0.00 176.35 173.38 1x4d n SER 89 N 2.53 -2.01 0.00 3.68 7.64 0.39 -4.91 113.62 120.94 1x4d n SER 89 Ca 0.15 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1x4d n SER 89 Cb 0.35 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1x4d n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4d n GLN 90 N -2.08 0.00 -4.62 1.43 10.64 -1.26 -4.31 117.38 117.17 1x4d n GLN 90 Ca 0.02 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.91 1x4d n GLN 90 Cb 0.09 -0.29 -0.09 0.00 -0.86 0.00 0.00 30.24 29.09 1x4d n GLN 90 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1x4d s LYS 91 N -1.37 2.00 0.00 2.61 0.00 -1.26 -4.61 119.74 117.11 1x4d s LYS 91 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 55.97 53.76 1x4d s LYS 91 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 37.83 36.62 1x4d s LYS 91 CO 0.00 -0.31 0.00 0.98 0.00 0.00 0.00 175.35 176.02 1x4d n TYR 92 N -1.03 0.00 0.00 1.78 9.36 -1.26 -5.05 117.16 120.96 1x4d n TYR 92 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 1x4d n TYR 92 Cb 0.66 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.37 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 3.00 -1.26 -5.05 118.16 117.83 1x4d n LYS 93 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1x4d n LYS 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1x4d n LYS 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1x4d n ARG 94 N -1.61 0.00 0.00 1.64 0.00 -1.26 -5.05 116.66 110.38 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 0.00 0.00 -1.50 5.15 5.41 -1.26 -4.86 119.36 122.30 1x4d n ILE 95 Ca 0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 1x4d n ILE 95 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.85 1x4d n ILE 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1x4d n LYS 96 N 0.00 0.76 -2.76 0.38 4.81 -1.26 -3.24 118.16 116.85 1x4d n LYS 96 Ca 0.00 0.10 -0.01 0.00 -0.87 0.00 0.00 58.31 57.53 1x4d n LYS 96 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 32.49 1x4d n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1x4d n SER 97 N 12.32 -7.97 0.00 3.14 2.88 -1.26 -5.03 113.62 117.70 1x4d n SER 97 Ca 0.47 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 59.29 1x4d n SER 97 Cb 0.29 -5.18 0.00 0.00 -0.75 0.00 0.00 64.21 58.57 1x4d n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4d n GLY 98 N 0.61 -0.08 3.77 0.46 0.00 -1.20 -4.95 105.19 103.80 1x4d n GLY 98 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1x4d n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4d s PRO 99 N -0.64 4.39 0.07 1.61 0.04 -1.26 -4.87 135.00 134.33 1x4d s PRO 99 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1x4d s PRO 99 Cb 0.00 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1x4d s PRO 99 CO 0.00 -0.09 0.00 0.45 0.04 0.00 0.00 177.00 177.40 1x4d n SER 100 N 0.79 -0.48 -0.91 6.66 2.88 -1.26 -5.17 113.62 116.14 1x4d n SER 100 Ca 0.00 0.13 0.12 0.00 -1.33 0.00 0.00 58.87 57.79 1x4d n SER 100 Cb 0.43 0.71 -0.03 0.00 -0.75 0.00 0.00 64.21 64.58 1x4d n SER 100 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x4d n SER 101 N -2.67 -5.13 -0.67 -3.46 3.41 -1.26 -5.32 113.62 98.52 1x4d n SER 101 Ca 0.00 0.41 0.13 0.00 -0.26 0.00 0.00 58.87 59.15 1x4d n SER 101 Cb 0.00 -2.95 0.35 0.00 -0.26 0.00 0.00 64.21 61.35 1x4d n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49