#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4s n SER 2 N 0.00 0.03 -4.81 0.00 3.41 -1.26 -5.04 113.62 105.96 1j4s n SER 2 Ca 0.00 1.15 -0.22 0.00 -0.26 0.00 0.00 58.87 59.53 1j4s n SER 2 Cb 0.00 -1.01 0.08 0.00 -0.26 0.00 0.00 64.21 63.02 1j4s n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j4s s GLN 3 N -0.37 2.02 0.25 4.33 -2.07 -1.26 -5.08 119.66 117.48 1j4s s GLN 3 Ca 0.78 -1.05 -0.03 0.00 -1.82 0.00 0.00 55.36 53.25 1j4s s GLN 3 Cb -1.06 -2.41 -0.02 0.00 -1.09 0.00 0.00 33.01 28.43 1j4s s GLN 3 CO 0.55 -1.16 0.28 0.95 -1.32 0.00 0.00 175.29 174.60 1j4s s THR 4 N -2.98 0.00 -0.13 3.63 -4.23 -1.26 -5.11 115.64 105.56 1j4s s THR 4 Ca 0.63 -1.81 -0.29 0.00 -1.18 0.00 0.00 61.69 59.04 1j4s s THR 4 Cb -0.07 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 1j4s s THR 4 CO 0.42 0.00 1.05 -0.63 -0.54 0.00 0.00 174.62 174.92 1j4s s ILE 5 N -3.85 4.67 -0.59 2.99 1.01 -1.22 -4.88 121.20 119.33 1j4s s ILE 5 Ca 0.34 1.96 -0.02 0.00 0.00 0.00 0.00 60.65 62.94 1j4s s ILE 5 Cb 0.03 -4.26 0.15 0.00 0.01 0.00 0.00 42.46 38.39 1j4s s ILE 5 CO 0.15 -0.05 0.39 -0.89 0.00 0.00 0.00 174.94 174.54 1j4s s THR 6 N 2.41 3.47 -0.13 2.92 2.01 -1.26 -0.29 115.64 124.77 1j4s s THR 6 Ca 0.48 -2.98 -0.18 0.00 0.31 0.00 0.00 61.69 59.33 1j4s s THR 6 Cb -0.18 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1j4s s THR 6 CO 0.15 -0.85 0.48 0.54 -0.69 0.00 0.00 174.62 174.25 1j4s s VAL 7 N -0.04 5.18 -0.00 3.82 0.11 -1.26 -4.93 120.40 123.28 1j4s s VAL 7 Ca 0.16 0.95 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 1j4s s VAL 7 Cb -0.21 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.82 1j4s s VAL 7 CO -0.03 0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 1j4s n GLY 8 N 3.34 0.02 1.94 6.54 0.00 -1.26 -3.03 105.19 112.74 1j4s n GLY 8 Ca -0.07 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 1j4s n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j4s n SER 9 N 0.00 -3.18 -4.42 1.61 2.88 -1.15 -4.96 113.62 104.40 1j4s n SER 9 Ca 0.00 0.52 -0.39 0.00 -1.33 0.00 0.00 58.87 57.68 1j4s n SER 9 Cb 0.00 -2.61 -0.12 0.00 -0.75 0.00 0.00 64.21 60.73 1j4s n SER 9 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1j4s s TRP 10 N -0.48 3.19 0.00 0.66 0.51 0.14 -4.87 118.94 118.09 1j4s s TRP 10 Ca -0.04 -0.65 0.00 0.00 -2.12 0.00 0.00 56.10 53.29 1j4s s TRP 10 Cb 0.00 -2.36 0.00 0.00 -0.81 0.00 0.00 33.47 30.30 1j4s s TRP 10 CO 0.29 -0.49 0.00 0.41 -0.51 0.00 0.00 176.95 176.65 1j4s n GLY 11 N 4.98 -0.46 3.46 0.98 0.00 -1.26 -0.61 105.19 112.27 1j4s n GLY 11 Ca -0.14 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1j4s n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j4s s GLY 12 N 0.00 2.41 0.52 -0.02 0.00 -0.68 -4.83 107.32 104.71 1j4s s GLY 12 Ca 0.00 -1.49 0.33 0.00 0.00 0.00 0.00 44.72 43.56 1j4s s GLY 12 CO 0.00 -1.76 1.99 -0.56 0.00 0.00 0.00 173.10 172.77 1j4s h PRO 13 N 1.94 0.00 0.00 2.90 0.13 -1.89 -3.41 132.00 131.67 1j4s h PRO 13 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1j4s h PRO 13 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1j4s h PRO 13 CO 0.57 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 1j4s n GLY 14 N -0.19 3.23 2.31 1.56 0.00 -1.26 -5.02 105.19 105.82 1j4s n GLY 14 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1j4s n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4s n GLY 15 N 5.00 -1.78 2.97 -0.02 0.00 -1.26 -4.65 105.19 105.45 1j4s n GLY 15 Ca 0.00 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 1j4s n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j4s s ASN 16 N -4.00 2.11 0.27 1.61 0.02 0.12 -4.75 114.94 110.31 1j4s s ASN 16 Ca 0.00 -0.33 -0.30 0.00 -1.02 0.00 0.00 52.86 51.21 1j4s s ASN 16 Cb 0.00 -0.89 -0.11 0.00 0.02 0.00 0.00 41.25 40.27 1j4s s ASN 16 CO 0.00 -0.04 1.58 -0.83 0.02 0.00 0.00 177.10 177.83 1j4s s GLY 17 N 1.23 2.00 -0.03 0.66 0.00 -1.26 -1.66 107.32 108.26 1j4s s GLY 17 Ca -0.03 1.52 -0.00 0.00 0.00 0.00 0.00 44.72 46.20 1j4s s GLY 17 CO -0.03 2.55 0.02 0.66 0.00 0.00 0.00 173.10 176.30 1j4s s TRP 18 N 0.21 0.22 -0.26 1.90 -2.14 -0.18 -4.96 118.94 113.73 1j4s s TRP 18 Ca 0.64 0.08 -0.00 0.00 2.66 0.00 0.00 56.10 59.48 1j4s s TRP 18 Cb -0.47 -0.43 0.04 0.00 -3.10 0.00 0.00 33.47 29.51 1j4s s TRP 18 CO 0.44 -0.16 -0.08 0.34 -2.66 0.00 0.00 176.95 174.84 1j4s s ASP 19 N 1.42 4.35 0.37 -2.66 -1.08 -1.26 -2.43 116.67 115.38 1j4s s ASP 19 Ca -0.04 -1.08 0.20 0.00 -0.52 0.00 0.00 52.55 51.10 1j4s s ASP 19 Cb -0.13 -1.62 0.41 0.00 -1.46 0.00 0.00 42.92 40.12 1j4s s ASP 19 CO -0.03 -0.16 1.61 -0.33 0.52 0.00 0.00 175.17 176.78 1j4s h GLU 20 N 7.93 0.00 0.00 4.34 5.08 -1.78 -3.50 114.58 126.66 1j4s h GLU 20 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1j4s h GLU 20 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1j4s h GLU 20 CO 0.54 0.29 0.00 0.41 -1.00 0.00 0.00 179.01 179.25 1j4s n GLY 21 N 0.86 -0.88 3.17 -3.84 0.00 -1.26 -4.94 105.19 98.29 1j4s n GLY 21 Ca 0.02 -1.98 -0.23 