#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4t s GLN 3 N 0.00 2.35 0.05 4.33 -2.07 -1.26 -5.09 119.66 117.97 1j4t s GLN 3 Ca 0.00 -1.77 -0.01 0.00 -1.82 0.00 0.00 55.36 51.76 1j4t s GLN 3 Cb 0.00 -2.16 -0.03 0.00 -1.09 0.00 0.00 33.01 29.73 1j4t s GLN 3 CO 0.00 -0.26 -0.01 -0.08 -1.32 0.00 0.00 175.29 173.62 1j4t s THR 4 N -2.59 0.19 -0.29 3.63 -1.32 -1.26 -5.08 115.64 108.92 1j4t s THR 4 Ca 0.42 -1.58 -0.29 0.00 -1.21 0.00 0.00 61.69 59.03 1j4t s THR 4 Cb -0.00 -1.26 -0.01 0.00 -1.51 0.00 0.00 72.50 69.72 1j4t s THR 4 CO 0.24 -0.87 1.46 -0.63 -2.21 0.00 0.00 174.62 172.60 1j4t s ILE 5 N -3.42 3.91 -0.18 5.08 1.01 -1.17 -4.85 121.20 121.57 1j4t s ILE 5 Ca 0.02 1.01 -0.08 0.00 0.00 0.00 0.00 60.65 61.60 1j4t s ILE 5 Cb 0.04 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1j4t s ILE 5 CO -0.08 -0.44 0.08 -0.89 0.00 0.00 0.00 174.94 173.61 1j4t s THR 6 N 4.95 4.98 0.21 2.92 2.01 -1.26 -0.27 115.64 129.17 1j4t s THR 6 Ca 0.64 0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.76 1j4t s THR 6 Cb -0.20 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1j4t s THR 6 CO 0.27 0.46 -0.17 0.54 -0.69 0.00 0.00 174.62 175.04 1j4t s VAL 7 N 0.30 1.93 0.07 3.82 0.11 0.30 -4.99 120.40 121.94 1j4t s VAL 7 Ca 0.05 -2.18 0.00 0.00 -2.93 0.00 0.00 61.98 56.92 1j4t s VAL 7 Cb -0.12 -2.05 0.00 0.00 -1.53 0.00 0.00 36.38 32.68 1j4t s VAL 7 CO -0.00 -0.48 0.00 0.61 -3.33 0.00 0.00 175.10 171.90 1j4t n GLY 8 N -0.25 -1.44 3.00 6.54 0.00 -1.26 -2.16 105.19 109.62 1j4t n GLY 8 Ca -0.09 -1.15 0.02 0.00 0.00 0.00 0.00 46.02 44.81 1j4t n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4t s SER 9 N -4.52 -0.83 -0.29 1.61 0.01 -1.26 -4.79 113.70 103.64 1j4t s SER 9 Ca 0.00 -0.27 -0.07 0.00 1.31 0.00 0.00 55.95 56.92 1j4t s SER 9 Cb 0.00 1.19 -0.00 0.00 0.21 0.00 0.00 66.02 67.42 1j4t s SER 9 CO 0.00 -0.11 0.09 0.26 0.41 0.00 0.00 173.24 173.89 1j4t s TRP 10 N 2.20 3.14 -4.32 2.43 0.51 -0.41 -4.76 118.94 117.73 1j4t s TRP 10 Ca 0.17 -0.81 0.00 0.00 -2.12 0.00 0.00 56.10 53.34 1j4t s TRP 10 Cb -0.01 -2.27 0.00 0.00 -0.81 0.00 0.00 33.47 30.38 1j4t s TRP 10 CO -0.15 -0.52 0.00 0.41 -0.51 0.00 0.00 176.95 176.18 1j4t n GLY 11 N 4.90 0.92 3.02 0.98 0.00 -1.26 -0.46 105.19 113.28 1j4t n GLY 11 Ca -0.15 -1.97 -0.20 0.00 0.00 0.00 0.00 46.02 43.70 1j4t n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4t n GLY 12 N -0.38 -0.31 1.17 -0.02 0.00 0.16 -4.79 105.19 101.02 1j4t n GLY 12 Ca 0.00 -1.87 0.08 0.00 0.00 0.00 0.00 46.02 44.23 1j4t n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4t n PRO 13 N -2.79 3.39 0.00 1.61 -0.04 -1.26 -4.25 135.00 131.65 1j4t n PRO 13 Ca 0.13 -2.71 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1j4t n PRO 13 Cb 0.46 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1j4t n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j4t n GLY 14 N 0.40 0.15 7.00 0.55 0.00 -1.26 -4.96 105.19 107.07 1j4t n GLY 14 Ca 0.21 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1j4t n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4t n GLY 15 N 5.00 -0.25 3.36 -0.02 0.00 -1.26 -4.74 105.19 107.28 1j4t n GLY 15 Ca 0.00 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 1j4t n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j4t s ASN 16 N -4.00 3.84 0.41 1.61 -0.87 0.13 -4.82 114.94 111.25 1j4t s ASN 16 Ca 0.00 -0.35 -0.22 0.00 -1.57 0.00 0.00 52.86 50.72 1j4t s ASN 16 Cb 0.00 -1.43 -0.10 0.00 -0.02 0.00 0.00 41.25 39.70 1j4t s ASN 16 CO 0.00 0.20 0.96 -0.83 -2.57 0.00 0.00 177.10 174.86 1j4t s GLY 17 N 0.16 2.51 0.14 0.66 0.00 -1.26 -0.01 107.32 109.52 1j4t s GLY 17 Ca -0.08 0.47 -0.07 0.00 0.00 0.00 0.00 44.72 45.03 1j4t s GLY 17 CO 0.05 0.79 0.22 0.66 0.00 0.00 0.00 173.10 174.82 1j4t s TRP 18 N -2.00 0.46 -0.26 1.90 -2.14 0.68 -4.91 118.94 112.66 1j4t s TRP 18 Ca 0.60 -0.84 -0.02 0.00 2.66 0.00 0.00 56.10 58.50 1j4t s TRP 18 Cb -0.13 -0.15 0.15 0.00 -3.10 0.00 0.00 33.47 30.25 1j4t s TRP 18 CO 0.17 -0.64 0.47 0.34 -2.66 0.00 0.00 176.95 174.62 1j4t s ASP 19 N -2.97 -0.41 0.39 -2.66 -1.08 -1.26 -1.86 116.67 106.82 1j4t s ASP 19 Ca 0.16 0.51 0.21 0.00 -0.52 0.00 0.00 52.55 52.91 1j4t s ASP 19 Cb 0.04 1.54 0.36 0.00 -1.46 0.00 0.00 42.92 43.41 1j4t s ASP 19 CO -0.02 -0.28 1.59 -0.33 0.52 0.00 0.00 175.17 176.66 1j4t h GLU 20 N 8.11 0.00 0.00 4.34 5.08 -1.86 -3.50 114.58 126.76 1j4t h GLU 20 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1j4t h GLU 20 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1j4t h GLU 20 CO 0.26 0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.89 1j4t n GLY 21 N 0.99 -3.20 3.80 -3.84 0.00 -1.26 -4.94 105.19 96.74 1j4t n GLY 21 Ca 0.03 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 1j4t n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4t s SER 22 N -1.77 6.99 0.00 1.61 0.01 -1.26 -4.37 113.70 114.91 1j4t s SER 22 Ca 0.00 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1j4t