#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4s s SER 2 N 0.00 7.24 0.22 0.00 1.04 -1.26 -5.05 113.70 115.89 1j4s s SER 2 Ca 0.00 1.80 0.06 0.00 0.48 0.00 0.00 55.95 58.29 1j4s s SER 2 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1j4s s SER 2 CO 0.00 -0.14 0.19 0.00 0.98 0.00 0.00 173.24 174.27 1j4s s GLN 3 N -2.33 2.96 0.29 4.02 -2.07 -1.26 -5.05 119.66 116.21 1j4s s GLN 3 Ca 0.53 -0.96 0.09 0.00 -1.82 0.00 0.00 55.36 53.20 1j4s s GLN 3 Cb -0.16 -2.62 -0.06 0.00 -1.09 0.00 0.00 33.01 29.08 1j4s s GLN 3 CO 0.21 0.44 -0.11 0.95 -1.32 0.00 0.00 175.29 175.46 1j4s s THR 4 N -1.97 1.98 -0.40 3.63 -4.23 -1.26 -5.08 115.64 108.31 1j4s s THR 4 Ca 0.32 -2.21 -0.29 0.00 -1.18 0.00 0.00 61.69 58.33 1j4s s THR 4 Cb -0.09 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.35 1j4s s THR 4 CO 0.25 -0.34 1.22 -0.63 -0.54 0.00 0.00 174.62 174.58 1j4s s ILE 5 N -2.80 4.18 -0.53 2.99 1.01 -1.22 -4.85 121.20 119.98 1j4s s ILE 5 Ca 0.29 1.26 -0.19 0.00 0.00 0.00 0.00 60.65 62.01 1j4s s ILE 5 Cb 0.01 -4.40 0.07 0.00 0.01 0.00 0.00 42.46 38.15 1j4s s ILE 5 CO 0.13 -0.76 0.64 -0.89 0.00 0.00 0.00 174.94 174.06 1j4s s THR 6 N 4.52 4.86 -0.12 2.92 2.01 -1.26 -0.19 115.64 128.39 1j4s s THR 6 Ca 0.52 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.81 1j4s s THR 6 Cb -0.11 -4.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1j4s s THR 6 CO 0.27 -0.89 0.15 -0.69 -0.69 0.00 0.00 174.62 172.77 1j4s s VAL 7 N 2.63 5.50 0.00 3.82 1.01 -0.61 -4.97 120.40 127.79 1j4s s VAL 7 Ca 0.14 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1j4s s VAL 7 Cb -0.21 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1j4s s VAL 7 CO 0.10 0.62 0.00 0.61 0.00 0.00 0.00 175.10 176.43 1j4s n GLY 8 N 1.99 0.97 0.93 4.51 0.00 -1.26 -2.64 105.19 109.68 1j4s n GLY 8 Ca -0.20 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.48 -1.46 -3.69 1.61 2.88 -1.11 -4.95 113.62 107.38 1j4s n SER 9 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1j4s n SER 9 Cb 0.00 -0.73 -0.16 0.00 -0.75 0.00 0.00 64.21 62.57 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 0.00 -0.13 -5.00 0.66 0.51 0.12 -5.01 118.94 110.09 1j4s s TRP 10 Ca 0.00 0.51 0.00 0.00 -2.12 0.00 0.00 56.10 54.49 1j4s s TRP 10 Cb 0.00 -0.26 0.00 0.00 -0.81 0.00 0.00 33.47 32.40 1j4s s TRP 10 CO 0.00 -0.23 0.00 0.41 -0.51 0.00 0.00 176.95 176.62 1j4s n GLY 11 N 5.03 -0.08 0.82 0.98 0.00 -1.26 -0.07 105.19 110.62 1j4s n GLY 11 Ca -0.10 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.16 1j4s n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4s n GLY 12 N -0.91 1.04 0.61 -0.02 0.00 -0.75 -4.89 105.19 100.26 1j4s n GLY 12 Ca 0.00 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.13 1j4s n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4s n PRO 13 N -1.36 1.71 -2.27 1.61 -0.04 -1.26 -4.60 135.00 128.79 1j4s n PRO 13 Ca 0.03 -1.22 -0.26 0.00 -0.04 0.00 0.00 63.50 62.01 1j4s n PRO 13 Cb 0.12 -1.47 0.05 0.00 -0.04 0.00 0.00 33.50 32.16 1j4s n PRO 13 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1j4s s GLY 14 N -2.13 1.65 0.00 0.55 0.00 -1.26 -4.98 107.32 101.15 1j4s s GLY 14 Ca 0.30 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1j4s s GLY 14 CO 0.38 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.65 1j4s n GLY 15 N -2.77 0.35 3.66 0.20 0.00 -1.26 -4.64 105.19 100.74 1j4s n GLY 15 Ca 0.06 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.36 6.00 0.30 1.61 0.02 0.23 -4.78 114.94 117.96 1j4s s ASN 16 Ca 0.00 0.12 -0.30 0.00 -1.02 0.00 0.00 52.86 51.67 1j4s s ASN 16 Cb 0.00 -2.06 -0.12 0.00 0.02 0.00 0.00 41.25 39.09 1j4s s ASN 16 CO 0.00 0.12 1.53 0.61 0.02 0.00 0.00 177.10 179.38 1j4s n GLY 17 N 3.94 1.20 3.09 0.66 0.00 -1.26 -2.70 105.19 110.12 1j4s n GLY 17 Ca -0.16 0.43 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 1j4s n GLY 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1j4s s TRP 18 N -0.27 0.78 -0.11 1.61 -2.14 0.99 -4.96 118.94 114.85 1j4s s TRP 18 Ca 0.62 -0.53 -0.05 0.00 2.66 0.00 0.00 56.10 58.80 1j4s s TRP 18 Cb -0.52 -0.46 0.05 0.00 -3.10 0.00 0.00 33.47 29.45 1j4s s TRP 18 CO 0.52 -0.07 0.25 0.34 -2.66 0.00 0.00 176.95 175.33 1j4s s ASP 19 N -1.76 -0.08 -0.02 -2.66 -1.08 -1.26 -2.03 116.67 107.78 1j4s s ASP 19 Ca -0.06 0.53 0.20 0.00 -0.52 0.00 0.00 52.55 52.70 1j4s s ASP 19 Cb -0.08 0.47 0.62 0.00 -1.46 0.00 0.00 42.92 42.46 1j4s s ASP 19 CO 0.00 -0.19 1.52 -0.62 0.52 0.00 0.00 175.17 176.41 1j4s n GLU 20 N 4.54 2.95 0.00 4.34 1.02 0.02 -4.99 120.64 128.52 1j4s n GLU 20 Ca -0.20 -2.64 0.00 0.00 -0.02 0.00 0.00 57.16 54.30 1j4s n GLU 20 Cb 0.52 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1j4s n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j4s n GLY 21 N 1.38 -1.52 3.44 0.62 0.00 -1.26 -4.79 105.19 103.06 1j4s n GLY 21 