0.00 0.00 0.00 0.00 46.02 43.82 1j4s n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4s s SER 22 N -4.00 1.96 0.12 1.61 0.01 -1.26 -4.02 113.70 108.11 1j4s s SER 22 Ca 0.00 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.88 1j4s s SER 22 Cb 0.00 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 1j4s s SER 22 CO 0.00 0.14 0.12 -1.22 0.41 0.00 0.00 173.24 172.69 1j4s n TYR 23 N 2.23 -0.42 0.10 2.43 4.02 -0.68 -5.01 117.16 119.84 1j4s n TYR 23 Ca -0.16 -0.93 -0.05 0.00 -0.01 0.00 0.00 57.90 56.75 1j4s n TYR 23 Cb 0.54 0.13 0.09 0.00 -0.02 0.00 0.00 39.34 40.08 1j4s n TYR 23 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1j4s h THR 24 N 1.37 1.45 0.00 -0.72 2.02 -1.75 -3.45 112.91 111.83 1j4s h THR 24 Ca -0.09 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1j4s h THR 24 Cb 0.42 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1j4s h THR 24 CO 0.12 0.66 0.00 0.61 0.37 0.00 0.00 175.52 177.28 1j4s n GLY 25 N 0.46 0.28 3.87 2.16 0.00 -1.25 -4.95 105.19 105.77 1j4s n GLY 25 Ca -0.02 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1j4s n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4s s ILE 26 N -2.00 5.28 -0.08 -0.61 1.09 -1.26 -0.38 121.20 123.23 1j4s s ILE 26 Ca 0.00 0.32 -0.02 0.00 -1.10 0.00 0.00 60.65 59.84 1j4s s ILE 26 Cb 0.00 -3.57 -0.04 0.00 -1.06 0.00 0.00 42.46 37.79 1j4s s ILE 26 CO 0.00 0.45 -0.09 0.54 -0.10 0.00 0.00 174.94 175.73 1j4s n ARG 27 N 1.39 0.19 -3.83 2.79 1.74 -0.56 -4.78 116.66 113.60 1j4s n ARG 27 Ca -0.13 0.07 -0.13 0.00 -0.77 0.00 0.00 57.85 56.88 1j4s n ARG 27 Cb 0.53 -0.96 -0.15 0.00 -1.02 0.00 0.00 32.46 30.87 1j4s n ARG 27 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1j4s s GLN 28 N -2.16 0.00 -0.11 5.56 0.74 -0.92 -1.67 119.66 121.10 1j4s s GLN 28 Ca -0.12 0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.40 1j4s s GLN 28 Cb 0.04 -0.08 -0.01 0.00 1.10 0.00 0.00 33.01 34.06 1j4s s GLN 28 CO 0.17 -0.06 -0.18 0.42 -0.55 0.00 0.00 175.29 175.08 1j4s s ILE 29 N 0.40 2.59 -0.22 -2.34 1.01 0.01 -1.82 121.20 120.83 1j4s s ILE 29 Ca -0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1j4s s ILE 29 Cb -0.05 -2.04 0.06 0.00 0.01 0.00 0.00 42.46 40.44 1j4s s ILE 29 CO -0.01 0.54 -0.01 -0.70 0.00 0.00 0.00 174.94 174.76 1j4s s GLU 30 N 0.27 1.15 0.23 2.79 2.12 -0.73 0.88 118.70 125.41 1j4s s GLU 30 Ca -0.13 -0.72 0.09 0.00 0.36 0.00 0.00 54.97 54.57 1j4s s GLU 30 Cb -0.16 -2.36 -0.05 0.00 0.26 0.00 0.00 34.13 31.82 1j4s s GLU 30 CO 0.07 -0.63 -0.16 -0.48 -0.54 0.00 0.00 175.26 173.52 1j4s s LEU 31 N 1.62 2.57 -0.03 2.70 0.05 -1.07 -2.75 118.68 121.76 1j4s s LEU 31 Ca -0.03 -1.03 0.03 0.00 0.05 0.00 0.00 54.13 53.15 1j4s s LEU 31 Cb -0.18 -0.82 -0.03 0.00 -2.05 0.00 0.00 46.19 43.11 1j4s s LEU 31 CO -0.07 -0.10 -0.09 -0.94 -0.55 0.00 0.00 176.35 174.59 1j4s s SER 32 N -3.38 4.45 0.25 1.48 1.04 -1.00 -1.49 113.70 115.05 1j4s s SER 32 Ca 0.25 -0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.43 1j4s s SER 32 Cb -0.02 -1.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.07 1j4s s SER 32 CO 0.10 0.32 0.46 -0.72 0.98 0.00 0.00 173.24 174.37 1j4s s TYR 33 N -0.88 0.45 0.00 5.02 1.13 0.13 -0.60 117.35 122.61 1j4s s TYR 33 Ca 0.14 -0.80 0.00 0.00 -1.41 0.00 0.00 57.07 55.00 1j4s s TYR 33 Cb -0.11 0.13 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 1j4s s TYR 33 CO 0.04 -0.98 0.00 1.17 -2.51 0.00 0.00 175.55 173.27 1j4s n LYS 34 N -0.38 0.00 0.00 -3.49 3.00 -1.26 0.20 118.16 116.23 1j4s n LYS 34 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.37 1j4s n LYS 34 Cb 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.57 1j4s n LYS 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1j4s n GLU 35 N 0.00 1.64 -4.14 1.64 4.71 -1.26 -4.00 120.64 119.23 1j4s n GLU 35 Ca 0.00 -0.07 -0.15 0.00 -0.01 0.00 0.00 57.16 56.93 1j4s n GLU 35 Cb 0.00 -1.27 -0.06 0.00 -1.01 0.00 0.00 31.44 29.10 1j4s n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j4s s ALA 36 N -2.49 1.01 -0.06 0.62 0.00 -1.25 -3.04 121.76 116.55 1j4s s ALA 36 Ca 0.07 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 50.28 1j4s s ALA 36 Cb 0.12 1.25 -0.05 0.00 0.00 0.00 0.00 23.12 24.45 1j4s s ALA 36 CO 0.65 -0.74 0.31 0.42 0.00 0.00 0.00 175.76 176.39 1j4s s ILE 37 N -3.33 5.22 -0.00 0.00 -1.09 -0.91 -4.41 121.20 116.67 1j4s s ILE 37 Ca 0.33 0.60 -0.02 0.00 -2.23 0.00 0.00 60.65 59.34 1j4s s ILE 37 Cb 0.01 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1j4s s ILE 37 CO 0.20 0.57 -0.03 0.61 -1.23 0.00 0.00 174.94 175.06 1j4s n GLY 38 N 2.05 -0.16 3.85 6.18 0.00 0.23 -2.16 105.19 115.18 1j4s n GLY 38 Ca -0.16 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1j4s n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4s s SER 39 N -4.86 6.77 -0.17 1.61 0.01 -1.22 -2.60 113.70 113.23 1j4s s SER 39 Ca -0.03 1.06 -0.06 0.00 1.31 0.00 0.00 55.95 58.24 1j4s s SER 39 Cb 0.00 -2.28 0.08 0.00 0.21 0.00 0.00 66.02 64.03 1j4s s SER 39 CO 0.04 0.01 