s SER 22 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1j4t s SER 22 CO 0.00 0.22 0.00 -1.22 0.41 0.00 0.00 173.24 172.65 1j4t n TYR 23 N 2.11 0.00 -0.02 2.43 4.01 -0.98 -5.04 117.16 119.67 1j4t n TYR 23 Ca -0.10 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.68 1j4t n TYR 23 Cb 0.51 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.44 1j4t n TYR 23 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1j4t n THR 24 N 0.00 0.16 -3.84 -0.72 -1.04 -0.97 -4.89 114.28 102.97 1j4t n THR 24 Ca 0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1j4t n THR 24 Cb 0.00 0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 1j4t n THR 24 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j4t n GLY 25 N 1.87 0.62 2.92 3.41 0.00 -1.17 -4.92 105.19 107.91 1j4t n GLY 25 Ca -0.06 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 1j4t n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4t s ILE 26 N -2.16 0.77 -0.19 -0.61 1.01 -1.26 0.16 121.20 118.91 1j4t s ILE 26 Ca 0.05 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 1j4t s ILE 26 Cb -0.00 -0.77 -0.20 0.00 0.01 0.00 0.00 42.46 41.49 1j4t s ILE 26 CO -0.00 0.29 0.10 0.54 0.00 0.00 0.00 174.94 175.87 1j4t n ARG 27 N 4.28 0.66 -3.75 2.79 5.12 0.19 -4.81 116.66 121.14 1j4t n ARG 27 Ca -0.20 0.32 -0.13 0.00 -1.93 0.00 0.00 57.85 55.91 1j4t n ARG 27 Cb 0.51 -1.65 -0.11 0.00 -1.16 0.00 0.00 32.46 30.05 1j4t n ARG 27 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1j4t s GLN 28 N -2.50 0.35 -0.23 5.56 0.74 -1.07 -0.24 119.66 122.28 1j4t s GLN 28 Ca -0.29 0.49 -0.07 0.00 0.05 0.00 0.00 55.36 55.54 1j4t s GLN 28 Cb 0.08 0.12 -0.03 0.00 1.10 0.00 0.00 33.01 34.28 1j4t s GLN 28 CO 0.65 -0.07 0.07 0.42 -0.55 0.00 0.00 175.29 175.80 1j4t s ILE 29 N 0.45 4.45 -0.25 -2.34 1.01 0.10 -0.63 121.20 123.99 1j4t s ILE 29 Ca -0.02 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.52 1j4t s ILE 29 Cb -0.04 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.43 1j4t s ILE 29 CO -0.02 0.37 -0.11 -1.61 0.00 0.00 0.00 174.94 173.57 1j4t s GLU 30 N 1.24 2.23 0.08 2.79 2.02 -0.71 0.22 118.70 126.57 1j4t s GLU 30 Ca 0.05 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.76 1j4t s GLU 30 Cb -0.14 -2.83 -0.00 0.00 0.10 0.00 0.00 34.13 31.25 1j4t s GLU 30 CO 0.03 -0.55 0.00 1.47 0.02 0.00 0.00 175.26 176.24 1j4t n LEU 31 N 4.47 0.00 -3.82 1.80 -0.00 -1.25 0.02 117.00 118.22 1j4t n LEU 31 Ca -0.14 -0.49 -0.12 0.00 -0.00 0.00 0.00 56.01 55.26 1j4t n LEU 31 Cb 0.43 0.07 -0.12 0.00 -0.00 0.00 0.00 43.42 43.81 1j4t n LEU 31 CO 0.21 -0.07 -0.15 -0.94 -0.00 0.00 0.00 177.39 176.44 1j4t s SER 32 N -1.42 -0.15 0.22 1.45 1.04 -0.70 -2.80 113.70 111.34 1j4t s SER 32 Ca 0.01 0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 1j4t s SER 32 Cb 0.00 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1j4t s SER 32 CO 0.00 -0.15 0.17 -0.72 0.98 0.00 0.00 173.24 173.52 1j4t s TYR 33 N -0.28 1.19 0.00 5.02 1.13 -0.61 -0.79 117.35 123.01 1j4t s TYR 33 Ca -0.04 -1.38 0.00 0.00 -1.41 0.00 0.00 57.07 54.24 1j4t s TYR 33 Cb -0.03 -0.54 0.00 0.00 -1.10 0.00 0.00 41.96 40.29 1j4t s TYR 33 CO 0.01 -0.69 0.00 1.17 -2.51 0.00 0.00 175.55 173.53 1j4t n LYS 34 N -0.32 0.00 -0.10 -3.49 3.00 -1.26 -0.95 118.16 115.04 1j4t n LYS 34 Ca 0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.20 1j4t n LYS 34 Cb 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.59 1j4t n LYS 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1j4t n GLU 35 N -1.78 0.57 -4.75 1.64 4.71 -1.26 -4.01 120.64 115.75 1j4t n GLU 35 Ca 0.00 0.11 -0.33 0.00 -0.01 0.00 0.00 57.16 56.93 1j4t n GLU 35 Cb 0.00 -1.41 -0.07 0.00 -1.01 0.00 0.00 31.44 28.95 1j4t n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j4t s ALA 36 N -2.41 4.08 -0.34 0.62 0.00 -1.26 -1.59 121.76 120.86 1j4t s ALA 36 Ca -0.26 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 1j4t s ALA 36 Cb 0.07 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1j4t s ALA 36 CO 0.48 -0.04 0.26 0.42 0.00 0.00 0.00 175.76 176.88 1j4t s ILE 37 N -2.92 5.27 0.00 0.00 -1.09 -0.82 -4.49 121.20 117.15 1j4t s ILE 37 Ca 0.05 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 1j4t s ILE 37 Cb 0.01 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1j4t s ILE 37 CO 0.03 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 1j4t n GLY 38 N 5.08 0.65 3.84 6.18 0.00 0.03 -1.80 105.19 119.16 1j4t n GLY 38 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1j4t n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4t s SER 39 N -1.00 6.31 -0.30 1.61 0.01 -1.26 -3.51 113.70 115.57 1j4t s SER 39 Ca 0.00 1.61 -0.05 0.00 1.31 0.00 0.00 55.95 58.82 1j4t s SER 39 Cb 0.00 -2.51 0.17 0.00 0.21 0.00 0.00 66.02 63.90 1j4t s SER 39 CO 0.00 -0.80 0.66 0.12 0.41 0.00 0.00 173.24 173.63 1j4t s PHE 40 N -2.69 -1.42 0.15 2.43 2.19 0.12 -1.71 117.98 117.05 1j4t s PHE 40 Ca 0.59 1.75 0.01 0.00 0.33 0.00 0.00 56.93 59.61 