#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4t n GLN 3 N 0.00 0.79 -3.68 4.33 10.64 -1.26 -5.07 117.38 123.13 1j4t n GLN 3 Ca 0.00 -3.27 -0.14 0.00 -1.83 0.00 0.00 57.00 51.76 1j4t n GLN 3 Cb 0.00 0.57 -0.08 0.00 -0.86 0.00 0.00 30.24 29.86 1j4t n GLN 3 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 1j4t s THR 4 N -2.59 0.01 -0.02 -0.39 -1.32 -1.26 -5.09 115.64 104.99 1j4t s THR 4 Ca 0.17 -0.09 -0.37 0.00 -1.21 0.00 0.00 61.69 60.20 1j4t s THR 4 Cb -0.01 -0.75 -0.15 0.00 -1.51 0.00 0.00 72.50 70.08 1j4t s THR 4 CO 0.11 -0.05 1.58 -0.38 -2.21 0.00 0.00 174.62 173.67 1j4t n ILE 5 N 2.19 0.17 -4.09 5.08 5.41 -1.17 -4.77 119.36 122.18 1j4t n ILE 5 Ca -0.16 -0.03 -0.33 0.00 1.00 0.00 0.00 62.75 63.23 1j4t n ILE 5 Cb 0.56 -1.24 -0.15 0.00 -0.71 0.00 0.00 39.64 38.10 1j4t n ILE 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1j4t s THR 6 N 1.90 2.17 0.26 1.39 2.01 -1.26 -0.27 115.64 121.84 1j4t s THR 6 Ca 0.88 -1.25 0.08 0.00 0.31 0.00 0.00 61.69 61.71 1j4t s THR 6 Cb -0.88 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1j4t s THR 6 CO 0.50 0.27 0.11 -0.69 -0.69 0.00 0.00 174.62 174.13 1j4t s VAL 7 N 1.21 3.92 0.04 3.82 1.01 -0.47 -4.96 120.40 124.98 1j4t s VAL 7 Ca -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1j4t s VAL 7 Cb -0.16 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1j4t s VAL 7 CO -0.09 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.27 1j4t n GLY 8 N -1.06 -1.75 3.50 4.51 0.00 -1.26 -2.10 105.19 107.02 1j4t n GLY 8 Ca -0.07 -1.28 0.01 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.08 -1.20 -0.11 1.61 0.01 -1.26 -4.85 113.70 103.82 1j4t s SER 9 Ca 0.00 1.35 0.01 0.00 1.31 0.00 0.00 55.95 58.62 1j4t s SER 9 Cb 0.00 2.25 -0.02 0.00 0.21 0.00 0.00 66.02 68.46 1j4t s SER 9 CO 0.00 -0.23 -0.14 0.26 0.41 0.00 0.00 173.24 173.54 1j4t s TRP 10 N 2.88 2.76 0.00 2.43 0.51 -0.09 -4.90 118.94 122.52 1j4t s TRP 10 Ca 0.02 -0.59 0.00 0.00 -2.12 0.00 0.00 56.10 53.41 1j4t s TRP 10 Cb -0.13 -1.79 0.00 0.00 -0.81 0.00 0.00 33.47 30.74 1j4t s TRP 10 CO -0.19 -0.16 0.00 0.41 -0.51 0.00 0.00 176.95 176.50 1j4t n GLY 11 N 3.30 0.40 0.00 0.98 0.00 -1.26 -1.38 105.19 107.23 1j4t n GLY 11 Ca -0.18 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 3.99 0.43 -0.02 0.00 -0.45 -4.79 105.19 104.35 1j4t n GLY 12 Ca 0.00 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 1.38 -0.96 1.61 -0.04 -1.26 -4.45 135.00 131.28 1j4t n PRO 13 Ca 0.00 -0.87 -0.15 0.00 -0.04 0.00 0.00 63.50 62.44 1j4t n PRO 13 Cb 0.00 -1.48 0.11 0.00 -0.04 0.00 0.00 33.50 32.09 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 1.27 -1.39 1.01 0.55 0.00 -1.26 -4.98 105.19 100.39 1j4t n GLY 14 Ca 0.15 