0.35 0.12 0.41 0.00 0.00 173.24 174.17 1j4s s PHE 40 N -1.63 -0.63 -0.01 2.43 5.36 -1.01 -2.36 117.98 120.12 1j4s s PHE 40 Ca 0.43 1.25 -0.10 0.00 -0.96 0.00 0.00 56.93 57.54 1j4s s PHE 40 Cb -0.13 0.14 0.01 0.00 -0.34 0.00 0.00 43.02 42.70 1j4s s PHE 40 CO 0.20 -0.44 0.21 -1.54 -1.46 0.00 0.00 175.22 172.19 1j4s s SER 41 N 2.53 -0.09 0.07 6.13 1.04 -1.11 -1.98 113.70 120.29 1j4s s SER 41 Ca 0.00 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.45 1j4s s SER 41 Cb -0.12 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 1j4s s SER 41 CO -0.11 -0.36 -0.10 0.54 0.98 0.00 0.00 173.24 174.19 1j4s s VAL 42 N -1.18 0.79 -0.40 5.02 0.11 -1.26 -1.77 120.40 121.71 1j4s s VAL 42 Ca -0.13 -1.40 -0.01 0.00 -2.93 0.00 0.00 61.98 57.51 1j4s s VAL 42 Cb -0.06 -1.05 0.11 0.00 -1.53 0.00 0.00 36.38 33.84 1j4s s VAL 42 CO 0.02 -0.47 0.18 -0.63 -3.33 0.00 0.00 175.10 170.88 1j4s s ILE 43 N -1.96 3.07 0.88 7.04 1.01 -0.76 -0.33 121.20 130.16 1j4s s ILE 43 Ca -0.01 -2.15 -0.13 0.00 0.00 0.00 0.00 60.65 58.35 1j4s s ILE 43 Cb -0.06 -3.13 0.13 0.00 0.01 0.00 0.00 42.46 39.41 1j4s s ILE 43 CO 0.00 -0.68 1.21 -0.31 0.00 0.00 0.00 174.94 175.16 1j4s s TYR 44 N 1.05 2.41 -0.19 3.97 2.02 0.27 -1.50 117.35 125.37 1j4s s TYR 44 Ca 0.09 0.63 -0.05 0.00 -0.37 0.00 0.00 57.07 57.37 1j4s s TYR 44 Cb -0.22 -3.66 -0.03 0.00 -0.40 0.00 0.00 41.96 37.65 1j4s s TYR 44 CO -0.05 -2.19 0.01 0.34 -1.57 0.00 0.00 175.55 172.09 1j4s s ASP 45 N -4.56 5.00 -0.51 2.29 2.15 0.49 -0.25 116.67 121.28 1j4s s ASP 45 Ca 0.66 -0.14 0.02 0.00 0.43 0.00 0.00 52.55 53.52 1j4s s ASP 45 Cb -0.09 -1.85 0.13 0.00 -0.30 0.00 0.00 42.92 40.80 1j4s s ASP 45 CO 0.51 0.09 0.27 -0.22 -0.17 0.00 0.00 175.17 175.65 1j4s s LEU 46 N 0.85 4.61 -1.47 -1.34 2.96 0.28 -2.47 118.68 122.10 1j4s s LEU 46 Ca 0.01 -2.82 -0.03 0.00 -0.22 0.00 0.00 54.13 51.08 1j4s s LEU 46 Cb -0.14 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1j4s s LEU 46 CO 0.02 -0.29 0.35 0.59 -1.32 0.00 0.00 176.35 175.69 1j4s n ASN 47 N 3.41 -5.58 0.00 3.68 5.03 -1.26 -2.63 115.26 117.90 1j4s n ASN 47 Ca 0.05 -0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.33 1j4s n ASN 47 Cb 0.35 -4.49 0.00 0.00 -1.02 0.00 0.00 39.78 34.62 1j4s n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j4s n GLY 48 N -1.29 2.85 3.67 7.41 0.00 -1.26 -5.08 105.19 111.49 1j4s n GLY 48 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1j4s n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4s s ASP 49 N -1.34 4.71 0.27 1.61 1.01 -1.08 -5.11 116.67 116.75 1j4s s ASP 49 Ca 0.00 -0.53 -0.29 0.00 0.71 0.00 0.00 52.55 52.44 1j4s s ASP 49 Cb 0.00 -0.95 -0.09 0.00 1.01 0.00 0.00 42.92 42.88 1j4s s ASP 49 CO 0.00 0.02 0.97 -2.84 0.21 0.00 0.00 175.17 173.53 1j4s s PRO 50 N -3.46 4.75 -0.09 8.23 0.02 -1.26 0.10 135.00 143.29 1j4s s PRO 50 Ca 0.30 1.50 0.02 0.00 0.02 0.00 0.00 61.00 62.84 1j4s s PRO 50 Cb -0.07 -3.14 0.02 0.00 0.02 0.00 0.00 34.50 31.32 1j4s s PRO 50 CO 0.20 0.40 -0.12 0.12 -0.33 0.00 0.00 177.00 177.27 1j4s s PHE 51 N -1.29 1.61 -0.54 6.54 5.36 0.66 -4.77 117.98 125.55 1j4s s PHE 51 Ca 0.44 -0.68 -0.23 0.00 -0.96 0.00 0.00 56.93 55.49 1j4s s PHE 51 Cb -0.25 -1.20 0.04 0.00 -0.34 0.00 0.00 43.02 41.27 1j4s s PHE 51 CO 0.31 -0.38 0.89 -1.12 -1.46 0.00 0.00 175.22 173.46 1j4s s SER 52 N 0.96 6.32 0.92 6.13 0.01 -1.26 0.95 113.70 127.73 1j4s s SER 52 Ca -0.08 -0.43 -0.10 0.00 1.31 0.00 0.00 55.95 56.65 1j4s s SER 52 Cb -0.15 -2.41 0.15 0.00 0.21 0.00 0.00 66.02 63.82 1j4s s SER 52 CO -0.00 -1.16 1.14 -0.83 0.41 0.00 0.00 173.24 172.80 1j4s s GLY 53 N 2.79 1.68 0.83 3.44 0.00 0.55 -4.94 107.32 111.67 1j4s s GLY 53 Ca 0.28 0.55 -0.13 0.00 0.00 0.00 0.00 44.72 45.42 1j4s s GLY 53 CO 0.18 0.98 1.20 -4.14 0.00 0.00 0.00 173.10 171.32 1j4s s PRO 54 N -4.66 1.51 0.12 2.90 0.02 -1.26 -4.52 135.00 129.11 1j4s s PRO 54 Ca 0.67 1.74 -0.03 0.00 0.02 0.00 0.00 61.00 63.40 1j4s s PRO 54 Cb -0.23 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 1j4s s PRO 54 CO 0.58 -2.31 0.33 0.15 -0.33 0.00 0.00 177.00 175.42 1j4s s LYS 55 N -4.21 3.56 -0.50 5.54 -0.14 -1.26 -4.40 119.74 118.34 1j4s s LYS 55 Ca 0.72 -0.21 0.08 0.00 -1.36 0.00 0.00 55.97 55.20 1j4s s LYS 55 Cb -0.28 -2.90 0.30 0.00 -1.68 0.00 0.00 37.83 33.27 1j4s s LYS 55 CO 0.52 0.50 0.75 0.72 -0.76 0.00 0.00 175.35 177.08 1j4s n HIS 56 N 0.10 1.95 -2.45 3.18 8.25 -0.84 -5.01 115.22 120.39 1j4s n HIS 56 Ca -0.03 -3.89 -0.41 0.00 -0.26 0.00 0.00 57.72 53.13 1j4s n HIS 56 Cb 0.52 -0.46 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 1j4s n HIS 56 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1j4s s THR 57 N -2.72 3.51 0.24 1.59 -1.32 -1.26 -2.40 115.64 113.28 1j4s s THR 57 Ca 0.41 1.45 -0.01 0.00 -1.21 0.00 0.00 61.69 62.34 1j4s s THR 57 Cb 0.24 -3.93 -0.04 0.00 -1.51 0.00 0.00 72.50 67.26 1j4s s THR 57 CO -0.09 0.32 0.44 -0.55 -2.21 0.00 0.00 174.62 172.53 1j4s s SER 58 N -0.63 6.38 -0.02 8.08 0.15 -1.26 -4.90 113.70 121.50 1j4s s SER 58 Ca 