1j4t s PHE 40 Cb -0.12 0.59 -0.04 0.00 -1.31 0.00 0.00 43.02 42.14 1j4t s PHE 40 CO 0.37 -0.76 -0.00 0.45 1.83 0.00 0.00 175.22 177.11 1j4t s SER 41 N 2.86 1.07 -0.17 6.13 0.15 0.10 -2.45 113.70 121.39 1j4t s SER 41 Ca 0.12 -1.15 -0.12 0.00 0.70 0.00 0.00 55.95 55.49 1j4t s SER 41 Cb -0.14 0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.37 1j4t s SER 41 CO -0.20 -0.58 0.43 0.54 1.20 0.00 0.00 173.24 174.64 1j4t s VAL 42 N -3.71 -0.01 -0.49 4.45 0.11 -1.26 -1.73 120.40 117.76 1j4t s VAL 42 Ca 0.22 0.04 -0.19 0.00 -2.93 0.00 0.00 61.98 59.12 1j4t s VAL 42 Cb 0.06 -0.62 0.05 0.00 -1.53 0.00 0.00 36.38 34.34 1j4t s VAL 42 CO 0.02 0.02 0.60 -0.63 -3.33 0.00 0.00 175.10 171.78 1j4t s ILE 43 N 0.81 4.90 0.68 7.04 1.01 0.19 -0.76 121.20 135.08 1j4t s ILE 43 Ca -0.05 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 1j4t s ILE 43 Cb -0.06 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 38.16 1j4t s ILE 43 CO -0.06 -0.73 1.06 -0.31 0.00 0.00 0.00 174.94 174.90 1j4t s TYR 44 N 2.57 3.32 -0.25 3.97 2.02 0.17 0.54 117.35 129.70 1j4t s TYR 44 Ca 0.15 1.26 -0.10 0.00 -0.37 0.00 0.00 57.07 58.01 1j4t s TYR 44 Cb -0.18 -2.88 -0.05 0.00 -0.40 0.00 0.00 41.96 38.44 1j4t s TYR 44 CO 0.13 -1.08 0.16 0.34 -1.57 0.00 0.00 175.55 173.53 1j4t s ASP 45 N -4.07 6.00 -0.38 2.29 2.15 0.12 0.02 116.67 122.80 1j4t s ASP 45 Ca 0.57 0.06 -0.04 0.00 0.43 0.00 0.00 52.55 53.57 1j4t s ASP 45 Cb -0.12 -2.09 0.09 0.00 -0.30 0.00 0.00 42.92 40.50 1j4t s ASP 45 CO 0.54 0.04 0.17 -0.22 -0.17 0.00 0.00 175.17 175.52 1j4t s LEU 46 N 1.23 4.93 -1.35 -1.34 2.96 -0.31 -2.30 118.68 122.50 1j4t s LEU 46 Ca 0.07 -1.78 -0.04 0.00 -0.22 0.00 0.00 54.13 52.16 1j4t s LEU 46 Cb -0.14 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.74 1j4t s LEU 46 CO 0.06 -0.48 0.85 0.59 -1.32 0.00 0.00 176.35 176.05 1j4t n ASN 47 N 4.65 -2.53 0.00 3.68 5.03 -1.26 -1.85 115.26 122.98 1j4t n ASN 47 Ca -0.06 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.63 1j4t n ASN 47 Cb 0.42 -4.26 0.00 0.00 -1.02 0.00 0.00 39.78 34.92 1j4t n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j4t n GLY 48 N -1.57 2.93 3.54 7.41 0.00 -1.26 -4.99 105.19 111.24 1j4t n GLY 48 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1j4t n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4t s ASP 49 N -2.08 4.75 0.23 1.61 1.01 -0.77 -5.05 116.67 116.36 1j4t s ASP 49 Ca 0.00 -0.07 -0.32 0.00 0.71 0.00 0.00 52.55 52.87 1j4t s ASP 49 Cb 0.00 -1.51 -0.12 0.00 1.01 0.00 0.00 42.92 42.29 1j4t s ASP 49 CO 0.00 0.26 1.64 -2.65 0.21 0.00 0.00 175.17 174.63 1j4t n PRO 50 N 2.89 2.59 -4.62 8.23 -0.02 -1.26 -1.16 135.00 141.64 1j4t n PRO 50 Ca -0.18 0.93 -0.27 0.00 -2.02 0.00 0.00 63.50 61.97 1j4t n PRO 50 Cb 0.53 -2.73 -0.17 0.00 -0.02 0.00 0.00 33.50 31.11 1j4t n PRO 50 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1j4t s PHE 51 N 0.68 1.72 -0.25 6.00 2.19 0.10 -4.79 117.98 123.63 1j4t s PHE 51 Ca 0.72 -0.70 -0.29 0.00 0.33 0.00 0.00 56.93 56.99 1j4t s PHE 51 Cb -0.54 -1.24 0.01 0.00 -1.31 0.00 0.00 43.02 39.93 1j4t s PHE 51 CO 0.39 -0.35 1.14 -1.54 1.83 0.00 0.00 175.22 176.70 1j4t s SER 52 N 0.73 6.95 0.78 6.13 1.04 -1.26 0.46 113.70 128.53 1j4t s SER 52 Ca -0.13 1.32 -0.11 0.00 0.48 0.00 0.00 55.95 57.51 1j4t s SER 52 Cb -0.16 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.48 1j4t s SER 52 CO 0.03 -0.82 1.08 -0.83 0.98 0.00 0.00 173.24 173.69 1j4t s GLY 53 N 1.75 1.64 1.09 7.32 0.00 0.06 -4.88 107.32 114.31 1j4t s GLY 53 Ca 0.49 -0.02 -0.15 0.00 0.00 0.00 0.00 44.72 45.04 1j4t s GLY 53 CO 0.13 0.37 0.52 -1.05 0.00 0.00 0.00 173.10 173.08 1j4t n PRO 54 N -3.44 -1.55 -3.87 2.90 -0.02 -1.26 -4.67 135.00 123.09 1j4t n PRO 54 Ca 0.07 -0.42 -0.36 0.00 -2.02 0.00 0.00 63.50 60.78 1j4t n PRO 54 Cb 0.55 -1.95 -0.11 0.00 -0.02 0.00 0.00 33.50 31.97 1j4t n PRO 54 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j4t s LYS 55 N -3.91 3.83 -0.66 -0.52 1.02 -1.26 -4.55 119.74 113.69 1j4t s LYS 55 Ca 0.61 -0.40 -0.04 0.00 0.02 0.00 0.00 55.97 56.17 1j4t s LYS 55 Cb -0.19 -3.31 0.17 0.00 -0.52 0.00 0.00 37.83 33.98 1j4t s LYS 55 CO 0.65 0.03 0.48 -1.01 -0.92 0.00 0.00 175.35 174.58 1j4t s HIS 56 N 1.05 3.44 -0.04 3.18 3.76 -1.03 -5.04 115.29 120.62 1j4t s HIS 56 Ca 0.04 -2.68 0.01 0.00 -0.15 0.00 0.00 55.06 52.29 1j4t s HIS 56 Cb -0.14 -3.25 -0.03 0.00 1.11 0.00 0.00 32.58 30.27 1j4t s HIS 56 CO 0.03 -0.85 -0.04 0.95 -0.85 0.00 0.00 174.74 173.98 1j4t s THR 57 N -0.13 3.88 -0.22 1.30 -4.23 -1.26 0.16 115.64 115.15 1j4t s THR 57 Ca 0.18 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 60.11 1j4t s THR 57 Cb -0.19 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 1j4t s THR 57 CO -0.04 0.51 -0.03 -0.55 -0.54 0.00 0.00 174.62 173.97 1j4t s SER 58 N -1.12 4.45 0.00 3.99 0.15 -1.26 -4.88 113.70 115.03 1j4t s SER 58 Ca 0.15 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1j4t s SER 58 Cb -0.11 