Ca 0.23 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 3.79 0.00 1.61 0.01 -1.26 -4.11 113.70 109.74 1j4s s SER 22 Ca 0.00 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1j4s s SER 22 Cb 0.00 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.52 1j4s s SER 22 CO 0.00 0.33 0.00 -1.22 0.41 0.00 0.00 173.24 172.76 1j4s n TYR 23 N 2.25 0.00 -0.00 2.43 4.02 0.37 -4.96 117.16 121.26 1j4s n TYR 23 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1j4s n TYR 23 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 1j4s n TYR 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1j4s n THR 24 N 0.00 0.05 -3.84 -0.72 -1.04 -1.11 -4.97 114.28 102.66 1j4s n THR 24 Ca 0.00 -0.07 0.01 0.00 -2.04 0.00 0.00 64.05 61.96 1j4s n THR 24 Cb 0.00 -0.06 0.01 0.00 -1.82 0.00 0.00 70.33 68.46 1j4s n THR 24 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1j4s s GLY 25 N -2.63 -0.20 -0.16 3.41 0.00 -1.21 -4.97 107.32 101.56 1j4s s GLY 25 Ca -0.01 0.23 -0.05 0.00 0.00 0.00 0.00 44.72 44.89 1j4s s GLY 25 CO 0.09 3.11 -0.00 -0.42 0.00 0.00 0.00 173.10 175.88 1j4s s ILE 26 N -2.21 4.20 -0.11 0.90 1.09 -1.26 -2.66 121.20 121.14 1j4s s ILE 26 Ca 0.23 -0.25 0.02 0.00 -1.10 0.00 0.00 60.65 59.55 1j4s s ILE 26 Cb 0.01 -2.85 -0.08 0.00 -1.06 0.00 0.00 42.46 38.48 1j4s s ILE 26 CO -0.01 0.49 -0.08 0.54 -0.10 0.00 0.00 174.94 175.79 1j4s n ARG 27 N 3.43 0.70 -3.65 2.79 1.74 -0.63 -4.82 116.66 116.22 1j4s n ARG 27 Ca -0.17 0.05 -0.08 0.00 -0.77 0.00 0.00 57.85 56.88 1j4s n ARG 27 Cb 0.52 -1.22 -0.08 0.00 -1.02 0.00 0.00 32.46 30.66 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 -2.22 0.67 0.20 5.56 0.74 -0.84 -1.51 119.66 122.25 1j4s s GLN 28 Ca -0.13 1.15 0.04 0.00 0.05 0.00 0.00 55.36 56.47 1j4s s GLN 28 Cb 0.04 0.13 -0.03 0.00 1.10 0.00 0.00 33.01 34.24 1j4s s GLN 28 CO 0.28 -0.15 0.29 0.42 -0.55 0.00 0.00 175.29 175.58 1j4s s ILE 29 N 1.54 5.11 -0.05 -2.34 1.01 0.81 -0.14 121.20 127.15 1j4s s ILE 29 Ca -0.09 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 1j4s s ILE 29 Cb -0.05 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.75 1j4s s ILE 29 CO -0.18 -0.21 0.10 -0.70 0.00 0.00 0.00 174.94 173.95 1j4s s GLU 30 N -3.56 0.03 0.02 2.79 2.12 -0.51 -1.35 118.70 118.25 1j4s s GLU 30 Ca 0.34 0.30 -0.09 0.00 0.36 0.00 0.00 54.97 55.88 1j4s s GLU 30 Cb -0.10 -0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.08 1j4s s GLU 30 CO 0.28 -0.17 0.18 -0.48 -0.54 0.00 0.00 175.26 174.52 1j4s s LEU 31 N 1.17 1.43 0.09 2.70 0.05 -1.14 -1.63 118.68 121.35 1j4s s LEU 31 Ca -0.09 -0.30 0.07 0.00 0.05 0.00 0.00 54.13 53.87 1j4s s LEU 31 Cb -0.12 0.86 -0.04 0.00 -2.05 0.00 0.00 46.19 44.84 1j4s s LEU 31 CO -0.05 -0.48 -0.13 -0.94 -0.55 0.00 0.00 176.35 174.20 1j4s s SER 32 N -1.81 4.22 0.05 1.48 1.04 -1.05 -1.65 113.70 115.98 1j4s s SER 32 Ca -0.09 -0.40 -0.27 0.00 0.48 0.00 0.00 55.95 55.67 1j4s s SER 32 Cb -0.03 -0.76 0.08 0.00 0.10 0.00 0.00 66.02 65.40 1j4s s SER 32 CO -0.02 0.20 0.69 -0.72 0.98 0.00 0.00 173.24 174.37 1j4s s TYR 33 N -1.13 -0.55 0.00 5.02 1.13 -0.07 -0.49 117.35 121.27 1j4s s TYR 33 Ca 0.19 0.61 0.00 0.00 -1.41 0.00 0.00 57.07 56.46 1j4s s TYR 33 Cb -0.11 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.25 1j4s s TYR 33 CO 0.11 -0.70 0.00 1.17 -2.51 0.00 0.00 175.55 173.62 1j4s n LYS 34 N 0.14 0.00 0.00 -3.49 4.81 -1.26 -0.79 118.16 117.57 1j4s n LYS 34 Ca -0.16 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.38 1j4s n LYS 34 Cb 0.61 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.64 1j4s n LYS 34 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1j4s n GLU 35 N -2.13 0.01 -4.14 1.64 4.71 -1.26 -3.97 120.64 115.50 1j4s n GLU 35 Ca 0.00 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.16 57.01 1j4s n GLU 35 Cb 0.00 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 28.86 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 -3.00 0.87 -0.25 0.62 0.00 -1.26 -3.40 121.76 115.35 1j4s s ALA 36 Ca 0.09 -1.54 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 1j4s s ALA 36 Cb 0.16 1.27 -0.05 0.00 0.00 0.00 0.00 23.12 24.50 1j4s s ALA 36 CO 0.82 -0.72 0.25 0.42 0.00 0.00 0.00 175.76 176.54 1j4s s ILE 37 N -3.66 5.28 0.00 0.00 -1.09 -1.18 -4.41 121.20 116.14 1j4s s ILE 37 Ca 0.33 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 1j4s s ILE 37 Cb 0.02 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1j4s s ILE 37 CO 0.17 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1j4s n GLY 38 N 4.56 0.92 3.81 6.18 0.00 0.36 0.36 105.19 121.38 1j4s n GLY 38 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.00 6.34 -0.10 1.61 0.01 -1.25 -3.30 113.70 116.01 1j4s s SER 39 Ca 0.00 1.84 -0.06 0.00 1.31 0.00 0.00 55.95 59.04 1j4s s SER 39 Cb 0.00 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.73 