0.46 0.44 0.09 0.00 0.70 0.00 0.00 55.95 57.65 1j4s s SER 58 Cb -0.32 -2.03 -0.23 0.00 -1.71 0.00 0.00 66.02 61.73 1j4s s SER 58 CO 0.40 -0.11 0.76 0.50 1.20 0.00 0.00 173.24 175.99 1j4s h LYS 59 N 1.73 0.03 -6.34 5.44 3.64 -1.95 -3.46 116.57 115.66 1j4s h LYS 59 Ca -0.48 -0.06 -0.64 0.00 -1.27 0.00 0.00 60.65 58.20 1j4s h LYS 59 Cb 1.20 0.02 0.04 0.00 -0.41 0.00 0.00 32.23 33.08 1j4s h LYS 59 CO 0.66 0.66 0.79 1.28 -2.27 0.00 0.00 179.45 180.57 1j4s n LEU 60 N -3.15 2.69 -4.03 5.20 7.99 -1.26 -4.81 117.00 119.62 1j4s n LEU 60 Ca -0.15 1.07 -0.36 0.00 -0.01 0.00 0.00 56.01 56.56 1j4s n LEU 60 Cb 1.03 -1.31 -0.07 0.00 -0.11 0.00 0.00 43.42 42.96 1j4s n LEU 60 CO 0.46 -0.46 1.75 -2.65 -1.51 0.00 0.00 177.39 174.97 1j4s n PRO 61 N 4.15 1.29 -3.15 3.23 -0.02 -1.26 -4.94 135.00 134.30 1j4s n PRO 61 Ca 0.20 -1.98 -0.19 0.00 -2.02 0.00 0.00 63.50 59.51 1j4s n PRO 61 Cb 0.24 -3.25 0.01 0.00 -0.02 0.00 0.00 33.50 30.48 1j4s n PRO 61 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1j4s s TYR 62 N 8.32 2.96 0.25 6.00 2.02 -1.26 -5.02 117.35 130.62 1j4s s TYR 62 Ca 0.64 -0.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.80 1j4s s TYR 62 Cb 0.08 -2.27 -0.10 0.00 -0.40 0.00 0.00 41.96 39.27 1j4s s TYR 62 CO 0.16 -0.31 1.36 -1.59 -1.57 0.00 0.00 175.55 173.60 1j4s s LYS 63 N -4.34 4.34 0.02 -0.62 0.00 0.54 -4.55 119.74 115.13 1j4s s LYS 63 Ca 0.51 2.18 0.01 0.00 0.00 0.00 0.00 55.97 58.67 1j4s s LYS 63 Cb -0.10 -3.14 -0.04 0.00 0.00 0.00 0.00 37.83 34.56 1j4s s LYS 63 CO 0.33 -0.30 0.07 -0.80 0.00 0.00 0.00 175.35 174.66 1j4s s ASN 64 N 0.16 5.56 0.06 0.03 -0.87 -1.26 0.22 114.94 118.84 1j4s s ASN 64 Ca 0.56 0.08 -0.00 0.00 -1.57 0.00 0.00 52.86 51.92 1j4s s ASN 64 Cb -0.39 -1.55 -0.04 0.00 -0.02 0.00 0.00 41.25 39.25 1j4s s ASN 64 CO 0.43 0.24 -0.04 0.68 -2.57 0.00 0.00 177.10 175.84 1j4s s VAL 65 N -1.25 0.33 -0.12 1.60 -7.23 -0.55 -5.01 120.40 108.17 1j4s s VAL 65 Ca 0.25 -1.70 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 1j4s s VAL 65 Cb -0.12 -1.36 0.04 0.00 0.56 0.00 0.00 36.38 35.50 1j4s s VAL 65 CO 0.16 -0.88 0.03 -0.54 -0.31 0.00 0.00 175.10 173.56 1j4s s LYS 66 N -3.50 0.51 -0.25 4.82 1.02 -1.26 -2.61 119.74 118.47 1j4s s LYS 66 Ca 0.05 -0.08 -0.13 0.00 0.02 0.00 0.00 55.97 55.83 1j4s s LYS 66 Cb 0.04 -1.43 -0.04 0.00 -0.52 0.00 0.00 37.83 35.88 1j4s s LYS 66 CO -0.07 -0.46 0.27 0.42 -0.92 0.00 0.00 175.35 174.58 1j4s s ILE 67 N 1.97 5.27 -0.76 2.17 1.01 0.25 -4.96 121.20 126.15 1j4s s ILE 67 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1j4s s ILE 67 Cb -0.14 -3.60 0.19 0.00 0.01 0.00 0.00 42.46 38.91 1j4s s ILE 67 CO -0.06 0.25 0.60 -1.61 0.00 0.00 0.00 174.94 174.11 1j4s s GLU 68 N 1.56 2.82 0.50 2.79 0.41 -1.26 -0.81 118.70 124.71 1j4s s GLU 68 Ca 0.11 -3.11 -0.23 0.00 -0.41 0.00 0.00 54.97 51.34 1j4s s GLU 68 Cb -0.15 -3.72 -0.07 0.00 -1.78 0.00 0.00 34.13 28.41 1j4s s GLU 68 CO 0.08 -1.24 1.26 1.28 -0.49 0.00 0.00 175.26 176.15 1j4s n LEU 69 N 2.51 4.55 -4.47 1.80 7.99 -0.67 -4.87 117.00 123.84 1j4s n LEU 69 Ca 0.17 1.01 -0.43 0.00 -0.01 0.00 0.00 56.01 56.75 1j4s n LEU 69 Cb 0.36 -1.51 -0.03 0.00 -0.11 0.00 0.00 43.42 42.12 1j4s n LEU 69 CO 0.33 -0.81 0.89 -1.59 -1.51 0.00 0.00 177.39 174.70 1j4s s LYS 70 N -2.55 3.25 0.00 3.23 -2.85 -1.26 -4.83 119.74 114.73 1j4s s LYS 70 Ca 0.67 -0.98 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 1j4s s LYS 70 Cb -0.46 -4.44 0.00 0.00 -2.06 0.00 0.00 37.83 30.87 1j4s s LYS 70 CO 0.53 -1.87 0.00 0.34 0.10 0.00 0.00 175.35 174.45 1j4s n PHE 71 N 7.72 -0.30 0.00 1.78 7.35 -1.26 -0.91 117.46 131.84 1j4s n PHE 71 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1j4s n PHE 71 Cb 0.47 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.30 1j4s n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1j4s n PRO 72 N -0.11 0.00 0.29 -7.13 -0.04 -1.26 -2.84 135.00 123.91 1j4s n PRO 72 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1j4s n PRO 72 Cb 0.00 0.00 0.87 0.00 -0.04 0.00 0.00 33.50 34.33 1j4s n PRO 72 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1j4s h ASP 73 N 0.00 0.00 -3.73 3.54 3.32 -2.02 -3.41 116.42 114.13 1j4s h ASP 73 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 1j4s h ASP 73 Cb 0.00 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.23 1j4s h ASP 73 CO 0.00 0.02 -0.88 -0.70 -1.72 0.00 0.00 179.24 175.96 1j4s s GLU 74 N -4.60 2.77 0.02 3.56 2.12 -0.09 -4.80 118.70 117.69 1j4s s GLU 74 Ca -0.05 -0.89 -0.13 0.00 0.36 0.00 0.00 54.97 54.27 1j4s s GLU 74 Cb 0.15 -2.24 0.02 0.00 0.26 0.00 0.00 34.13 32.32 1j4s s GLU 74 CO 0.56 0.30 0.27 -0.59 -0.54 0.00 0.00 175.26 175.27 1j4s s PHE 75 N 0.04 -0.09 0.60 5.30 -0.12 -1.26 -4.53 117.98 117.93 1j4s s PHE 75 Ca -0.10 -0.00 -0.18 0.00 -0.05 0.00 0.00 56.93 56.60 1j4s s PHE 75 Cb -0.15 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.27 1j4s s PHE 75 CO 0.06 -0.44 1.18 -0.51 -0.05 0.00 0.00 175.22 175.45 1j4s s LEU 76 N -1.82 3.63 0.00 -1.99 