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1j4t s SER 58 CO 0.05 -0.01 0.37 0.29 1.20 0.00 0.00 173.24 175.14 1j4t n LYS 59 N 4.72 0.51 -2.30 5.44 4.01 -1.26 -4.63 118.16 124.65 1j4t n LYS 59 Ca -0.18 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.20 1j4t n LYS 59 Cb 0.51 -1.14 -0.02 0.00 -0.51 0.00 0.00 35.03 33.86 1j4t n LYS 59 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1j4t s LEU 60 N -0.44 4.17 -1.13 -0.35 1.02 -1.26 -4.86 118.68 115.82 1j4t s LEU 60 Ca 0.00 1.77 -0.24 0.00 0.02 0.00 0.00 54.13 55.68 1j4t s LEU 60 Cb 0.00 -3.54 -0.13 0.00 0.02 0.00 0.00 46.19 42.54 1j4t s LEU 60 CO 0.00 -0.86 2.01 -2.16 0.02 0.00 0.00 176.35 175.36 1j4t s PRO 61 N 3.77 2.02 0.44 1.29 0.04 -1.26 -4.88 135.00 136.42 1j4t s PRO 61 Ca 0.60 -0.83 0.08 0.00 0.04 0.00 0.00 61.00 60.89 1j4t s PRO 61 Cb -0.24 -5.13 0.01 0.00 0.04 0.00 0.00 34.50 29.17 1j4t s PRO 61 CO 0.20 -4.49 0.53 0.71 0.04 0.00 0.00 177.00 173.99 1j4t s TYR 62 N 13.13 2.60 -0.25 0.56 1.51 -1.26 -5.07 117.35 128.56 1j4t s TYR 62 Ca 0.74 -0.47 -0.29 0.00 -1.01 0.00 0.00 57.07 56.03 1j4t s TYR 62 Cb -0.03 -2.29 0.01 0.00 -0.11 0.00 0.00 41.96 39.55 1j4t s TYR 62 CO 0.14 -0.41 1.04 -1.59 -1.11 0.00 0.00 175.55 173.63 1j4t s LYS 63 N -4.32 4.21 -0.21 -0.62 0.00 -0.12 -4.78 119.74 113.90 1j4t s LYS 63 Ca 0.53 1.27 -0.29 0.00 0.00 0.00 0.00 55.97 57.48 1j4t s LYS 63 Cb -0.07 -3.67 0.00 0.00 0.00 0.00 0.00 37.83 34.09 1j4t s LYS 63 CO 0.32 -0.70 1.15 -0.80 0.00 0.00 0.00 175.35 175.32 1j4t s ASN 64 N 1.33 6.99 0.33 0.03 0.02 -1.26 -1.57 114.94 120.81 1j4t s ASN 64 Ca 0.44 1.47 0.08 0.00 -1.02 0.00 0.00 52.86 53.84 1j4t s ASN 64 Cb -0.14 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.54 1j4t s ASN 64 CO 0.09 -0.75 0.11 0.68 0.02 0.00 0.00 177.10 177.24 1j4t s VAL 65 N 3.44 3.02 -0.15 1.60 -7.23 -1.12 -5.02 120.40 114.94 1j4t s VAL 65 Ca 0.49 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.87 1j4t s VAL 65 Cb -0.18 -2.94 0.07 0.00 0.56 0.00 0.00 36.38 33.89 1j4t s VAL 65 CO 0.11 -0.21 0.20 -0.75 -0.31 0.00 0.00 175.10 174.14 1j4t s LYS 66 N -3.81 0.12 -0.48 4.82 2.20 -1.26 -3.77 119.74 117.56 1j4t s LYS 66 Ca 0.37 0.40 -0.05 0.00 -0.36 0.00 0.00 55.97 56.32 1j4t s LYS 66 Cb -0.03 -0.74 0.12 0.00 -1.51 0.00 0.00 37.83 35.68 1j4t s LYS 66 CO 0.22 -0.47 0.31 0.42 -0.36 0.00 0.00 175.35 175.46 1j4t s ILE 67 N 2.32 3.74 -0.38 5.43 1.01 0.13 -4.96 121.20 128.48 1j4t s ILE 67 Ca 0.04 -2.12 -0.13 0.00 0.00 0.00 0.00 60.65 58.44 1j4t s ILE 67 Cb -0.14 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1j4t s ILE 67 CO -0.09 -0.76 0.24 -1.83 0.00 0.00 0.00 174.94 172.50 1j4t s GLU 68 N 0.99 2.95 0.40 2.79 -1.05 -1.26 0.01 118.70 123.53 1j4t s GLU 68 Ca 0.09 -1.01 -0.23 0.00 -0.15 0.00 0.00 54.97 53.67 1j4t s GLU 68 Cb -0.23 -3.83 -0.10 0.00 -0.44 0.00 0.00 34.13 29.53 1j4t s GLU 68 CO -0.03 -0.69 0.96 -0.51 0.95 0.00 0.00 175.26 175.94 1j4t s LEU 69 N 1.62 4.05 -0.86 1.83 2.01 0.66 -4.94 118.68 123.05 1j4t s LEU 69 Ca 0.04 1.77 -0.07 0.00 0.01 0.00 0.00 54.13 55.88 1j4t s LEU 69 Cb -0.19 -4.38 -0.13 0.00 0.01 0.00 0.00 46.19 41.50 1j4t s LEU 69 CO 0.08 -0.32 2.83 2.29 1.01 0.00 0.00 176.35 182.24 1j4t n LYS 70 N -0.30 2.58 -1.96 1.70 2.85 -1.26 -4.85 118.16 116.91 1j4t n LYS 70 Ca 0.06 -1.52 -0.38 0.00 -1.05 0.00 0.00 58.31 55.41 1j4t n LYS 70 Cb 0.53 -2.39 0.02 0.00 -0.65 0.00 0.00 35.03 32.53 1j4t n LYS 70 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1j4t s PHE 71 N 2.15 2.52 -0.40 5.58 5.36 -1.26 -0.96 117.98 130.97 1j4t s PHE 71 Ca 0.58 1.43 0.10 0.00 -0.96 0.00 0.00 56.93 58.08 1j4t s PHE 71 Cb 0.19 -3.65 0.63 0.00 -0.34 0.00 0.00 43.02 39.85 1j4t s PHE 71 CO -0.03 -2.38 1.52 -0.35 -1.46 0.00 0.00 175.22 172.52 1j4t n PRO 72 N -0.77 3.79 0.02 10.12 -0.04 -1.26 -4.87 135.00 142.00 1j4t n PRO 72 Ca 0.09 -2.46 -0.06 0.00 -0.04 0.00 0.00 63.50 61.02 1j4t n PRO 72 Cb 0.46 -2.08 -0.11 0.00 -0.04 0.00 0.00 33.50 31.72 1j4t n PRO 72 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1j4t h ASP 73 N 2.82 0.00 -4.05 3.54 5.19 -1.76 -3.46 116.42 118.70 1j4t h ASP 73 Ca 0.07 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.79 1j4t h ASP 73 Cb 1.78 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 41.06 1j4t h ASP 73 CO 0.46 0.91 -0.84 -0.70 -3.12 0.00 0.00 179.24 175.95 1j4t s GLU 74 N -2.70 1.90 0.02 3.56 2.12 -0.13 -4.82 118.70 118.64 1j4t s GLU 74 Ca -0.02 -1.08 -0.27 0.00 0.36 0.00 0.00 54.97 53.97 1j4t s GLU 74 Cb 0.09 -2.09 0.06 0.00 0.26 0.00 0.00 34.13 32.45 1j4t s GLU 74 CO 0.82 0.52 0.62 -0.59 -0.54 0.00 0.00 175.26 176.08 1j4t s PHE 75 N -0.92 -0.57 0.40 5.30 -0.12 -1.26 -4.04 117.98 116.78 1j4t s PHE 75 Ca 0.14 0.79 -0.25 0.00 -0.05 0.00 0.00 56.93 57.56 1j4t s PHE 75 Cb -0.10 0.42 -0.11 0.00 -0.63 0.00 0.00 43.02 42.59 1j4t s PHE 75 CO 0.05 -0.66 1.00 1.28 -0.05 0.00 0.00 175.22 176.84 1j4t n LEU 76 N 0.55 2.42 0.00 -1.99 7.99 -1.26 -1.56 117.00 123.15 1j4t n LEU 76 Ca -0.19 