1j4s s SER 39 CO 0.00 -0.78 0.25 0.12 0.41 0.00 0.00 173.24 173.24 1j4s s PHE 40 N -2.17 -0.32 -0.30 2.43 5.36 0.42 -2.53 117.98 120.86 1j4s s PHE 40 Ca 0.65 0.77 -0.11 0.00 -0.96 0.00 0.00 56.93 57.28 1j4s s PHE 40 Cb -0.15 0.05 0.15 0.00 -0.34 0.00 0.00 43.02 42.74 1j4s s PHE 40 CO 0.23 -0.22 0.80 -1.54 -1.46 0.00 0.00 175.22 173.03 1j4s s SER 41 N 1.13 -0.91 -0.09 6.13 1.04 -0.65 -1.64 113.70 118.72 1j4s s SER 41 Ca -0.08 1.14 -0.01 0.00 0.48 0.00 0.00 55.95 57.47 1j4s s SER 41 Cb -0.09 1.99 -0.03 0.00 0.10 0.00 0.00 66.02 67.99 1j4s s SER 41 CO -0.08 -0.17 -0.02 0.54 0.98 0.00 0.00 173.24 174.49 1j4s s VAL 42 N 2.72 4.09 -0.27 5.02 0.11 -1.26 -1.42 120.40 129.39 1j4s s VAL 42 Ca -0.02 -0.33 -0.16 0.00 -2.93 0.00 0.00 61.98 58.55 1j4s s VAL 42 Cb -0.10 -2.72 -0.03 0.00 -1.53 0.00 0.00 36.38 32.00 1j4s s VAL 42 CO -0.18 0.59 0.42 -0.63 -3.33 0.00 0.00 175.10 171.96 1j4s s ILE 43 N -0.69 5.14 0.54 7.04 1.01 0.80 -2.50 121.20 132.53 1j4s s ILE 43 Ca 0.11 0.62 0.04 0.00 0.00 0.00 0.00 60.65 61.42 1j4s s ILE 43 Cb -0.12 -3.75 0.10 0.00 0.01 0.00 0.00 42.46 38.70 1j4s s ILE 43 CO 0.02 0.11 0.74 -1.22 0.00 0.00 0.00 174.94 174.59 1j4s n TYR 44 N 5.41 -2.70 -4.09 3.97 4.01 0.79 -1.61 117.16 122.94 1j4s n TYR 44 Ca -0.07 -1.61 -0.32 0.00 -0.16 0.00 0.00 57.90 55.74 1j4s n TYR 44 Cb 0.50 -0.52 -0.16 0.00 -0.31 0.00 0.00 39.34 38.85 1j4s n TYR 44 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j4s s ASP 45 N -4.15 3.79 -0.29 7.72 -1.08 -1.09 -0.52 116.67 121.05 1j4s s ASP 45 Ca 0.52 -1.02 -0.06 0.00 -0.52 0.00 0.00 52.55 51.47 1j4s s ASP 45 Cb -0.04 -1.51 0.01 0.00 -1.46 0.00 0.00 42.92 39.92 1j4s s ASP 45 CO 0.34 -0.10 0.06 -0.22 0.52 0.00 0.00 175.17 175.78 1j4s s LEU 46 N 1.20 3.73 -1.22 -1.34 2.96 0.31 -2.74 118.68 121.58 1j4s s LEU 46 Ca -0.02 -0.67 -0.24 0.00 -0.22 0.00 0.00 54.13 52.98 1j4s s LEU 46 Cb -0.16 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.70 1j4s s LEU 46 CO -0.09 -0.17 0.45 0.59 -1.32 0.00 0.00 176.35 175.81 1j4s n ASN 47 N 4.85 -2.43 0.00 3.68 4.13 -1.26 -0.39 115.26 123.85 1j4s n ASN 47 Ca -0.15 -1.21 0.00 0.00 1.68 0.00 0.00 54.58 54.90 1j4s n ASN 47 Cb 0.48 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.26 1j4s n ASN 47 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j4s n GLY 48 N -2.16 2.83 3.42 7.41 0.00 -1.26 -5.02 105.19 110.41 1j4s n GLY 48 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1j4s n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j4s s ASP 49 N -1.51 3.52 0.50 1.61 2.15 0.48 -5.11 116.67 118.31 1j4s s ASP 49 Ca 0.00 -0.65 -0.23 0.00 0.43 0.00 0.00 52.55 52.10 1j4s s ASP 49 Cb 0.00 -0.36 -0.06 0.00 -0.30 0.00 0.00 42.92 42.20 1j4s s ASP 49 CO 0.00 0.19 1.33 -2.84 -0.17 0.00 0.00 175.17 173.68 1j4s s PRO 50 N -1.96 3.41 -0.21 4.34 0.02 -1.26 0.12 135.00 139.46 1j4s s PRO 50 Ca 0.15 2.18 -0.04 0.00 0.02 0.00 0.00 61.00 63.31 1j4s s PRO 50 Cb -0.10 -2.39 0.09 0.00 0.02 0.00 0.00 34.50 32.11 1j4s s PRO 50 CO 0.07 -0.95 0.18 0.12 -0.33 0.00 0.00 177.00 176.09 1j4s s PHE 51 N -1.32 -0.11 -0.04 6.54 2.19 0.32 -4.61 117.98 120.96 1j4s s PHE 51 Ca 0.67 -0.06 -0.30 0.00 0.33 0.00 0.00 56.93 57.57 1j4s s PHE 51 Cb -0.39 -0.51 -0.05 0.00 -1.31 0.00 0.00 43.02 40.77 1j4s s PHE 51 CO 0.47 -0.62 1.38 -1.12 1.83 0.00 0.00 175.22 177.16 1j4s s SER 52 N 2.26 6.87 0.89 6.13 0.01 -1.26 -0.15 113.70 128.45 1j4s s SER 52 Ca 0.06 2.02 -0.11 0.00 1.31 0.00 0.00 55.95 59.23 1j4s s SER 52 Cb -0.16 -2.55 0.18 0.00 0.21 0.00 0.00 66.02 63.70 1j4s s SER 52 CO -0.15 -0.73 1.22 -0.83 0.41 0.00 0.00 173.24 173.17 1j4s s GLY 53 N 1.99 1.78 0.43 3.44 0.00 -1.04 -4.89 107.32 109.03 1j4s s GLY 53 Ca 0.62 -1.43 -0.26 0.00 0.00 0.00 0.00 44.72 43.65 1j4s s GLY 53 CO 0.24 -0.71 1.43 -1.05 0.00 0.00 0.00 173.10 173.02 1j4s n PRO 54 N -3.48 2.34 -2.78 2.90 -0.02 -1.26 -4.81 135.00 127.88 1j4s n PRO 54 Ca 0.16 0.83 -0.36 0.00 -2.02 0.00 0.00 63.50 62.11 1j4s n PRO 54 Cb 0.60 -2.62 -0.07 0.00 -0.02 0.00 0.00 33.50 31.40 1j4s n PRO 54 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j4s s LYS 55 N -2.33 4.48 -0.51 -0.52 -0.14 -1.26 -4.65 119.74 114.80 1j4s s LYS 55 Ca 0.59 1.28 0.06 0.00 -1.36 0.00 0.00 55.97 56.53 1j4s s LYS 55 Cb -0.46 -2.63 0.21 0.00 -1.68 0.00 0.00 37.83 33.27 1j4s s LYS 55 CO 0.59 0.19 0.51 0.72 -0.76 0.00 0.00 175.35 176.60 1j4s n HIS 56 N 0.22 1.01 -3.52 3.18 8.25 -0.65 -5.02 115.22 118.70 1j4s n HIS 56 Ca 0.03 -3.76 -0.31 0.00 -0.26 0.00 0.00 57.72 53.43 1j4s n HIS 56 Cb 0.51 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.13 5.06 0.04 1.59 -1.32 -1.26 -0.44 115.64 118.18 1j4s s THR 57 Ca 0.33 0.16 0.06 0.00 -1.21 0.00 0.00 61.69 61.03 1j4s s THR 57 Cb 0.08 -3.65 -0.03 0.00 -1.51 0.00 0.00 72.50 67.39 1j4s s THR 57 CO -0.13 -0.09 -0.15 -0.55 -2.21 0.00 0.00 174.62 171.49 1j4s