2.01 -1.26 -2.11 118.68 117.13 1j4s s LEU 76 Ca -0.08 2.29 0.00 0.00 0.01 0.00 0.00 54.13 56.35 1j4s s LEU 76 Cb -0.02 -4.59 0.00 0.00 0.01 0.00 0.00 46.19 41.59 1j4s s LEU 76 CO -0.01 -1.55 0.88 -1.84 1.01 0.00 0.00 176.35 174.84 1j4s n GLU 77 N -1.68 2.25 -3.64 1.70 0.28 -1.12 -4.71 120.64 113.71 1j4s n GLU 77 Ca 0.13 -1.27 -0.06 0.00 -0.16 0.00 0.00 57.16 55.80 1j4s n GLU 77 Cb 0.50 -0.92 -0.07 0.00 1.43 0.00 0.00 31.44 32.38 1j4s n GLU 77 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1j4s s SER 78 N -0.77 -0.33 -0.03 -1.84 0.15 -1.25 -1.19 113.70 108.44 1j4s s SER 78 Ca 0.00 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.28 1j4s s SER 78 Cb 0.00 0.73 0.01 0.00 -1.71 0.00 0.00 66.02 65.04 1j4s s SER 78 CO 0.00 -0.10 -0.09 -0.69 1.20 0.00 0.00 173.24 173.56 1j4s s VAL 79 N 0.40 0.78 0.33 4.45 1.01 -0.76 -2.32 120.40 124.29 1j4s s VAL 79 Ca 0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1j4s s VAL 79 Cb -0.05 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1j4s s VAL 79 CO -0.10 0.25 0.57 -0.94 0.00 0.00 0.00 175.10 174.88 1j4s s SER 80 N 0.28 0.39 0.00 3.32 1.04 -1.10 -0.15 113.70 117.47 1j4s s SER 80 Ca -0.04 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1j4s s SER 80 Cb -0.09 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1j4s s SER 80 CO 0.01 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1j4s n GLY 81 N -0.51 0.36 0.00 7.32 0.00 -0.59 -2.02 105.19 109.75 1j4s n GLY 81 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1j4s n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1j4s n TYR 82 N 0.00 -0.50 -3.62 1.61 4.02 -1.26 -2.71 117.16 114.70 1j4s n TYR 82 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 1j4s n TYR 82 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 1j4s n TYR 82 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1j4s s THR 83 N 0.00 0.03 0.00 -0.72 2.01 0.11 -3.36 115.64 113.72 1j4s s THR 83 Ca 0.00 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1j4s s THR 83 Cb 0.00 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.63 1j4s s THR 83 CO 0.00 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 1j4s n GLY 84 N 0.84 1.81 1.63 4.40 0.00 0.54 -0.69 105.19 113.73 1j4s n GLY 84 Ca -0.20 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 1j4s n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4s n PRO 85 N -0.93 -2.47 -3.08 1.61 -0.04 -1.26 -1.61 135.00 127.22 1j4s n PRO 85 Ca 0.00 -0.79 -0.15 0.00 -0.04 0.00 0.00 63.50 62.52 1j4s n PRO 85 Cb 0.00 -0.82 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 1j4s n PRO 85 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1j4s s PHE 86 N -1.81 -0.37 -0.61 0.54 5.36 -1.26 -4.81 117.98 115.01 1j4s s PHE 86 Ca 0.33 -1.32 -0.27 0.00 -0.96 0.00 0.00 56.93 54.71 1j4s s PHE 86 Cb -0.04 -0.26 -0.01 0.00 -0.34 0.00 0.00 43.02 42.37 1j4s s PHE 86 CO 0.26 -1.06 1.77 -1.12 -1.46 0.00 0.00 175.22 173.61 1j4s s SER 87 N 0.58 5.44 0.00 6.13 0.01 -1.26 -2.56 113.70 122.04 1j4s s SER 87 Ca 0.30 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1j4s s SER 87 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1j4s s SER 87 CO -0.11 -2.25 0.00 0.00 0.41 0.00 0.00 173.24 171.29 1j4s n ALA 88 N 12.09 0.00 1.88 1.44 0.00 -1.26 -4.75 120.51 129.92 1j4s n ALA 88 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1j4s n ALA 88 Cb 0.51 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.55 1j4s n ALA 88 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1j4s n LEU 89 N 0.00 0.28 -2.66 0.00 -0.00 -1.06 -4.82 117.00 108.73 1j4s n LEU 89 Ca 0.00 -0.11 -0.16 0.00 -0.00 0.00 0.00 56.01 55.73 1j4s n LEU 89 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 43.42 43.40 1j4s n LEU 89 CO 0.00 0.06 -0.13 0.00 -0.00 0.00 0.00 177.39 177.31 1j4s n ALA 90 N -0.64 -0.83 -2.75 1.47 0.00 -1.23 -4.92 120.51 111.62 1j4s n ALA 90 Ca 0.16 0.13 -0.38 0.00 0.00 0.00 0.00 53.44 53.34 1j4s n ALA 90 Cb 0.12 -2.08 -0.11 0.00 0.00 0.00 0.00 19.45 17.37 1j4s n ALA 90 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1j4s s THR 91 N -2.79 4.91 0.28 0.00 -1.32 -1.25 -4.97 115.64 110.50 1j4s s THR 91 Ca 0.10 -0.16 0.08 0.00 -1.21 0.00 0.00 61.69 60.50 1j4s s THR 91 Cb -0.05 -3.42 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 1j4s s THR 91 CO 0.13 0.15 1.65 1.55 -2.21 0.00 0.00 174.62 175.89 1j4s h PRO 92 N 8.37 0.14 -7.08 7.08 0.14 -1.91 -3.36 132.00 135.37 1j4s h PRO 92 Ca -0.34 -0.08 -0.54 0.00 0.14 0.00 0.00 66.00 65.18 1j4s h PRO 92 Cb 1.17 0.01 0.13 0.00 0.14 0.00 0.00 31.00 32.44 1j4s h PRO 92 CO 0.59 0.63 0.52 -0.08 0.14 0.00 0.00 178.00 179.81 1j4s s THR 93 N -3.87 2.31 0.74 1.56 -1.32 -1.26 -4.78 115.64 109.03 1j4s s THR 93 Ca -0.03 0.21 -0.14 0.00 -1.21 0.00 0.00 61.69 60.51 1j4s s THR 93 Cb 0.13 -3.09 0.05 0.00 -1.51 0.00 0.00 72.50 68.07 1j4s s THR 93 CO 0.77 -0.03 1.19 -2.84 -2.21 0.00 0.00 174.62 171.51 1j4s s PRO 94 N -3.20 2.07 0.11 7.08 0.02 -1.26 -4.23 135.00 135.59 1j4s s PRO 94 Ca 0.77 1.71 -0.10 0.00 0.02 0.00 0.00 61.00 63.40 1j4s s PRO 94 Cb -0.35 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1j4s s PRO 94 CO 0.39 -1.87 0.25 0.08 -0.33 0.00 0.00 177.00 175.51 1j4s s VAL 95 N -2.08 0.12 -0.76 3.83 1.01 -0.63 -3.86 120.40 118.02 1j4s s VAL 95 Ca 0.73 -1.