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 0.43 -2.77 3.80 -0.02 0.00 -1.26 -4.63 105.19 100.74 1j4t n GLY 15 Ca 0.09 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1j4t n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j4t s ASN 16 N -6.45 7.21 0.45 1.61 2.47 -0.09 -4.72 114.94 115.42 1j4t s ASN 16 Ca 0.00 1.67 -0.16 0.00 0.42 0.00 0.00 52.86 54.79 1j4t s ASN 16 Cb 0.00 -2.52 -0.08 0.00 -1.45 0.00 0.00 41.25 37.20 1j4t s ASN 16 CO 0.00 -0.04 0.90 -0.83 -3.72 0.00 0.00 177.10 173.41 1j4t s GLY 17 N -1.66 2.16 0.02 1.21 0.00 -1.26 -1.38 107.32 106.41 1j4t s GLY 17 Ca 0.48 0.14 -0.04 0.00 0.00 0.00 0.00 44.72 45.30 1j4t s GLY 17 CO 0.22 0.39 0.06 0.66 0.00 0.00 0.00 173.10 174.44 1j4t s TRP 18 N -2.38 0.20 -0.17 1.90 -2.14 -0.25 -4.94 118.94 111.16 1j4t s TRP 18 Ca 0.58 -0.46 -0.03 0.00 2.66 0.00 0.00 56.10 58.84 1j4t s TRP 18 Cb -0.10 -0.15 0.06 0.00 -3.10 0.00 0.00 33.47 30.18 1j4t s TRP 18 CO 0.25 -0.29 0.05 0.34 -2.66 0.00 0.00 176.95 174.64 1j4t s ASP 19 N -1.80 2.55 0.41 -2.66 -1.08 -1.26 -2.25 116.67 110.58 1j4t s ASP 19 Ca -0.10 -0.66 0.15 0.00 -0.52 0.00 0.00 52.55 51.42 1j4t s ASP 19 Cb -0.05 -0.45 0.90 0.00 -1.46 0.00 0.00 42.92 41.86 1j4t s ASP 19 CO -0.02 -0.31 1.91 -0.33 0.52 0.00 0.00 175.17 176.94 1j4t h GLU 20 N 8.32 0.00 0.00 4.34 5.08 -1.13 -3.49 114.58 127.70 1j4t h GLU 20 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1j4t h GLU 20 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1j4t h GLU 20 CO 0.31 0.27 0.00 0.41 -1.00 0.00 0.00 179.01 179.00 1j4t n GLY 21 N -0.68 1.75 3.90 -3.84 0.00 -1.26 -4.94 105.19 100.11 1j4t n GLY 21 Ca -0.02 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 1j4t n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j4t s SER 22 N 0.00 6.48 0.26 1.61 0.15 -1.26 -3.89 113.70 117.05 1j4t s SER 22 Ca 0.00 0.55 -0.15 0.00 0.70 0.00 0.00 55.95 57.05 1j4t s SER 22 Cb 0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1j4t s SER 22 CO 0.00 0.11 0.55 -0.31 1.20 0.00 0.00 173.24 174.79 1j4t s TYR 23 N -1.56 0.21 -0.57 3.44 1.51 -0.31 -4.95 117.35 115.12 1j4t s TYR 23 Ca 0.37 -0.60 0.26 0.00 -1.01 0.00 0.00 57.07 56.09 1j4t s TYR 23 Cb -0.13 0.34 0.76 0.00 -0.11 0.00 0.00 41.96 42.82 1j4t s TYR 23 CO 0.23 -1.07 1.74 1.15 -1.11 0.00 0.00 175.55 176.50 1j4t h THR 24 N 2.18 0.00 0.00 -0.71 2.02 -1.70 -3.45 112.91 111.25 1j4t h THR 24 Ca -0.24 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1j4t h THR 24 Cb 1.25 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1j4t h THR 24 CO 0.32 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.82 1j4t n GLY 25 N 0.98 -1.53 2.98 2.16 0.00 -1.18 -4.88 105.19 103.73 1j4t n GLY 25 Ca 0.04 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.65 