s SER 58 N -2.62 4.04 0.41 8.08 0.15 -1.26 -4.86 113.70 117.63 1j4s s SER 58 Ca 0.44 -0.35 0.22 0.00 0.70 0.00 0.00 55.95 56.95 1j4s s SER 58 Cb -0.11 -0.74 0.70 0.00 -1.71 0.00 0.00 66.02 64.15 1j4s s SER 58 CO 0.25 0.26 1.73 0.50 1.20 0.00 0.00 173.24 177.18 1j4s h LYS 59 N 4.48 0.00 -6.32 5.44 3.64 -1.94 -3.45 116.57 118.42 1j4s h LYS 59 Ca -0.48 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.24 1j4s h LYS 59 Cb 1.16 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 33.04 1j4s h LYS 59 CO 0.49 0.27 0.48 1.28 -2.27 0.00 0.00 179.45 179.70 1j4s n LEU 60 N -3.34 1.85 -3.55 5.20 4.32 -1.26 -4.76 117.00 115.46 1j4s n LEU 60 Ca 0.01 1.12 -0.44 0.00 -0.02 0.00 0.00 56.01 56.68 1j4s n LEU 60 Cb 0.50 -1.23 -0.09 0.00 -1.62 0.00 0.00 43.42 40.98 1j4s n LEU 60 CO 0.35 -0.97 1.76 -2.65 -1.22 0.00 0.00 177.39 174.65 1j4s n PRO 61 N 2.52 0.66 -3.46 3.23 -0.02 -1.26 -4.92 135.00 131.75 1j4s n PRO 61 Ca 0.18 -1.36 -0.20 0.00 -2.02 0.00 0.00 63.50 60.09 1j4s n PRO 61 Cb 0.21 -2.68 -0.00 0.00 -0.02 0.00 0.00 33.50 31.01 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 6.11 3.21 0.54 6.00 1.51 -1.26 -5.03 117.35 128.43 1j4s s TYR 62 Ca 0.63 -0.08 -0.19 0.00 -1.01 0.00 0.00 57.07 56.43 1j4s s TYR 62 Cb 0.15 -1.98 -0.06 0.00 -0.11 0.00 0.00 41.96 39.96 1j4s s TYR 62 CO 0.25 0.01 1.09 -1.59 -1.11 0.00 0.00 175.55 174.19 1j4s s LYS 63 N -4.22 3.43 -0.08 -0.62 0.00 0.03 -4.66 119.74 113.62 1j4s s LYS 63 Ca 0.44 1.47 0.03 0.00 0.00 0.00 0.00 55.97 57.90 1j4s s LYS 63 Cb -0.10 -2.03 -0.02 0.00 0.00 0.00 0.00 37.83 35.69 1j4s s LYS 63 CO 0.32 -0.76 -0.16 -0.80 0.00 0.00 0.00 175.35 173.95 1j4s s ASN 64 N -2.03 3.79 0.03 0.03 -0.87 -1.26 -0.89 114.94 113.74 1j4s s ASN 64 Ca 0.69 -0.32 0.03 0.00 -1.57 0.00 0.00 52.86 51.70 1j4s s ASN 64 Cb -0.20 -1.13 -0.02 0.00 -0.02 0.00 0.00 41.25 39.88 1j4s s ASN 64 CO 0.27 0.25 -0.10 0.68 -2.57 0.00 0.00 177.10 175.64 1j4s s VAL 65 N -0.19 0.77 -0.21 1.60 -7.23 -0.66 -5.02 120.40 109.46 1j4s s VAL 65 Ca -0.01 -0.81 -0.03 0.00 -1.81 0.00 0.00 61.98 59.33 1j4s s VAL 65 Cb -0.13 -0.72 -0.00 0.00 0.56 0.00 0.00 36.38 36.08 1j4s s VAL 65 CO 0.03 -0.07 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.08 1j4s s LYS 66 N -0.98 3.29 -0.36 4.82 0.00 -1.26 -2.86 119.74 122.40 1j4s s LYS 66 Ca -0.02 -0.67 -0.12 0.00 0.00 0.00 0.00 55.97 55.16 1j4s s LYS 66 Cb -0.07 -2.89 0.01 0.00 0.00 0.00 0.00 37.83 34.88 1j4s s LYS 66 CO 0.01 -0.17 0.22 0.42 0.00 0.00 0.00 175.35 175.83 1j4s s ILE 67 N 1.36 4.90 -0.22 3.79 1.01 -0.46 -4.99 121.20 126.59 1j4s s ILE 67 Ca 0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 1j4s s ILE 67 Cb -0.14 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1j4s s ILE 67 CO -0.05 -0.13 -0.09 -1.61 0.00 0.00 0.00 174.94 173.06 1j4s s GLU 68 N 1.63 3.13 0.28 2.79 0.41 -1.26 -0.14 118.70 125.55 1j4s s GLU 68 Ca 0.04 -0.77 -0.09 0.00 -0.41 0.00 0.00 54.97 53.74 1j4s s GLU 68 Cb -0.18 -2.89 -0.07 0.00 -1.78 0.00 0.00 34.13 29.21 1j4s s GLU 68 CO 0.08 -0.26 0.60 -0.51 -0.49 0.00 0.00 175.26 174.68 1j4s s LEU 69 N 1.39 4.08 -0.56 1.80 2.01 -0.57 -4.98 118.68 121.85 1j4s s LEU 69 Ca 0.04 0.92 -0.27 0.00 0.01 0.00 0.00 54.13 54.83 1j4s s LEU 69 Cb -0.15 -3.72 0.03 0.00 0.01 0.00 0.00 46.19 42.37 1j4s s LEU 69 CO -0.06 -0.17 1.11 -1.59 1.01 0.00 0.00 176.35 176.65 1j4s s LYS 70 N -3.20 3.48 0.08 1.70 -2.85 -1.26 -4.93 119.74 112.76 1j4s s LYS 70 Ca 0.47 0.13 -0.31 0.00 -1.00 0.00 0.00 55.97 55.27 1j4s s LYS 70 Cb -0.11 -4.01 -0.07 0.00 -2.06 0.00 0.00 37.83 31.58 1j4s s LYS 70 CO 0.25 -1.58 1.30 0.12 0.10 0.00 0.00 175.35 175.53 1j4s s PHE 71 N 4.59 3.31 0.00 1.78 5.36 -1.26 -0.56 117.98 131.20 1j4s s PHE 71 Ca 0.40 1.11 0.00 0.00 -0.96 0.00 0.00 56.93 57.48 1j4s s PHE 71 Cb -0.09 -3.55 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 1j4s s PHE 71 CO 0.24 -1.84 0.00 -0.35 -1.46 0.00 0.00 175.22 171.81 1j4s n PRO 72 N 4.05 0.00 0.04 10.12 -0.04 -1.26 -4.09 135.00 143.83 1j4s n PRO 72 Ca 0.10 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 1j4s n PRO 72 Cb 0.44 0.00 0.49 0.00 -0.04 0.00 0.00 33.50 34.39 1j4s n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1j4s n ASP 73 N 3.98 0.37 -4.15 3.54 8.00 -1.26 -4.80 116.55 122.25 1j4s n ASP 73 Ca 0.00 0.44 -0.29 0.00 0.71 0.00 0.00 54.79 55.66 1j4s n ASP 73 Cb 0.00 -0.50 -0.17 0.00 -0.02 0.00 0.00 41.12 40.43 1j4s n ASP 73 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1j4s s GLU 74 N -3.05 2.36 0.13 -1.24 2.12 0.27 -4.79 118.70 114.51 1j4s s GLU 74 Ca 0.12 -0.69 -0.07 0.00 0.36 0.00 0.00 54.97 54.69 1j4s s GLU 74 Cb 0.16 -1.88 -0.01 0.00 0.26 0.00 0.00 34.13 32.66 1j4s s GLU 74 CO 0.58 0.16 0.20 -0.59 -0.54 0.00 0.00 175.26 175.08 1j4s s PHE 75 N 0.34 0.41 0.08 5.30 -0.12 -1.26 -4.69 117.98 118.03 1j4s s PHE 75 Ca -0.14 -0.81 -0.30 0.00 -0.05 0.00 0.00 56.93 55.63 1j4s s PHE 75 Cb -0.16 -0.14 -0.06 0.00 -0.63 0.00 0.00 43.02 42.03 1j4s s PHE 75 CO 0.06 -0.62 1.18 -0.51 -0.05 0.00 0.00 175.22 175.27 1j4s s LEU 76 N -2.95 4.38 0.00 -1.99 2.01 -1.26 -0.94 118.68 117.93 1j4s s LEU 76 Ca 0.14 2.02 0.12 0.00 0.01 0.00 0.00 54.13 56.43 1j4s s LEU 76 Cb 0.05 -3.58 0.08 0.00 0.01 0.00 0.00 46.19 42.74 1j4s s LEU 76 CO -0.03 -0.43 0.86 -1.84 1.01 0.00 0.00 176.35 175.92 1j4s n GLU 77 N 3.71 0.97 -3.62 1.70 0.28 0.40 -4.81 120.64 119.28 1j4s n GLU 77 Ca 0.08 -1.14 -0.12 0.00 -0.16 0.00 0.00 57.16 55.82 1j4s n GLU 77 Cb 0.46 -1.22 -0.07 0.00 1.43 0.00 0.00 31.44 32.05 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 -1.14 -0.56 -0.08 -1.84 0.15 -1.17 -0.96 113.70 108.12 1j4s s SER 78 Ca 0.14 0.98 -0.01 0.00 0.70 0.00 0.00 55.95 57.76 1j4s s SER 78 Cb 0.10 0.96 0.03 0.00 -1.71 0.00 0.00 66.02 65.40 1j4s s SER 78 CO 0.18 -0.25 -0.01 -0.69 1.20 0.00 0.00 173.24 173.67 1j4s s VAL 79 N -0.04 0.49 0.46 4.45 1.01 -1.16 -2.27 120.40 123.34 1j4s s VAL 79 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1j4s s VAL 79 Cb -0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1j4s s VAL 79 CO -0.01 0.28 0.07 -1.54 0.00 0.00 0.00 175.10 173.90 1j4s n SER 80 N 5.08 2.33 0.00 3.32 3.41 -0.69 -1.25 113.62 125.82 1j4s n SER 80 Ca -0.08 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.30 1j4s n SER 80 Cb 0.50 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 1j4s n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j4s n GLY 81 N -0.98 -0.24 0.00 5.00 0.00 -0.50 -2.80 105.19 105.67 1j4s n GLY 81 Ca -0.14 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 -3.62 1.61 4.01 -1.25 -2.59 117.16 115.32 1j4s n TYR 82 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 1j4s n TYR 82 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 1j4s n TYR 82 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1j4s s THR 83 N 0.00 5.34 -0.17 -0.72 2.01 -0.60 0.22 115.64 121.72 1j4s s THR 83 Ca 0.00 0.42 -0.28 0.00 0.31 0.00 0.00 61.69 62.14 1j4s s THR 83 Cb 0.00 -3.57 0.10 0.00 0.01 0.00 0.00 72.50 69.04 1j4s s THR 83 CO 0.00 0.43 0.84 -0.83 -0.69 0.00 0.00 174.62 174.37 1j4s s GLY 84 N 0.27 -0.40 1.22 4.40 0.00 -0.62 -1.82 107.32 110.36 1j4s s GLY 84 Ca 0.14 1.91 -0.14 0.00 0.00 0.00 0.00 44.72 46.63 1j4s s GLY 84 CO 0.02 1.30 0.92 -1.55 0.00 0.00 0.00 173.10 173.79 1j4s n PRO 85 N 1.45 -2.77 -3.56 2.90 -0.04 -1.26 -2.61 135.00 129.11 1j4s n PRO 85 Ca -0.14 -0.79 -0.29 0.00 -0.04 0.00 0.00 63.50 62.24 1j4s n PRO 85 Cb 0.57 -2.10 -0.15 0.00 -0.04 0.00 0.00 33.50 31.77 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 -2.35 0.44 -1.08 0.54 5.36 -0.98 -4.88 117.98 115.03 1j4s s PHE 86 Ca 0.68 -0.92 -0.18 0.00 -0.96 0.00 0.00 56.93 55.55 1j4s s PHE 86 Cb -0.24 -0.96 0.12 0.00 -0.34 0.00 0.00 43.02 41.60 1j4s s PHE 86 CO 0.65 -0.81 1.35 -1.12 -1.46 0.00 0.00 175.22 173.83 1j4s s SER 87 N 2.06 6.78 0.00 6.13 0.01 -1.26 -1.51 113.70 125.90 1j4s s SER 87 Ca 0.09 -2.31 0.00 0.00 1.31 0.00 0.00 55.95 55.03 1j4s s SER 87 Cb -0.16 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1j4s s SER 87 CO -0.34 -1.04 0.00 0.00 0.41 0.00 0.00 173.24 172.27 1j4s n ALA 88 N 6.84 0.00 0.90 1.44 0.00 -1.26 -4.67 120.51 123.75 1j4s n ALA 88 Ca 0.33 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.80 1j4s n ALA 88 Cb 0.47 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.16 1.82 -4.06 0.00 -0.00 -1.20 -4.83 117.00 106.58 1j4s n LEU 89 Ca 0.00 -0.91 -0.30 0.00 -0.00 0.00 0.00 56.01 54.79 1j4s n LEU 89 Cb 0.00 -0.30 -0.02 0.00 -0.00 0.00 0.00 43.42 43.10 1j4s n LEU 89 CO 0.00 0.36 -0.11 0.00 -0.00 0.00 0.00 177.39 177.64 1j4s n ALA 90 N 0.26 -1.62 -3.65 1.47 0.00 -1.20 -4.90 120.51 110.87 1j4s n ALA 90 Ca 0.09 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 1j4s n ALA 90 Cb 0.34 -2.65 -0.10 0.00 0.00 0.00 0.00 19.45 17.03 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 -3.61 3.77 0.42 0.00 -1.32 -0.57 -4.94 115.64 109.39 1j4s s THR 91 Ca 0.38 -1.89 0.13 0.00 -1.21 0.00 0.00 61.69 59.09 1j4s s THR 91 Cb -0.20 -3.51 0.17 0.00 -1.51 0.00 0.00 72.50 67.44 1j4s s THR 91 CO 0.90 -0.72 1.95 -0.65 -2.21 0.00 0.00 174.62 173.89 1j4s h PRO 92 N 8.26 0.08 -7.31 7.08 0.11 -1.91 -2.60 132.00 135.71 1j4s h PRO 92 Ca -0.17 -0.02 -0.49 0.00 0.11 0.00 0.00 66.00 65.42 1j4s h PRO 92 Cb 1.06 -0.01 0.15 0.00 0.11 0.00 0.00 31.00 32.31 1j4s h PRO 92 CO 0.78 0.27 0.26 -0.08 -0.21 0.00 0.00 178.00 179.01 1j4s s THR 93 N -4.63 2.77 0.68 -1.15 -1.32 -1.26 -4.80 115.64 105.93 1j4s s THR 93 Ca -0.04 0.25 -0.11 0.00 -1.21 0.00 0.00 61.69 60.57 1j4s s THR 93 Cb 0.16 -2.66 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 1j4s s THR 93 CO 0.71 -0.33 1.06 -2.84 -2.21 0.00 0.00 174.62 171.01 1j4s s PRO 94 N -4.87 3.00 0.06 7.08 0.02 -1.26 -4.05 135.00 134.98 1j4s s PRO 94 Ca 0.63 0.97 -0.11 0.00 0.02 0.00 0.00 61.00 62.51 1j4s s PRO 94 Cb -0.19 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.35 1j4s s PRO 94 CO 0.57 -1.05 0.24 0.08 -0.33 0.00 0.00 177.00 176.51 1j4s s VAL 95 N -3.00 0.11 -0.43 3.83 1.01 -1.07 -2.62 120.40 118.23 1j4s s VAL 95 Ca 0.58 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 1j4s s VAL 95 Cb -0.14 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1j4s s VAL 95 CO 0.53 -0.48 0.90 0.68 0.00 0.00 0.00 175.10 176.73 1j4s s VAL 96 N -2.98 4.54 0.06 2.92 -7.23 -1.06 -1.60 120.40 115.05 1j4s s VAL 96 Ca -0.02 0.84 -0.05 0.00 -1.81 0.00 0.00 61.98 60.94 1j4s s VAL 96 Cb 0.01 -4.38 -0.29 0.00 0.56 0.00 0.00 36.38 32.28 1j4s s VAL 96 CO -0.06 -0.72 1.10 0.03 -0.31 0.00 0.00 175.10 175.14 1j4s h ARG 97 N 8.87 0.30 -5.10 4.82 2.47 0.23 -3.12 114.38 122.85 1j4s h ARG 97 Ca -0.24 -0.51 -0.37 0.00 -1.26 0.00 0.00 59.98 57.61 1j4s h ARG 97 Cb 1.08 0.19 -0.14 0.00 -1.65 0.00 0.00 29.97 29.44 1j4s h ARG 97 CO 1.00 1.23 -0.67 0.45 0.56 0.00 0.00 179.97 182.54 1j4s s SER 98 N -7.17 1.86 -0.23 7.04 0.15 -1.01 -3.12 113.70 111.20 1j4s s SER 98 Ca -0.05 -1.16 -0.06 0.00 0.70 0.00 0.00 55.95 55.39 1j4s s SER 98 Cb 0.07 -0.00 0.12 0.00 -1.71 0.00 0.00 66.02 64.49 1j4s s SER 98 CO 0.89 -0.45 0.46 -0.22 1.20 0.00 0.00 173.24 175.11 1j4s s LEU 99 N -3.27 -0.79 -0.06 3.45 2.96 0.15 -3.92 118.68 117.20 1j4s s LEU 99 Ca 0.25 0.86 0.05 0.00 -0.22 0.00 0.00 54.13 55.07 1j4s s LEU 99 Cb 0.05 1.50 -0.00 0.00 0.50 0.00 0.00 46.19 48.24 1j4s s LEU 99 CO 0.07 -0.25 -0.21 0.28 -1.32 0.00 0.00 176.35 174.91 1j4s s THR 100 N 2.66 1.77 -0.03 3.68 -1.32 -1.12 -2.52 115.64 118.76 1j4s s THR 100 Ca 0.04 -0.89 0.05 0.00 -1.21 0.00 0.00 61.69 59.68 1j4s s THR 100 Cb -0.13 -1.52 -0.02 0.00 -1.51 0.00 0.00 72.50 69.31 1j4s s THR 100 CO -0.15 0.50 -0.18 -0.36 -2.21 0.00 0.00 174.62 172.21 1j4s s PHE 101 N 0.09 2.57 -0.05 9.09 0.08 -1.21 -1.71 117.98 126.83 1j4s s PHE 101 Ca -0.08 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 56.74 1j4s s PHE 101 Cb -0.14 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.75 1j4s s PHE 101 CO 0.04 0.12 -0.11 0.21 -0.10 0.00 0.00 175.22 175.39 1j4s s LYS 102 N -0.76 1.45 0.23 0.44 2.47 -0.96 -0.75 119.74 121.85 1j4s s LYS 102 Ca 0.11 -0.36 -0.06 0.00 -1.56 0.00 0.00 55.97 54.10 1j4s s LYS 102 Cb -0.10 -1.24 -0.06 0.00 -1.46 0.00 0.00 37.83 34.96 1j4s s LYS 102 CO 0.00 0.04 0.50 0.99 0.16 0.00 0.00 175.35 177.04 1j4s s THR 103 N 0.60 5.03 0.47 3.43 2.01 0.03 -0.45 115.64 126.76 1j4s s THR 103 Ca -0.12 0.18 0.34 0.00 0.31 0.00 0.00 61.69 62.40 1j4s s THR 103 Cb -0.14 -3.66 0.37 0.00 0.01 0.00 0.00 72.50 69.07 1j4s s THR 103 CO 0.03 -0.14 2.18 -0.55 -0.69 0.00 0.00 174.62 175.45 1j4s h ASN 104 N 2.28 0.00 0.09 3.53 -0.00 -1.36 -1.69 115.58 118.44 1j4s h ASN 104 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.83 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 0.69 0.05 -0.09 0.29 -0.00 0.00 0.00 177.43 178.37 1j4s n LYS 105 N -3.41 1.33 0.00 4.14 4.01 -1.26 -4.96 118.16 118.00 1j4s n LYS 105 Ca -0.02 -0.75 0.00 0.00 -0.51 0.00 0.00 58.31 57.03 1j4s n LYS 105 Cb 0.18 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 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 1.23 0.64 3.71 0.72 0.00 -0.63 -5.08 105.19 105.78 1j4s n GLY 106 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1j4s n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4s s ARG 107 N -0.62 4.18 -0.26 1.61 0.52 -1.26 -4.86 118.95 118.27 1j4s s ARG 107 Ca 0.00 -0.14 -0.09 0.00 -0.52 0.00 0.00 55.73 54.98 1j4s s ARG 107 Cb 0.00 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 1j4s s ARG 107 CO 0.00 0.23 0.13 -0.08 0.02 0.00 0.00 175.30 175.59 1j4s s THR 108 N 0.55 4.83 -0.92 0.02 -1.32 -1.26 -0.79 115.64 116.75 1j4s s THR 108 Ca 0.10 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.38 1j4s s THR 108 Cb -0.12 -3.27 0.10 0.00 -1.51 0.00 0.00 72.50 67.69 1j4s s THR 108 CO 0.01 0.31 1.20 -0.36 -2.21 0.00 0.00 174.62 173.57 1j4s s PHE 109 N 1.55 2.88 0.04 9.09 0.08 0.07 -4.97 117.98 126.72 1j4s s PHE 109 Ca 0.06 -1.10 -0.03 0.00 0.12 0.00 0.00 56.93 55.99 1j4s s PHE 109 Cb -0.15 -4.41 -0.02 0.00 -0.57 0.00 0.00 43.02 37.87 1j4s s PHE 109 CO 0.07 -1.65 0.03 0.41 -0.10 0.00 0.00 175.22 173.98 1j4s n GLY 110 N 5.87 -0.27 3.60 4.36 0.00 -1.26 -3.35 105.19 114.13 1j4s n GLY 110 Ca 0.23 0.02 -0.57 0.00 0.00 0.00 0.00 46.02 45.70 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 0.14 0.96 -4.09 1.61 -0.04 -1.26 -4.87 135.00 127.44 1j4s n PRO 111 Ca 0.02 0.33 -0.36 0.00 -0.04 0.00 0.00 63.50 63.44 1j4s n PRO 111 Cb 0.04 -2.10 -0.08 0.00 -0.04 0.00 0.00 33.50 31.33 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 4.73 