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 1j4s s VAL 95 Cb -0.28 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 34.79 1j4s s VAL 95 CO 0.46 -0.53 1.10 0.68 0.00 0.00 0.00 175.10 176.81 1j4s s VAL 96 N -3.87 4.24 0.30 2.92 -7.23 -1.20 -0.34 120.40 115.22 1j4s s VAL 96 Ca 0.06 -0.48 0.03 0.00 -1.81 0.00 0.00 61.98 59.79 1j4s s VAL 96 Cb 0.04 -4.78 0.09 0.00 0.56 0.00 0.00 36.38 32.29 1j4s s VAL 96 CO -0.10 -1.59 1.77 0.03 -0.31 0.00 0.00 175.10 174.90 1j4s h ARG 97 N 9.55 0.49 0.00 4.82 2.47 -1.80 -2.43 114.38 127.48 1j4s h ARG 97 Ca -0.16 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.37 1j4s h ARG 97 Cb 1.05 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.32 1j4s h ARG 97 CO 1.21 0.65 -0.03 0.45 0.56 0.00 0.00 179.97 182.81 1j4s n SER 98 N -4.17 0.11 0.00 7.04 2.88 -1.10 -2.88 113.62 115.51 1j4s n SER 98 Ca 0.00 -1.14 0.00 0.00 -1.33 0.00 0.00 58.87 56.41 1j4s n SER 98 Cb 0.36 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1j4s n SER 98 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1j4s n LEU 99 N 0.00 0.00 -4.90 2.46 7.94 -1.05 -4.32 117.00 117.13 1j4s n LEU 99 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 1j4s n LEU 99 Cb 0.04 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.94 1j4s n LEU 99 CO 0.02 0.00 0.05 0.28 -1.11 0.00 0.00 177.39 176.63 1j4s s THR 100 N 0.00 5.15 -0.25 1.96 -1.32 -0.86 -4.18 115.64 116.14 1j4s s THR 100 Ca 0.00 0.03 0.01 0.00 -1.21 0.00 0.00 61.69 60.51 1j4s s THR 100 Cb 0.00 -3.64 0.07 0.00 -1.51 0.00 0.00 72.50 67.42 1j4s s THR 100 CO 0.00 -0.00 -0.03 -0.36 -2.21 0.00 0.00 174.62 172.02 1j4s s PHE 101 N -1.70 2.46 0.56 9.09 0.08 -1.21 -2.70 117.98 124.56 1j4s s PHE 101 Ca 0.41 -1.88 -0.07 0.00 0.12 0.00 0.00 56.93 55.51 1j4s s PHE 101 Cb -0.12 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1j4s s PHE 101 CO 0.25 -0.80 0.89 0.21 -0.10 0.00 0.00 175.22 175.67 1j4s s LYS 102 N 1.37 3.31 0.09 0.44 2.20 -0.98 -1.18 119.74 124.98 1j4s s LYS 102 Ca -0.02 0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 1j4s s LYS 102 Cb -0.19 -2.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 1j4s s LYS 102 CO -0.08 -0.49 -0.09 0.99 -0.36 0.00 0.00 175.35 175.32 1j4s s THR 103 N -2.95 0.78 0.21 3.43 2.01 -0.97 -2.79 115.64 115.36 1j4s s THR 103 Ca 0.52 -1.61 0.15 0.00 0.31 0.00 0.00 61.69 61.06 1j4s s THR 103 Cb -0.11 -1.29 0.06 0.00 0.01 0.00 0.00 72.50 71.17 1j4s s THR 103 CO 0.47 -0.61 1.67 -0.55 -0.69 0.00 0.00 174.62 174.91 1j4s h ASN 104 N 3.59 0.00 0.00 3.53 -0.00 -1.71 -2.63 115.58 118.36 1j4s h ASN 104 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.94 1j4s h ASN 104 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.50 1j4s h ASN 104 CO 0.54 0.49 0.00 0.29 -0.00 0.00 0.00 177.43 178.75 1j4s n LYS 105 N -3.65 0.98 0.00 4.14 4.01 -1.26 -4.90 118.16 117.47 1j4s n LYS 105 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1j4s n LYS 105 Cb 0.56 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 33.80 1j4s n LYS 105 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j4s n GLY 106 N 0.75 2.87 2.99 0.72 0.00 -0.99 -5.02 105.19 106.49 1j4s n GLY 106 Ca 0.13 -0.73 -0.54 0.00 0.00 0.00 0.00 46.02 44.88 1j4s n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4s n ARG 107 N 0.00 0.00 -4.31 1.61 1.74 -1.26 -4.39 116.66 110.05 1j4s n ARG 107 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1j4s n ARG 107 Cb 0.00 -1.21 -0.13 0.00 -1.02 0.00 0.00 32.46 30.10 1j4s n ARG 107 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1j4s s THR 108 N 2.62 3.48 -1.29 0.55 -1.32 -1.26 -2.29 115.64 116.14 1j4s s THR 108 Ca 0.86 -0.48 -0.15 0.00 -1.21 0.00 0.00 61.69 60.70 1j4s s THR 108 Cb -1.21 -2.54 0.12 0.00 -1.51 0.00 0.00 72.50 67.36 1j4s s THR 108 CO 0.65 0.47 1.71 0.49 -2.21 0.00 0.00 174.62 175.73 1j4s n PHE 109 N 4.03 4.42 0.00 9.09 3.01 -0.33 -4.97 117.46 132.71 1j4s n PHE 109 Ca -0.18 -3.04 0.00 0.00 1.01 0.00 0.00 57.45 55.24 1j4s n PHE 109 Cb 0.52 -2.37 0.00 0.00 -0.01 0.00 0.00 39.48 37.61 1j4s n PHE 109 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j4s n GLY 110 N 4.41 0.00 3.51 1.37 0.00 -1.26 -3.32 105.19 109.90 1j4s n GLY 110 Ca 0.44 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.93 1j4s n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4s n PRO 111 N 0.00 0.42 -4.27 1.61 -0.04 -1.26 -4.81 135.00 126.65 1j4s n PRO 111 Ca 0.00 0.15 -0.31 0.00 -0.04 0.00 0.00 63.50 63.30 1j4s n PRO 111 Cb 0.00 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 31.75 1j4s n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4s s TYR 112 N -0.26 2.37 0.00 0.54 2.02 -1.26 -4.99 117.35 115.77 1j4s s TYR 112 Ca 0.79 -1.