1.05 0.00 0.00 -0.01 0.00 0.00 56.01 56.87 1j4t n LEU 76 Cb 0.59 -1.34 0.00 0.00 -0.11 0.00 0.00 43.42 42.56 1j4t n LEU 76 CO 0.20 -1.50 0.30 -1.84 -1.51 0.00 0.00 177.39 173.04 1j4t n GLU 77 N 0.25 0.82 -3.57 3.23 0.28 -0.16 -4.73 120.64 116.76 1j4t n GLU 77 Ca 0.09 -0.78 -0.08 0.00 -0.16 0.00 0.00 57.16 56.23 1j4t n GLU 77 Cb 0.38 -0.80 -0.04 0.00 1.43 0.00 0.00 31.44 32.41 1j4t n GLU 77 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1j4t s SER 78 N -0.36 -0.30 -0.16 -1.84 0.15 -1.21 -0.10 113.70 109.88 1j4t s SER 78 Ca 0.00 0.22 -0.07 0.00 0.70 0.00 0.00 55.95 56.80 1j4t s SER 78 Cb 0.00 0.27 0.07 0.00 -1.71 0.00 0.00 66.02 64.65 1j4t s SER 78 CO 0.00 -0.36 0.35 -0.69 1.20 0.00 0.00 173.24 173.75 1j4t s VAL 79 N -1.75 -0.36 0.43 4.45 1.01 -0.75 -3.11 120.40 120.32 1j4t s VAL 79 Ca 0.02 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1j4t s VAL 79 Cb -0.01 -0.56 -0.06 0.00 0.00 0.00 0.00 36.38 35.76 1j4t s VAL 79 CO -0.03 0.07 0.02 -0.44 0.00 0.00 0.00 175.10 174.73 1j4t s SER 80 N 2.10 3.73 -0.09 3.32 0.01 -0.76 -0.32 113.70 121.70 1j4t s SER 80 Ca -0.04 -1.47 -0.32 0.00 1.31 0.00 0.00 55.95 55.43 1j4t s SER 80 Cb -0.11 -0.04 0.13 0.00 0.21 0.00 0.00 66.02 66.21 1j4t s SER 80 CO -0.11 -0.61 1.40 -0.83 0.41 0.00 0.00 173.24 173.50 1j4t s GLY 81 N -3.73 -0.40 0.01 3.44 0.00 -1.00 -2.59 107.32 103.05 1j4t s GLY 81 Ca 0.26 0.67 0.03 0.00 0.00 0.00 0.00 44.72 45.68 1j4t s GLY 81 CO 0.13 2.39 -0.09 -0.19 0.00 0.00 0.00 173.10 175.33 1j4t s TYR 82 N -2.05 0.83 -0.03 1.90 1.51 -1.11 -2.46 117.35 115.94 1j4t s TYR 82 Ca 0.21 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 1j4t s TYR 82 Cb 0.05 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.39 1j4t s TYR 82 CO -0.05 -0.01 -0.10 -0.08 -1.11 0.00 0.00 175.55 174.19 1j4t s THR 83 N -0.54 0.90 0.02 -0.71 -1.32 0.57 -1.05 115.64 113.51 1j4t s THR 83 Ca 0.01 -0.42 -0.29 0.00 -1.21 0.00 0.00 61.69 59.78 1j4t s THR 83 Cb -0.05 -0.80 0.10 0.00 -1.51 0.00 0.00 72.50 70.24 1j4t s THR 83 CO 0.00 0.28 1.00 -0.83 -2.21 0.00 0.00 174.62 172.86 1j4t s GLY 84 N 0.20 -0.36 0.63 6.08 0.00 -0.81 -0.46 107.32 112.59 1j4t s GLY 84 Ca -0.04 0.76 -0.14 0.00 0.00 0.00 0.00 44.72 45.31 1j4t s GLY 84 CO 0.01 0.23 1.05 -4.14 0.00 0.00 0.00 173.10 170.24 1j4t s PRO 85 N -3.00 3.24 -0.24 2.90 0.02 -1.26 0.69 135.00 137.35 1j4t s PRO 85 Ca 0.09 1.05 -0.03 0.00 0.02 0.00 0.00 61.00 62.13 1j4t s PRO 85 Cb -0.00 -2.03 0.01 0.00 0.02 0.00 0.00 34.50 32.50 1j4t s PRO 85 CO -0.04 -0.86 -0.04 0.12 -0.33 0.00 0.00 177.00 175.84 1j4t s PHE 86 N -2.75 3.02 -0.38 6.54 5.36 -1.15 -4.84 117.98 123.79 1j4t s PHE 86 Ca 0.60 -1.26 0.23 0.00 -0.96 0.00 0.00 56.93 55.54 1j4t s PHE 86 Cb -0.14 -2.09 0.24 0.00 -0.34 0.00 0.00 43.02 40.68 1j4t s PHE 86 CO 0.45 -0.65 1.42 0.77 -1.46 0.00 0.00 175.22 175.75 1j4t h SER 87 N 8.07 0.00 1.58 6.13 0.02 -1.97 -2.70 113.55 124.68 1j4t h SER 87 Ca -0.36 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1j4t h SER 87 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1j4t h SER 87 CO 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.28 1j4t h ALA 88 N 2.02 1.00 -0.29 3.77 0.00 -1.94 -3.29 119.26 120.52 1j4t h ALA 88 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1j4t h ALA 88 Cb 0.99 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.50 1j4t h ALA 88 CO 0.00 0.00 -0.74 -0.11 0.00 0.00 0.00 179.25 178.40 1j4t n LEU 89 N -2.55 0.08 -3.79 0.00 0.00 -1.25 -5.04 117.00 104.46 1j4t n LEU 89 Ca 0.05 -3.22 -0.25 0.00 0.00 0.00 0.00 56.01 52.59 1j4t n LEU 89 Cb 0.45 0.28 0.00 0.00 0.00 0.00 0.00 43.42 44.15 1j4t n LEU 89 CO 0.31 1.43 -0.25 0.00 0.00 0.00 0.00 177.39 178.88 1j4t n ALA 90 N -0.89 -2.80 -3.89 1.96 0.00 -1.03 -4.84 120.51 109.02 1j4t n ALA 90 Ca -0.03 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 1j4t n ALA 90 Cb 0.84 -0.75 -0.16 0.00 0.00 0.00 0.00 19.45 19.38 1j4t n ALA 90 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1j4t s THR 91 N -2.93 1.37 0.46 0.00 -1.32 -1.13 -4.98 115.64 107.10 1j4t s THR 91 Ca 0.02 -1.23 0.15 0.00 -1.21 0.00 0.00 61.69 59.41 1j4t s THR 91 Cb -0.00 -1.74 0.20 0.00 -1.51 0.00 0.00 72.50 69.45 1j4t s THR 91 CO 0.90 -0.22 2.02 1.55 -2.21 0.00 0.00 174.62 176.65 1j4t h PRO 92 N 7.99 0.00 -6.56 7.08 0.13 -1.88 -3.03 132.00 135.72 1j4t h PRO 92 Ca -0.16 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.45 1j4t h PRO 92 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1j4t h PRO 92 CO 0.42 0.16 -0.01 -0.08 -0.23 0.00 0.00 178.00 178.25 1j4t s THR 93 N -4.69 4.80 0.22 1.56 -1.32 -1.26 -4.72 115.64 110.23 1j4t s THR 93 Ca -0.04 0.73 -0.28 0.00 -1.21 0.00 0.00 61.69 60.89 1j4t s THR 93 Cb 0.16 -3.63 -0.16 0.00 -1.51 0.00 0.00 72.50 67.36 1j4t s THR 93 CO 0.69 -0.09 0.71 -0.81 -2.21 0.00 0.00 174.62 172.91 1j4t n PRO 94 N -0.14 0.46 -4.26 7.08 -0.04 -1.26 -4.33 135.00 132.51 1j4t n PRO 94 Ca 0.01 0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.49 