3.41 0.00 0.54 2.02 -1.05 -4.92 117.35 122.08 1j4s s TYR 112 Ca 1.04 0.38 0.00 0.00 -0.37 0.00 0.00 57.07 58.12 1j4s s TYR 112 Cb -1.09 -1.88 0.00 0.00 -0.40 0.00 0.00 41.96 38.60 1j4s s TYR 112 CO 0.63 0.62 0.00 0.41 -1.57 0.00 0.00 175.55 175.63 1j4s n GLY 113 N 2.06 -0.83 3.65 0.71 0.00 -1.26 -0.68 105.19 108.85 1j4s n GLY 113 Ca -0.19 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.99 6.88 0.00 1.61 1.47 -1.18 -4.61 116.67 118.85 1j4s s ASP 114 Ca 0.00 1.09 -0.02 0.00 1.18 0.00 0.00 52.55 54.80 1j4s s ASP 114 Cb 0.00 -2.45 -0.03 0.00 -0.34 0.00 0.00 42.92 40.11 1j4s s ASP 114 CO 0.00 -0.49 0.39 -0.62 0.68 0.00 0.00 175.17 175.13 1j4s n GLU 115 N 5.80 0.00 -4.42 2.11 4.71 -1.26 -4.18 120.64 123.40 1j4s n GLU 115 Ca 0.06 -0.15 -0.22 0.00 -0.01 0.00 0.00 57.16 56.83 1j4s n GLU 115 Cb 0.48 -1.27 -0.16 0.00 -1.01 0.00 0.00 31.44 29.48 1j4s n GLU 115 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1j4s s GLU 116 N 2.52 1.24 0.00 3.49 2.12 -1.26 -5.04 118.70 121.77 1j4s s GLU 116 Ca 0.05 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1j4s s GLU 116 Cb 0.01 -1.10 0.00 0.00 0.26 0.00 0.00 34.13 33.30 1j4s s GLU 116 CO 0.02 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 1j4s n GLY 117 N 3.73 0.08 3.56 -1.50 0.00 -1.26 -4.32 105.19 105.48 1j4s n GLY 117 Ca -0.22 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 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 0.00 4.75 0.66 2.61 -1.32 -0.75 -4.76 115.64 116.82 1j4s s THR 118 Ca 0.00 0.59 -0.17 0.00 -1.21 0.00 0.00 61.69 60.90 1j4s s THR 118 Cb 0.00 -4.22 -0.02 0.00 -1.51 0.00 0.00 72.50 66.75 1j4s s THR 118 CO 0.00 -0.52 1.03 0.00 -2.21 0.00 0.00 174.62 172.92 1j4s n TYR 119 N 6.42 0.98 -4.05 9.09 9.36 -1.26 -1.56 117.16 136.14 1j4s n TYR 119 Ca 0.01 0.42 -0.13 0.00 3.32 0.00 0.00 57.90 61.52 1j4s n TYR 119 Cb 0.48 -2.14 -0.13 0.00 -0.63 0.00 0.00 39.34 36.92 1j4s n TYR 119 CO 0.00 0.00 0.00 -0.59 0.22 0.00 0.00 176.86 176.49 1j4s s PHE 120 N -1.59 0.42 -0.11 2.98 -0.12 -1.26 -4.84 117.98 113.46 1j4s s PHE 120 Ca 0.77 -0.28 -0.05 0.00 -0.05 0.00 0.00 56.93 57.32 1j4s s PHE 120 Cb -0.38 -0.27 0.05 0.00 -0.63 0.00 0.00 43.02 41.79 1j4s s PHE 120 CO 0.46 -0.06 0.25 1.21 -0.05 0.00 0.00 175.22 177.03 1j4s s ASN 121 N -0.79 -0.22 -0.36 1.98 2.47 -1.26 -1.41 114.94 115.34 1j4s s ASN 121 Ca -0.05 0.54 -0.00 0.00 0.42 0.00 0.00 52.86 53.77 1j4s s ASN 121 Cb -0.06 0.44 0.12 0.00 -1.45 0.00 0.00 41.25 40.30 1j4s s ASN 121 CO -0.00 -0.17 0.18 -0.22 -3.72 0.00 0.00 177.10 173.16 1j4s s LEU 122 N 1.35 1.83 0.26 3.21 2.96 -0.38 -4.99 118.68 122.92 1j4s s LEU 122 Ca -0.09 -2.07 -0.21 0.00 -0.22 0.00 0.00 54.13 51.55 1j4s s LEU 122 Cb -0.10 -0.73 -0.09 0.00 0.50 0.00 0.00 46.19 45.77 1j4s s LEU 122 CO -0.09 -0.34 0.78 -2.16 -1.32 0.00 0.00 176.35 173.22 1j4s s PRO 123 N 1.12 4.30 -0.10 0.98 0.04 -1.26 -2.97 135.00 137.11 1j4s s PRO 123 Ca 0.14 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.17 1j4s s PRO 123 Cb -0.21 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.54 1j4s s PRO 123 CO -0.11 0.33 -0.16 0.96 0.04 0.00 0.00 177.00 178.07 1j4s s ILE 124 N -1.61 1.48 -0.13 0.56 -4.36 -0.13 -4.97 121.20 112.05 1j4s s ILE 124 Ca 0.46 -0.65 0.19 0.00 -0.26 0.00 0.00 60.65 60.39 1j4s s ILE 124 Cb -0.16 -1.34 -0.24 0.00 1.25 0.00 0.00 42.46 41.97 1j4s s ILE 124 CO 0.21 0.44 0.44 -0.62 0.24 0.00 0.00 174.94 175.65 1j4s n GLU 125 N 4.02 0.66 -3.15 0.37 1.02 -1.26 -4.90 120.64 117.40 1j4s n GLU 125 Ca -0.20 0.01 0.04 0.00 -0.02 0.00 0.00 57.16 57.00 1j4s n GLU 125 Cb 0.52 -1.62 -0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1j4s n GLU 125 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1j4s s ASN 126 N -5.31 -1.38 0.00 1.62 2.47 -1.26 -5.14 114.94 105.95 1j4s s ASN 126 Ca -0.07 0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.44 1j4s s ASN 126 Cb 0.09 1.90 0.00 0.00 -1.45 0.00 0.00 41.25 41.79 1j4s s ASN 126 CO 0.85 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 174.58 1j4s n GLY 127 N 5.37 -1.41 3.38 1.21 0.00 -1.26 -4.98 105.19 107.49 1j4s n GLY 127 Ca 0.05 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 45.00 1j4s n GLY 127 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j4s s LEU 128 N 0.00 -0.69 -0.15 0.99 2.96 0.16 -4.89 118.68 117.06 1j4s s LEU 128 Ca 0.00 1.14 -0.29 0.00 -0.22 0.00 0.00 54.13 54.76 1j4s s LEU 128 Cb 0.00 1.63 -0.02 0.00 0.50 0.00 0.00 46.19 48.30 1j4s s LEU 128 CO 0.00 -0.22 1.36 -0.63 -1.32 0.00 0.00 176.35 175.53 1j4s s ILE 129 N 2.41 4.11 0.00 6.68 1.01 -1.26 -0.94 121.20 133.21 1j4s s ILE 129 Ca -0.04 1.33 0.00 0.00 0.00 0.00 0.00 60.65 61.94 1j4s s ILE 129 Cb -0.11 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1j4s s ILE 129 CO -0.15 -0.14 0.84 0.52 0.00 0.00 0.00 174.94 176.01 1j4s n VAL 130 N 5.47 