1.27 -0.25 -0.61 1.01 -1.26 -1.26 121.20 117.45 1j4t s ILE 26 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 1j4t s ILE 26 Cb 0.00 -1.21 -0.11 0.00 0.01 0.00 0.00 42.46 41.15 1j4t s ILE 26 CO 0.00 0.40 -0.31 0.54 0.00 0.00 0.00 174.94 175.57 1j4t n ARG 27 N 4.57 0.57 -4.09 2.79 1.74 -1.11 -4.68 116.66 116.46 1j4t n ARG 27 Ca -0.17 0.28 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 1j4t n ARG 27 Cb 0.51 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.33 1j4t n ARG 27 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1j4t s GLN 28 N -2.57 0.59 -0.03 5.56 0.74 -1.03 -0.02 119.66 122.91 1j4t s GLN 28 Ca -0.36 -0.80 0.02 0.00 0.05 0.00 0.00 55.36 54.27 1j4t s GLN 28 Cb 0.12 -0.41 0.01 0.00 1.10 0.00 0.00 33.01 33.83 1j4t s GLN 28 CO 0.48 0.08 -0.08 0.42 -0.55 0.00 0.00 175.29 175.64 1j4t s ILE 29 N -1.36 0.72 -0.15 -2.34 1.01 -0.36 -2.21 121.20 116.50 1j4t s ILE 29 Ca -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1j4t s ILE 29 Cb -0.10 -0.65 0.02 0.00 0.01 0.00 0.00 42.46 41.74 1j4t s ILE 29 CO 0.01 0.23 -0.17 -1.61 0.00 0.00 0.00 174.94 173.41 1j4t s GLU 30 N 0.31 2.52 0.25 2.79 2.02 -0.77 0.19 118.70 126.02 1j4t s GLU 30 Ca -0.05 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.33 1j4t s GLU 30 Cb -0.09 -2.21 -0.05 0.00 0.10 0.00 0.00 34.13 31.87 1j4t s GLU 30 CO 0.00 -0.18 -0.00 -0.48 0.02 0.00 0.00 175.26 174.63 1j4t s LEU 31 N 1.28 2.24 0.07 1.80 0.05 -1.21 -3.00 118.68 119.91 1j4t s LEU 31 Ca 0.02 -1.24 0.07 0.00 0.05 0.00 0.00 54.13 53.03 1j4t s LEU 31 Cb -0.14 -0.35 -0.03 0.00 -2.05 0.00 0.00 46.19 43.62 1j4t s LEU 31 CO -0.09 -0.50 -0.20 -0.94 -0.55 0.00 0.00 176.35 174.08 1j4t s SER 32 N -3.36 2.35 0.16 1.48 1.04 -1.12 -2.11 113.70 112.14 1j4t s SER 32 Ca 0.30 -0.60 -0.19 0.00 0.48 0.00 0.00 55.95 55.94 1j4t s SER 32 Cb 0.06 -0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.07 1j4t s SER 32 CO 0.10 0.08 0.50 -0.72 0.98 0.00 0.00 173.24 174.19 1j4t s TYR 33 N -1.01 -0.27 0.30 5.02 1.13 -0.65 -1.82 117.35 120.04 1j4t s TYR 33 Ca 0.06 -0.02 0.00 0.00 -1.41 0.00 0.00 57.07 55.69 1j4t s TYR 33 Cb -0.09 0.40 0.00 0.00 -1.10 0.00 0.00 41.96 41.16 1j4t s TYR 33 CO 0.03 -0.82 0.00 1.17 -2.51 0.00 0.00 175.55 173.42 1j4t n LYS 34 N -0.31 0.00 -0.00 -3.49 4.81 -1.26 -0.36 118.16 117.54 1j4t n LYS 34 Ca -0.14 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.32 1j4t n LYS 34 Cb 0.64 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.65 1j4t n LYS 34 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1j4t n GLU 35 N -3.16 0.55 -4.11 1.64 4.71 -1.26 -4.33 120.64 114.68 1j4t n GLU 35 Ca 0.00 -0.04 -0.11 0.00 -0.01 0.00 0.00 57.16 57.00 1j4t n GLU 35 Cb 