1j4t n PRO 94 Cb 0.53 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.58 1j4t n PRO 94 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1j4t s VAL 95 N -0.97 1.13 -0.26 0.52 1.01 0.22 -0.78 120.40 121.27 1j4t s VAL 95 Ca 0.63 -2.05 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 1j4t s VAL 95 Cb -0.86 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 1j4t s VAL 95 CO 0.57 -0.67 0.85 0.54 0.00 0.00 0.00 175.10 176.39 1j4t s VAL 96 N -3.35 4.80 -0.18 2.92 0.11 -0.52 -1.93 120.40 122.24 1j4t s VAL 96 Ca 0.19 1.53 -0.14 0.00 -2.93 0.00 0.00 61.98 60.63 1j4t s VAL 96 Cb 0.03 -4.15 -0.21 0.00 -1.53 0.00 0.00 36.38 30.51 1j4t s VAL 96 CO 0.02 -0.14 0.22 0.54 -3.33 0.00 0.00 175.10 172.40 1j4t n ARG 97 N 6.12 0.65 -4.39 1.54 5.12 -0.22 -1.94 116.66 123.55 1j4t n ARG 97 Ca 0.06 0.40 -0.19 0.00 -1.93 0.00 0.00 57.85 56.19 1j4t n ARG 97 Cb 0.47 -1.70 -0.10 0.00 -1.16 0.00 0.00 32.46 29.97 1j4t n ARG 97 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1j4t s SER 98 N -6.97 1.91 -0.16 0.55 0.15 -1.20 -1.87 113.70 106.11 1j4t s SER 98 Ca -0.27 -1.36 -0.26 0.00 0.70 0.00 0.00 55.95 54.75 1j4t s SER 98 Cb 0.07 0.01 0.07 0.00 -1.71 0.00 0.00 66.02 64.46 1j4t s SER 98 CO 0.66 -0.64 0.67 -0.22 1.20 0.00 0.00 173.24 174.91 1j4t s LEU 99 N -3.41 -0.57 -0.26 3.45 2.96 -1.25 -2.75 118.68 116.86 1j4t s LEU 99 Ca 0.36 1.05 -0.08 0.00 -0.22 0.00 0.00 54.13 55.25 1j4t s LEU 99 Cb 0.08 2.38 0.12 0.00 0.50 0.00 0.00 46.19 49.27 1j4t s LEU 99 CO 0.14 -0.40 0.55 0.28 -1.32 0.00 0.00 176.35 175.60 1j4t s THR 100 N -0.35 -0.85 -0.06 3.68 -1.32 -1.07 -1.09 115.64 114.58 1j4t s THR 100 Ca -0.05 0.06 -0.03 0.00 -1.21 0.00 0.00 61.69 60.46 1j4t s THR 100 Cb -0.03 -0.86 -0.04 0.00 -1.51 0.00 0.00 72.50 70.06 1j4t s THR 100 CO 0.05 0.02 0.10 -0.36 -2.21 0.00 0.00 174.62 172.22 1j4t s PHE 101 N 2.77 3.40 -0.12 9.09 0.40 -1.25 -1.82 117.98 130.46 1j4t s PHE 101 Ca -0.02 0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.68 1j4t s PHE 101 Cb -0.12 -1.83 0.01 0.00 0.51 0.00 0.00 43.02 41.58 1j4t s PHE 101 CO -0.17 0.61 -0.20 0.15 0.70 0.00 0.00 175.22 176.31 1j4t s LYS 102 N -1.32 2.77 0.84 0.44 1.02 -1.18 0.02 119.74 122.33 1j4t s LYS 102 Ca 0.18 -0.77 -0.06 0.00 0.02 0.00 0.00 55.97 55.34 1j4t s LYS 102 Cb -0.12 -2.23 0.18 0.00 -0.52 0.00 0.00 37.83 35.15 1j4t s LYS 102 CO 0.08 0.01 1.15 0.95 -0.92 0.00 0.00 175.35 176.63 1j4t s THR 103 N 0.76 2.00 -0.12 2.17 -4.23 0.95 -0.99 115.64 116.17 1j4t s THR 103 Ca -0.10 -0.39 0.15 0.00 -1.18 0.00 0.00 61.69 60.17 1j4t s THR 103 Cb -0.16 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 1j4t s THR 103 CO 0.01 0.00 1.26 -0.55 -0.54 0.00 0.00 174.62 174.79 1j4t h ASN 104 N -1.05 0.00 0.60 3.99 -0.00 -1.57 -2.88 115.58 114.67 1j4t h ASN 104 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.92 1j4t h ASN 104 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.56 1j4t h ASN 104 CO 0.35 0.57 0.00 0.50 -0.00 0.00 0.00 177.43 178.84 1j4t h LYS 105 N 0.00 0.00 0.00 4.14 1.63 -1.88 -3.46 116.57 117.00 1j4t h LYS 105 Ca -0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1j4t h LYS 105 Cb 1.47 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1j4t h LYS 105 CO 0.07 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.48 1j4t n GLY 106 N -0.32 0.80 3.76 5.01 0.00 -1.09 -5.09 105.19 108.27 1j4t n GLY 106 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1j4t n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4t s ARG 107 N -0.89 4.68 -0.01 1.61 0.52 -1.26 -4.79 118.95 118.80 1j4t s ARG 107 Ca 0.00 1.30 0.05 0.00 -0.52 0.00 0.00 55.73 56.56 1j4t s ARG 107 Cb 0.00 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 1j4t s ARG 107 CO 0.00 0.49 -0.16 -0.08 0.02 0.00 0.00 175.30 175.57 1j4t s THR 108 N -0.94 2.92 -1.05 0.02 -1.32 -1.26 -0.04 115.64 113.97 1j4t s THR 108 Ca 0.39 -0.92 -0.06 0.00 -1.21 0.00 0.00 61.69 59.89 1j4t s THR 108 Cb -0.24 -2.18 0.28 0.00 -1.51 0.00 0.00 72.50 68.85 1j4t s THR 108 CO 0.28 0.49 1.15 0.49 -2.21 0.00 0.00 174.62 174.82 1j4t n PHE 109 N 1.99 4.26 0.00 9.09 3.01 0.10 -4.97 117.46 130.94 1j4t n PHE 109 Ca -0.17 -3.61 0.00 0.00 1.01 0.00 0.00 57.45 54.68 1j4t n PHE 109 Cb 0.52 -1.45 0.00 0.00 -0.01 0.00 0.00 39.48 38.54 1j4t n PHE 109 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j4t n GLY 110 N 2.18 0.00 2.44 1.37 0.00 -1.26 -3.77 105.19 106.15 1j4t n GLY 110 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1j4t n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j4t n PRO 111 N 0.00 0.00 -3.89 1.61 -0.02 -1.26 -4.76 135.00 126.68 1j4t n PRO 111 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1j4t n PRO 111 Cb 0.00 -1.04 -0.12 0.00 -0.02 0.00 0.00 33.50 32.32 1j4t n PRO 111 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1j4t s TYR 112 N -0.02 3.40 -1.20 6.00 2.02 -0.25 -4.92 117.35 122.37 1j4t s TYR 112 Ca 0.63 -3.20 0.00 0.00 -0.37 0.00 0.00 57.07 