0.70 0.00 2.92 0.31 -0.96 -4.49 118.33 122.28 1j4s n VAL 130 Ca 0.15 -0.81 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1j4s n VAL 130 Cb 0.44 0.67 0.00 0.00 -0.91 0.00 0.00 33.84 34.04 1j4s n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j4s n GLY 131 N -0.35 1.87 3.70 2.92 0.00 -1.26 0.14 105.19 112.22 1j4s n GLY 131 Ca 0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.37 3.08 0.06 1.61 0.08 -1.26 -1.95 117.98 118.22 1j4s s PHE 132 Ca 0.00 0.05 0.06 0.00 0.12 0.00 0.00 56.93 57.16 1j4s s PHE 132 Cb 0.00 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.80 1j4s s PHE 132 CO 0.00 0.48 -0.17 0.21 -0.10 0.00 0.00 175.22 175.64 1j4s s LYS 133 N -1.93 1.04 0.00 0.44 2.47 -1.14 -0.80 119.74 119.83 1j4s s LYS 133 Ca 0.23 -0.91 0.00 0.00 -1.56 0.00 0.00 55.97 53.73 1j4s s LYS 133 Cb -0.12 -1.12 0.00 0.00 -1.46 0.00 0.00 37.83 35.13 1j4s s LYS 133 CO 0.15 0.27 0.00 0.41 0.16 0.00 0.00 175.35 176.34 1j4s n GLY 134 N 1.61 -0.68 3.34 5.54 0.00 -0.86 -0.37 105.19 113.78 1j4s n GLY 134 Ca -0.19 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.00 1.30 -0.08 1.61 0.52 -1.23 -0.01 118.95 119.06 1j4s s ARG 135 Ca 0.00 -1.37 -0.09 0.00 -0.52 0.00 0.00 55.73 53.75 1j4s s ARG 135 Cb 0.00 -1.48 0.02 0.00 0.52 0.00 0.00 34.95 34.01 1j4s s ARG 135 CO 0.00 0.32 0.25 0.99 0.02 0.00 0.00 175.30 176.88 1j4s s THR 136 N -1.70 0.01 0.00 0.02 2.01 -1.10 -1.74 115.64 113.14 1j4s s THR 136 Ca 0.14 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1j4s s THR 136 Cb -0.07 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.05 1j4s s THR 136 CO 0.07 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1j4s n GLY 137 N 2.67 0.15 0.03 4.40 0.00 -1.26 0.77 105.19 111.95 1j4s n GLY 137 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.69 3.63 -4.71 1.61 8.00 -1.26 -4.97 116.55 118.16 1j4s n ASP 138 Ca 0.00 -0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1j4s n ASP 138 Cb 0.00 0.60 -0.09 0.00 -0.02 0.00 0.00 41.12 41.61 1j4s n ASP 138 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1j4s s LEU 139 N -4.45 2.50 -1.07 0.64 2.01 -1.26 -4.74 118.68 112.32 1j4s s LEU 139 Ca -0.03 -1.55 -0.22 0.00 0.01 0.00 0.00 54.13 52.34 1j4s s LEU 139 Cb 0.02 -0.79 0.02 0.00 0.01 0.00 0.00 46.19 45.45 1j4s s LEU 139 CO 0.22 -0.71 1.65 -0.22 1.01 0.00 0.00 176.35 178.31 1j4s s LEU 140 N -3.81 3.46 0.29 1.79 2.96 0.16 -4.48 118.68 119.05 1j4s s LEU 140 Ca 0.16 -1.51 0.01 0.00 -0.22 0.00 0.00 54.13 52.57 1j4s s LEU 140 Cb 0.05 -2.57 0.54 0.00 0.50 0.00 0.00 46.19 44.71 1j4s s LEU 140 CO 0.08 -1.83 1.86 0.44 -1.32 0.00 0.00 176.35 175.59 1j4s h ASP 141 N 9.65 0.93 -5.34 3.68 5.19 -1.62 -2.81 116.42 126.09 1j4s h ASP 141 Ca 0.23 0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.55 1j4s h ASP 141 Cb 0.97 -0.16 -0.12 0.00 0.18 0.00 0.00 39.33 40.21 1j4s h ASP 141 CO 1.37 0.53 -0.34 0.00 -3.12 0.00 0.00 179.24 177.68 1j4s s ALA 142 N -5.94 0.23 -0.02 3.45 0.00 -1.20 -1.82 121.76 116.47 1j4s s ALA 142 Ca -0.12 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1j4s s ALA 142 Cb 0.21 1.05 0.03 0.00 0.00 0.00 0.00 23.12 24.41 1j4s s ALA 142 CO 0.81 -0.69 0.02 -1.50 0.00 0.00 0.00 175.76 174.39 1j4s s ILE 143 N -4.03 0.01 0.32 0.00 2.07 0.91 -3.49 121.20 116.99 1j4s s ILE 143 Ca 0.24 0.15 0.08 0.00 -1.41 0.00 0.00 60.65 59.71 1j4s s ILE 143 Cb 0.03 -0.12 -0.06 0.00 0.13 0.00 0.00 42.46 42.44 1j4s s ILE 143 CO 0.06 0.09 -0.06 -0.83 -1.91 0.00 0.00 174.94 172.29 1j4s s GLY 144 N 0.91 2.06 0.02 1.50 0.00 0.50 -0.71 107.32 111.61 1j4s s GLY 144 Ca -0.08 -2.03 -0.03 0.00 0.00 0.00 0.00 44.72 42.59 1j4s s GLY 144 CO -0.02 -1.94 0.03 -1.50 0.00 0.00 0.00 173.10 169.66 1j4s s ILE 145 N -2.84 0.12 0.12 0.90 1.10 -1.08 -2.88 121.20 116.64 1j4s s ILE 145 Ca 0.32 -0.98 0.11 0.00 -0.51 0.00 0.00 60.65 59.58 1j4s s ILE 145 Cb 0.04 -0.52 -0.04 0.00 0.15 0.00 0.00 42.46 42.09 1j4s s ILE 145 CO 0.15 -0.54 -0.26 -1.00 -2.11 0.00 0.00 174.94 171.17 1j4s s HIS 146 N -1.87 2.33 0.08 3.50 3.76 -0.82 -1.57 115.29 120.71 1j4s s HIS 146 Ca -0.12 -0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1j4s s HIS 146 Cb -0.06 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 1j4s s HIS 146 CO -0.02 0.32 -0.02 -1.64 -0.85 0.00 0.00 174.74 172.53 1j4s s MET 147 N -1.98 0.75 0.24 1.40 1.00 0.74 -2.27 119.30 119.18 1j4s s MET 147 Ca 0.14 -1.30 -0.17 0.00 0.00 0.00 0.00 55.69 54.36 1j4s s MET 147 Cb -0.10 0.10 0.01 0.00 0.00 0.00 0.00 34.83 34.84 1j4s s MET 147 CO 0.06 -0.12 0.57 -1.12 0.00 0.00 0.00 175.02 174.40 1j4s s SER 148 N -2.99 -0.19 0.00 3.03 0.01 -0.11 -3.44 113.70 110.01 1j4s s SER 148 Ca 0.12 -0.71 0.25 0.00 1.31 0.00 0.00 55.95 56.93 1j4s s SER 148 Cb 0.07 0.63 0.47 0.00 0.21 0.00 0.00 66.02 67.40 1j4s s SER 148 CO -0.06 -1.18 1.42 0.18 0.41 0.00 0.00 173.24 174.01