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 1j4s s TYR 112 Cb -1.05 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 38.84 1j4s s TYR 112 CO 0.55 -0.65 0.00 0.41 -1.57 0.00 0.00 175.55 174.29 1j4s n GLY 113 N 4.47 1.97 3.65 0.71 0.00 -1.26 -2.54 105.19 112.19 1j4s n GLY 113 Ca -0.19 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1j4s n GLY 113 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j4s s ASP 114 N -0.18 6.86 0.00 1.61 1.47 -1.14 -4.71 116.67 120.58 1j4s s ASP 114 Ca 0.00 1.07 0.00 0.00 1.18 0.00 0.00 52.55 54.80 1j4s s ASP 114 Cb 0.00 -2.45 0.00 0.00 -0.34 0.00 0.00 42.92 40.13 1j4s s ASP 114 CO 0.00 -0.52 0.10 1.21 0.68 0.00 0.00 175.17 176.64 1j4s n GLU 115 N 6.00 0.00 -4.91 2.11 4.07 -1.26 -4.02 120.64 122.64 1j4s n GLU 115 Ca 0.06 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.83 1j4s n GLU 115 Cb 0.47 -0.86 -0.14 0.00 -0.06 0.00 0.00 31.44 30.85 1j4s n GLU 115 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1j4s s GLU 116 N 0.92 2.72 0.00 5.31 2.12 -1.26 -4.95 118.70 123.56 1j4s s GLU 116 Ca 0.00 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.61 1j4s s GLU 116 Cb 0.00 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 31.98 1j4s s GLU 116 CO 0.00 0.50 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 1j4s n GLY 117 N 2.67 0.68 3.70 -1.50 0.00 -1.26 -4.48 105.19 105.00 1j4s n GLY 117 Ca -0.17 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.37 1j4s n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j4s s THR 118 N -1.15 5.25 0.23 2.61 -1.32 0.14 -4.72 115.64 116.68 1j4s s THR 118 Ca 0.00 0.13 -0.30 0.00 -1.21 0.00 0.00 61.69 60.31 1j4s s THR 118 Cb 0.00 -3.40 -0.10 0.00 -1.51 0.00 0.00 72.50 67.50 1j4s s THR 118 CO 0.00 0.43 1.39 -0.47 -2.21 0.00 0.00 174.62 173.76 1j4s s TYR 119 N 0.46 3.11 0.03 9.09 5.04 -1.26 0.10 117.35 133.92 1j4s s TYR 119 Ca 0.07 1.10 0.06 0.00 -2.44 0.00 0.00 57.07 55.85 1j4s s TYR 119 Cb -0.12 -3.74 -0.02 0.00 0.35 0.00 0.00 41.96 38.43 1j4s s TYR 119 CO -0.01 -2.38 -0.16 -0.59 -1.34 0.00 0.00 175.55 171.08 1j4s s PHE 120 N 0.03 1.43 -0.05 4.97 -0.12 -1.26 -4.96 117.98 118.01 1j4s s PHE 120 Ca 0.58 -0.34 -0.09 0.00 -0.05 0.00 0.00 56.93 57.04 1j4s s PHE 120 Cb -0.40 -0.86 0.02 0.00 -0.63 0.00 0.00 43.02 41.15 1j4s s PHE 120 CO 0.41 0.04 0.22 1.21 -0.05 0.00 0.00 175.22 177.05 1j4s s ASN 121 N -0.98 -0.17 -0.34 1.98 2.47 -1.26 -1.54 114.94 115.10 1j4s s ASN 121 Ca 0.04 0.25 0.02 0.00 0.42 0.00 0.00 52.86 53.59 1j4s s ASN 121 Cb -0.08 0.38 0.15 0.00 -1.45 0.00 0.00 41.25 40.26 1j4s s ASN 121 CO 0.01 -0.20 0.37 -0.22 -3.72 0.00 0.00 177.10 173.35 1j4s s LEU 122 N -0.43 -0.28 0.06 3.21 2.96 0.78 -4.96 118.68 120.03 1j4s s LEU 122 Ca -0.05 -1.15 -0.24 0.00 -0.22 0.00 0.00 54.13 52.47 1j4s s LEU 122 Cb -0.04 0.69 -0.06 0.00 0.50 0.00 0.00 46.19 47.28 1j4s s LEU 122 CO 0.01 -0.30 0.74 -2.84 -1.32 0.00 0.00 176.35 172.63 1j4s s PRO 123 N 1.86 4.47 -0.40 0.98 0.02 -1.26 -1.82 135.00 138.85 1j4s s PRO 123 Ca 0.14 1.02 -0.10 0.00 0.02 0.00 0.00 61.00 62.08 1j4s s PRO 123 Cb -0.14 -3.33 0.06 0.00 0.02 0.00 0.00 34.50 31.10 1j4s s PRO 123 CO -0.15 0.37 0.23 0.42 -0.33 0.00 0.00 177.00 177.53 1j4s s ILE 124 N -0.34 4.36 -0.19 2.83 -1.09 -0.33 -4.93 121.20 121.50 1j4s s ILE 124 Ca 0.37 -1.16 0.16 0.00 -2.23 0.00 0.00 60.65 57.79 1j4s s ILE 124 Cb -0.21 -3.56 0.08 0.00 -1.58 0.00 0.00 42.46 37.19 1j4s s ILE 124 CO 0.23 -0.38 1.39 -0.33 -1.23 0.00 0.00 174.94 174.62 1j4s h GLU 125 N 8.42 0.00 -2.03 2.79 5.08 -1.97 -3.45 114.58 123.42 1j4s h GLU 125 Ca -0.24 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1j4s h GLU 125 Cb 1.09 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.14 1j4s h GLU 125 CO 0.71 0.40 -0.12 1.21 -1.00 0.00 0.00 179.01 180.22 1j4s s ASN 126 N -6.33 -1.07 0.00 1.42 2.47 -1.26 -5.15 114.94 105.02 1j4s s ASN 126 Ca 0.04 1.54 0.00 0.00 0.42 0.00 0.00 52.86 54.86 1j4s s ASN 126 Cb 0.07 2.11 0.00 0.00 -1.45 0.00 0.00 41.25 41.98 1j4s s ASN 126 CO 0.74 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 174.51 1j4s n GLY 127 N 5.26 -0.66 3.29 1.21 0.00 -1.26 -5.06 105.19 107.97 1j4s n GLY 127 Ca -0.13 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.37 1j4s n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j4s s LEU 128 N 0.00 -0.93 0.25 0.99 1.02 -0.58 -4.93 118.68 114.50 1j4s s LEU 128 Ca 0.00 1.00 -0.30 0.00 0.02 0.00 0.00 54.13 54.85 1j4s s LEU 128 Cb 0.00 1.74 -0.10 0.00 0.02 0.00 0.00 46.19 47.85 1j4s s LEU 128 CO 0.00 -0.25 1.49 -0.63 0.02 0.00 0.00 176.35 176.99 1j4s s ILE 129 N 2.73 2.51 0.00 -0.59 1.01 -1.26 -1.88 121.20 123.72 1j4s s ILE 129 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1j4s s ILE 129 Cb -0.13 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1j4s s ILE 129 CO -0.17 0.06 0.11 0.55 0.00 0.00 0.00 174.94 175.50 1j4s n VAL 130 N 2.48 0.00 0.00 2.92 3.14 0.15 -4.54 118.33 122.48 1j4s n VAL 130 Ca 0.08 