54.13 1j4t s TYR 112 Cb -0.88 -2.83 0.00 0.00 -0.40 0.00 0.00 41.96 37.85 1j4t s TYR 112 CO 0.40 -0.67 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 1j4t n GLY 113 N 2.63 0.48 3.63 0.71 0.00 -1.26 -3.77 105.19 107.62 1j4t n GLY 113 Ca 0.12 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 1j4t n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4t s ASP 114 N -4.00 6.34 -0.93 1.61 1.01 -0.62 -4.71 116.67 115.36 1j4t s ASP 114 Ca 0.00 0.39 -0.20 0.00 0.71 0.00 0.00 52.55 53.45 1j4t s ASP 114 Cb 0.00 -2.22 -0.11 0.00 1.01 0.00 0.00 42.92 41.60 1j4t s ASP 114 CO 0.00 -0.15 2.01 -0.62 0.21 0.00 0.00 175.17 176.62 1j4t n GLU 115 N 5.00 1.83 -4.05 8.23 1.02 -1.26 -3.90 120.64 127.52 1j4t n GLU 115 Ca -0.08 -2.00 -0.13 0.00 -0.02 0.00 0.00 57.16 54.92 1j4t n GLU 115 Cb 0.51 -2.99 -0.13 0.00 -0.02 0.00 0.00 31.44 28.81 1j4t n GLU 115 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1j4t s GLU 116 N 4.54 0.36 0.00 3.49 -1.05 -1.26 -5.07 118.70 119.71 1j4t s GLU 116 Ca 0.55 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 1j4t s GLU 116 Cb 0.14 -0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.62 1j4t s GLU 116 CO 0.07 0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.73 1j4t n GLY 117 N 2.30 -0.43 3.66 -3.83 0.00 -1.26 -4.10 105.19 101.53 1j4t n GLY 117 Ca -0.18 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.26 1j4t n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j4t s THR 118 N 0.00 4.98 0.81 2.61 -1.32 0.39 -4.74 115.64 118.37 1j4t s THR 118 Ca 0.00 1.30 -0.11 0.00 -1.21 0.00 0.00 61.69 61.67 1j4t s THR 118 Cb 0.00 -4.00 0.08 0.00 -1.51 0.00 0.00 72.50 67.07 1j4t s THR 118 CO 0.00 0.08 1.09 -0.47 -2.21 0.00 0.00 174.62 173.11 1j4t s TYR 119 N 2.05 2.60 -0.02 9.09 5.04 -1.26 -0.32 117.35 134.52 1j4t s TYR 119 Ca 0.31 1.37 -0.17 0.00 -2.44 0.00 0.00 57.07 56.14 1j4t s TYR 119 Cb -0.16 -3.08 0.03 0.00 0.35 0.00 0.00 41.96 39.10 1j4t s TYR 119 CO 0.11 -1.93 0.35 -0.59 -1.34 0.00 0.00 175.55 172.15 1j4t s PHE 120 N -2.97 -0.25 -0.18 4.97 -0.12 -1.03 -4.90 117.98 113.49 1j4t s PHE 120 Ca 0.61 0.40 -0.08 0.00 -0.05 0.00 0.00 56.93 57.82 1j4t s PHE 120 Cb -0.17 0.13 0.08 0.00 -0.63 0.00 0.00 43.02 42.44 1j4t s PHE 120 CO 0.56 -0.41 0.41 1.21 -0.05 0.00 0.00 175.22 176.94 1j4t s ASN 121 N -1.23 -0.33 -0.59 1.98 2.47 -1.26 -2.38 114.94 113.59 1j4t s ASN 121 Ca -0.13 0.94 0.02 0.00 0.42 0.00 0.00 52.86 54.11 1j4t s ASN 121 Cb -0.05 1.10 0.15 0.00 -1.45 0.00 0.00 41.25 41.00 1j4t s ASN 121 CO 0.05 -0.22 0.37 -0.22 -3.72 0.00 0.00 177.10 173.36 1j4t s LEU 122 N 2.13 4.72 -0.17 3.21 2.96 0.57 -4.97 118.68 127.13 1j4t s LEU 122 Ca -0.05 -3.08 -0.29 0.00 -0.22 0.00 0.00 54.13 50.50 1j4t s LEU 122 Cb -0.11 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 1j4t s LEU 122 CO -0.13 -0.26 0.99 -2.84 -1.32 0.00 0.00 176.35 172.80 1j4t s PRO 123 N -0.39 4.33 -0.41 0.98 0.02 -1.26 -1.80 135.00 136.47 1j4t s PRO 123 Ca 0.18 1.32 -0.20 0.00 0.02 0.00 0.00 61.00 62.33 1j4t s PRO 123 Cb -0.21 -3.59 0.02 0.00 0.02 0.00 0.00 34.50 30.73 1j4t s PRO 123 CO -0.03 -0.46 0.58 0.42 -0.33 0.00 0.00 177.00 177.18 1j4t s ILE 124 N 2.56 4.92 -0.30 2.83 1.01 0.86 -4.91 121.20 128.17 1j4t s ILE 124 Ca 0.45 0.12 0.22 0.00 0.00 0.00 0.00 60.65 61.44 1j4t s ILE 124 Cb -0.17 -4.11 0.12 0.00 0.01 0.00 0.00 42.46 38.31 1j4t s ILE 124 CO 0.12 -0.46 1.25 -0.08 0.00 0.00 0.00 174.94 175.77 1j4t h GLU 125 N 8.73 0.00 -0.65 2.79 4.81 -1.95 -3.45 114.58 124.85 1j4t h GLU 125 Ca -0.26 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.13 1j4t h GLU 125 Cb 1.11 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.28 1j4t h GLU 125 CO 0.85 0.04 -0.07 1.21 -0.73 0.00 0.00 179.01 180.31 1j4t s ASN 126 N -5.75 -0.91 0.00 1.04 2.47 -1.26 -5.16 114.94 105.37 1j4t s ASN 126 Ca 0.02 0.54 0.00 0.00 0.42 0.00 0.00 52.86 53.84 1j4t s ASN 126 Cb 0.08 1.75 0.00 0.00 -1.45 0.00 0.00 41.25 41.63 1j4t s ASN 126 CO 0.75 -0.17 0.00 0.61 -3.72 0.00 0.00 177.10 174.57 1j4t n GLY 127 N 5.44 -1.79 2.80 1.21 0.00 -1.26 -5.03 105.19 106.57 1j4t n GLY 127 Ca -0.04 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.31 1j4t n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j4t s LEU 128 N 0.00 0.94 0.32 0.99 1.02 0.52 -4.97 118.68 117.49 1j4t s LEU 128 Ca 0.00 -0.05 -0.29 0.00 0.02 0.00 0.00 54.13 53.81 1j4t s LEU 128 Cb 0.00 -0.31 -0.10 0.00 0.02 0.00 0.00 46.19 45.80 1j4t s LEU 128 CO 0.00 -0.13 1.25 -0.63 0.02 0.00 0.00 176.35 176.86 1j4t s ILE 129 N 1.37 2.92 0.00 -0.59 1.01 -1.26 -2.09 121.20 122.56 1j4t s ILE 129 Ca -0.05 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1j4t s ILE 129 Cb -0.13 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1j4t s ILE 129 CO -0.02 0.22 0.52 0.52 0.00 0.00 0.00 174.94 176.18 1j4t n VAL 130 N 0.93 0.18 0.00 2.92 0.31 -0.82 -4.67 118.33 117.18 1j4t n VAL 130 Ca -0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1j4t n VAL 130 Cb 0.43 