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1j4s n VAL 130 Cb 0.39 1.69 0.00 0.00 -1.06 0.00 0.00 33.84 34.86 1j4s n VAL 130 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j4s n GLY 131 N 0.02 0.64 3.21 7.55 0.00 -1.24 -1.68 105.19 113.69 1j4s n GLY 131 Ca 0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 1j4s n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j4s s PHE 132 N -2.00 1.61 0.30 1.61 0.08 -1.26 -1.73 117.98 116.60 1j4s s PHE 132 Ca 0.00 -0.36 0.07 0.00 0.12 0.00 0.00 56.93 56.76 1j4s s PHE 132 Cb 0.00 -0.97 -0.06 0.00 -0.57 0.00 0.00 43.02 41.42 1j4s s PHE 132 CO 0.00 0.06 -0.04 0.21 -0.10 0.00 0.00 175.22 175.36 1j4s s LYS 133 N -1.09 1.63 0.00 0.44 2.47 -0.56 -1.96 119.74 120.67 1j4s s LYS 133 Ca 0.06 -1.85 0.00 0.00 -1.56 0.00 0.00 55.97 52.62 1j4s s LYS 133 Cb -0.08 -1.21 0.00 0.00 -1.46 0.00 0.00 37.83 35.08 1j4s s LYS 133 CO 0.01 0.01 0.00 0.41 0.16 0.00 0.00 175.35 175.94 1j4s n GLY 134 N -0.65 -0.74 3.26 5.54 0.00 -1.02 -0.37 105.19 111.21 1j4s n GLY 134 Ca -0.05 -1.58 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 1j4s n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4s s ARG 135 N -1.75 1.12 -0.14 1.61 0.52 -0.65 -1.01 118.95 118.63 1j4s s ARG 135 Ca 0.00 -1.50 -0.05 0.00 -0.52 0.00 0.00 55.73 53.65 1j4s s ARG 135 Cb 0.00 -0.58 0.07 0.00 0.52 0.00 0.00 34.95 34.96 1j4s s ARG 135 CO 0.00 0.02 0.30 0.99 0.02 0.00 0.00 175.30 176.63 1j4s s THR 136 N -3.39 -0.40 0.00 0.02 2.01 -0.66 -1.17 115.64 112.05 1j4s s THR 136 Ca 0.20 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1j4s s THR 136 Cb 0.04 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.06 1j4s s THR 136 CO 0.02 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1j4s n GLY 137 N 5.17 -0.09 0.16 4.40 0.00 -1.26 0.11 105.19 113.67 1j4s n GLY 137 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1j4s n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4s n ASP 138 N -0.83 2.42 -1.94 1.61 8.00 -1.26 -4.90 116.55 119.65 1j4s n ASP 138 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1j4s n ASP 138 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1j4s n ASP 138 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1j4s n LEU 139 N -3.14 0.00 -4.66 0.64 7.99 -1.26 -4.26 117.00 112.30 1j4s n LEU 139 Ca -0.30 0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.28 1j4s n LEU 139 Cb 0.79 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 44.07 1j4s n LEU 139 CO 0.13 -0.27 0.69 -0.22 -1.51 0.00 0.00 177.39 176.22 1j4s s LEU 140 N 0.00 4.14 -0.09 2.23 2.96 -0.92 -4.48 118.68 122.53 1j4s s LEU 140 Ca 0.00 1.20 0.07 0.00 -0.22 0.00 0.00 54.13 55.18 1j4s s LEU 140 Cb 0.00 -3.30 -0.24 0.00 0.50 0.00 0.00 46.19 43.15 1j4s s LEU 140 CO 0.00 -0.49 0.49 0.47 -1.32 0.00 0.00 176.35 175.50 1j4s n ASP 141 N 5.65 1.18 -3.84 3.68 9.92 -0.32 -3.25 116.55 129.57 1j4s n ASP 141 Ca 0.06 0.30 -0.11 0.00 -0.53 0.00 0.00 54.79 54.51 1j4s n ASP 141 Cb 0.48 -0.20 -0.09 0.00 -0.64 0.00 0.00 41.12 40.66 1j4s n ASP 141 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j4s s ALA 142 N -2.57 -0.43 0.01 2.24 0.00 -1.19 -1.69 121.76 118.13 1j4s s ALA 142 Ca -0.11 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.82 1j4s s ALA 142 Cb 0.07 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1j4s s ALA 142 CO 0.80 -0.25 -0.13 0.42 0.00 0.00 0.00 175.76 176.60 1j4s s ILE 143 N -1.58 1.04 0.31 0.00 1.01 0.22 -1.64 121.20 120.55 1j4s s ILE 143 Ca -0.13 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 59.80 1j4s s ILE 143 Cb -0.06 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1j4s s ILE 143 CO 0.01 0.14 0.22 -0.83 0.00 0.00 0.00 174.94 174.48 1j4s s GLY 144 N -0.72 2.14 0.36 6.18 0.00 0.50 0.27 107.32 116.06 1j4s s GLY 144 Ca 0.03 -1.91 0.04 0.00 0.00 0.00 0.00 44.72 42.88 1j4s s GLY 144 CO 0.00 -1.50 0.16 -0.42 0.00 0.00 0.00 173.10 171.35 1j4s s ILE 145 N -3.59 0.45 -0.10 0.90 1.09 -1.17 -1.49 121.20 117.29 1j4s s ILE 145 Ca 0.39 -2.00 -0.03 0.00 -1.10 0.00 0.00 60.65 57.90 1j4s s ILE 145 Cb 0.04 -2.44 0.05 0.00 -1.06 0.00 0.00 42.46 39.05 1j4s s ILE 145 CO 0.23 0.00 0.15 -1.00 -0.10 0.00 0.00 174.94 174.21 1j4s s HIS 146 N -3.36 -0.13 0.25 3.97 3.76 -0.71 -4.14 115.29 114.94 1j4s s HIS 146 Ca 0.30 0.45 0.08 0.00 -0.15 0.00 0.00 55.06 55.74 1j4s s HIS 146 Cb 0.03 -0.34 -0.04 0.00 1.11 0.00 0.00 32.58 33.35 1j4s s HIS 146 CO 0.18 -0.31 0.09 -1.64 -0.85 0.00 0.00 174.74 172.20 1j4s s MET 147 N 2.27 2.60 0.16 1.40 1.00 0.60 0.33 119.30 127.65 1j4s s MET 147 Ca 0.04 -1.23 -0.24 0.00 0.00 0.00 0.00 55.69 54.25 1j4s s MET 147 Cb -0.13 -2.36 0.07 0.00 0.00 0.00 0.00 34.83 32.41 1j4s s MET 147 CO -0.06 0.39 1.01 0.45 0.00 0.00 0.00 175.02 176.80 1j4s s SER 148 N -3.71 -0.10 0.00 3.03 0.15 -0.79 -3.39 113.70 108.90 1j4s s SER 148 Ca 0.32 -0.50 0.18 0.00 0.70 0.00 0.00 55.95 56.65 1j4s s SER 148 Cb -0.07 0.48 0.14 0.00 -1.71 0.00 0.00 66.02 64.86 1j4s s SER 148 CO 0.22 -0.91 1.08 0.18 1.20 0.00 0.00 173.24 175.01