1.05 0.00 0.00 -0.91 0.00 0.00 33.84 34.40 1j4t n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j4t n GLY 131 N -0.09 1.50 3.37 2.92 0.00 -1.25 -2.31 105.19 109.33 1j4t n GLY 131 Ca 0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 1j4t n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j4t s PHE 132 N -2.00 1.94 0.16 1.61 0.08 -1.26 -1.24 117.98 117.27 1j4t s PHE 132 Ca 0.00 -0.46 -0.00 0.00 0.12 0.00 0.00 56.93 56.59 1j4t s PHE 132 Cb 0.00 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.49 1j4t s PHE 132 CO 0.00 0.44 0.07 0.21 -0.10 0.00 0.00 175.22 175.84 1j4t s LYS 133 N -3.16 1.06 0.00 0.44 2.20 -1.07 -2.34 119.74 116.87 1j4t s LYS 133 Ca 0.21 -1.53 0.00 0.00 -0.36 0.00 0.00 55.97 54.30 1j4t s LYS 133 Cb -0.04 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1j4t s LYS 133 CO 0.09 -0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1j4t n GLY 134 N -0.19 -0.75 3.01 5.54 0.00 -0.78 -1.41 105.19 110.62 1j4t n GLY 134 Ca -0.03 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1j4t n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4t s ARG 135 N -1.12 0.16 -0.04 1.61 0.52 -1.05 -0.23 118.95 118.81 1j4t s ARG 135 Ca 0.00 0.65 0.04 0.00 -0.52 0.00 0.00 55.73 55.89 1j4t s ARG 135 Cb 0.00 -0.09 -0.00 0.00 0.52 0.00 0.00 34.95 35.38 1j4t s ARG 135 CO 0.00 -0.24 -0.14 0.99 0.02 0.00 0.00 175.30 175.93 1j4t s THR 136 N 1.93 1.21 0.00 0.02 2.01 0.99 -0.09 115.64 121.70 1j4t s THR 136 Ca -0.03 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1j4t s THR 136 Cb -0.11 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.35 1j4t s THR 136 CO -0.08 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 1j4t n GLY 137 N 3.20 0.56 0.00 4.40 0.00 -1.26 0.18 105.19 112.27 1j4t n GLY 137 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1j4t n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4t n ASP 138 N -0.19 1.03 -1.00 1.61 8.00 -1.26 -4.93 116.55 119.81 1j4t n ASP 138 Ca 0.00 -0.46 -0.00 0.00 0.71 0.00 0.00 54.79 55.04 1j4t n ASP 138 Cb 0.00 1.34 -0.00 0.00 -0.02 0.00 0.00 41.12 42.44 1j4t n ASP 138 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1j4t n LEU 139 N -1.69 0.00 -4.50 0.64 4.32 -1.26 -4.53 117.00 109.97 1j4t n LEU 139 Ca 0.00 -0.01 -0.43 0.00 -0.02 0.00 0.00 56.01 55.56 1j4t n LEU 139 Cb 0.32 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.06 1j4t n LEU 139 CO 0.32 -0.00 0.36 -0.22 -1.22 0.00 0.00 177.39 176.63 1j4t s LEU 140 N 0.00 4.59 0.03 2.23 2.96 -0.75 -4.18 118.68 123.57 1j4t s LEU 140 Ca 0.00 -0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 53.34 1j4t s LEU 140 Cb 0.00 -2.66 -0.32 0.00 0.50 0.00 0.00 46.19 43.71 1j4t s LEU 140 CO 0.00 -0.79 0.98 0.44 -1.32 0.00 0.00 176.35 175.66 1j4t h ASP 141 N 8.89 0.66 -5.02 3.68 5.19 -0.83 -1.38 116.42 127.61 1j4t h ASP 141 Ca -0.26 -0.76 -0.13 0.00 -0.62 0.00 0.00 57.03 55.27 1j4t h ASP 141 Cb 1.10 -0.22 -0.19 0.00 0.18 0.00 0.00 39.33 40.20 1j4t h ASP 141 CO 0.90 1.60 -0.46 0.00 -3.12 0.00 0.00 179.24 178.16 1j4t s ALA 142 N -2.61 -0.32 -0.01 3.45 0.00 -1.21 0.39 121.76 121.45 1j4t s ALA 142 Ca -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1j4t s ALA 142 Cb 0.05 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1j4t s ALA 142 CO 0.91 -0.27 -0.04 -1.50 0.00 0.00 0.00 175.76 174.86 1j4t s ILE 143 N -1.88 0.37 0.40 0.00 2.07 0.40 -2.51 121.20 120.04 1j4t s ILE 143 Ca -0.11 -0.17 0.04 0.00 -1.41 0.00 0.00 60.65 59.01 1j4t s ILE 143 Cb -0.05 -0.34 -0.03 0.00 0.13 0.00 0.00 42.46 42.18 1j4t s ILE 143 CO -0.01 0.12 0.14 -0.83 -1.91 0.00 0.00 174.94 172.46 1j4t s GLY 144 N 0.09 2.56 -0.14 1.50 0.00 -0.50 -1.28 107.32 109.54 1j4t s GLY 144 Ca -0.01 -1.33 -0.07 0.00 0.00 0.00 0.00 44.72 43.31 1j4t s GLY 144 CO -0.00 -1.79 0.34 -0.42 0.00 0.00 0.00 173.10 171.23 1j4t s ILE 145 N -3.24 -0.09 0.23 0.90 1.01 -0.92 -2.58 121.20 116.50 1j4t s ILE 145 Ca 0.26 0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.89 1j4t s ILE 145 Cb 0.03 -0.52 -0.08 0.00 0.01 0.00 0.00 42.46 41.90 1j4t s ILE 145 CO 0.16 0.05 0.63 -1.00 0.00 0.00 0.00 174.94 174.78 1j4t s HIS 146 N 1.47 3.51 0.12 3.97 3.76 -0.37 -0.54 115.29 127.21 1j4t s HIS 146 Ca -0.08 1.12 0.01 0.00 -0.15 0.00 0.00 55.06 55.96 1j4t s HIS 146 Cb -0.10 -2.44 -0.04 0.00 1.11 0.00 0.00 32.58 31.12 1j4t s HIS 146 CO -0.11 0.28 -0.03 -1.64 -0.85 0.00 0.00 174.74 172.39 1j4t s MET 147 N -2.44 0.90 0.34 1.40 1.00 0.63 -1.94 119.30 119.18 1j4t s MET 147 Ca 0.45 -1.39 -0.10 0.00 0.00 0.00 0.00 55.69 54.65 1j4t s MET 147 Cb -0.13 -0.14 0.04 0.00 0.00 0.00 0.00 34.83 34.60 1j4t s MET 147 CO 0.20 -0.09 0.62 0.45 0.00 0.00 0.00 175.02 176.20 1j4t n SER 148 N -0.09 -1.80 -0.14 3.03 2.88 -0.89 -3.02 113.62 113.59 1j4t n SER 148 Ca -0.10 -2.46 0.02 0.00 -1.33 0.00 0.00 58.87 55.00 1j4t n SER 148 Cb 0.62 3.06 0.01 0.00 -0.75 0.00 0.00 64.21 67.15 1j4t n SER 148 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70