0.00 -1.12 -0.08 0.00 -1.01 0.00 0.00 31.44 29.23 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 -2.31 0.59 -0.06 0.62 0.00 -1.26 -2.56 121.76 116.78 1j4t s ALA 36 Ca -0.02 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.30 1j4t s ALA 36 Cb 0.03 1.23 -0.02 0.00 0.00 0.00 0.00 23.12 24.36 1j4t s ALA 36 CO 0.20 -0.69 0.94 0.42 0.00 0.00 0.00 175.76 176.64 1j4t s ILE 37 N -4.10 4.86 0.00 0.00 -1.09 -0.57 -4.57 121.20 115.74 1j4t s ILE 37 Ca 0.31 1.94 0.00 0.00 -2.23 0.00 0.00 60.65 60.68 1j4t s ILE 37 Cb 0.04 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1j4t s ILE 37 CO 0.10 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.52 1j4t n GLY 38 N 3.05 0.32 3.77 6.18 0.00 -0.76 -0.14 105.19 117.61 1j4t n GLY 38 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.01 6.56 -0.11 1.61 0.01 -1.25 -3.63 113.70 116.88 1j4t s SER 39 Ca 0.00 2.84 -0.04 0.00 1.31 0.00 0.00 55.95 60.06 1j4t s SER 39 Cb 0.00 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.64 1j4t s SER 39 CO 0.00 -0.72 0.16 0.12 0.41 0.00 0.00 173.24 173.21 1j4t s PHE 40 N -0.79 -0.16 0.05 2.43 2.19 0.18 -2.81 117.98 119.07 1j4t s PHE 40 Ca 0.54 0.48 -0.10 0.00 0.33 0.00 0.00 56.93 58.18 1j4t s PHE 40 Cb -0.43 -0.31 0.01 0.00 -1.31 0.00 0.00 43.02 40.97 1j4t s PHE 40 CO 0.54 -0.34 0.22 -1.12 1.83 0.00 0.00 175.22 176.35 1j4t s SER 41 N 2.29 0.02 0.15 6.13 0.01 -1.16 -1.46 113.70 119.67 1j4t s SER 41 Ca 0.04 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.89 1j4t s SER 41 Cb -0.13 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.38 1j4t s SER 41 CO -0.07 -0.62 0.07 0.54 0.41 0.00 0.00 173.24 173.58 1j4t s VAL 42 N -2.89 0.10 -0.14 3.43 0.11 -1.26 -1.85 120.40 117.90 1j4t s VAL 42 Ca -0.03 -1.94 -0.00 0.00 -2.93 0.00 0.00 61.98 57.09 1j4t s VAL 42 Cb 0.00 -2.17 0.03 0.00 -1.53 0.00 0.00 36.38 32.71 1j4t s VAL 42 CO -0.06 -0.34 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.65 1j4t s ILE 43 N -4.06 1.26 0.57 7.04 1.01 -0.94 -0.45 121.20 125.63 1j4t s ILE 43 Ca 0.28 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.49 1j4t s ILE 43 Cb 0.07 -1.28 0.08 0.00 0.01 0.00 0.00 42.46 41.34 1j4t s ILE 43 CO 0.05 0.33 0.70 -1.22 0.00 0.00 0.00 174.94 174.80 1j4t n TYR 44 N 4.85 -1.89 -3.54 3.97 4.02 0.38 -2.46 117.16 122.49 1j4t n TYR 44 Ca -0.14 -2.14 -0.37 0.00 -0.01 0.00 0.00 57.90 55.24 1j4t n TYR 44 Cb 0.49 -0.52 -0.09 0.00 -0.02 0.00 0.00 39.34 39.20 1j4t n TYR 44 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1j4t s ASP 45 N -4.46 6.21 -0.81 7.72 2.15 -0.39 -0.69 116.67 126.41 1j4t s ASP 45 Ca 0.53 0.23 -0.03 0.00 0.43 0.00 0.00 52.55 53.71 1j4t s ASP 45 Cb -0.04 -2.16 0.20 0.00 -0.30 0.00 0.00 42.92 40.62 1j4t s ASP 45 CO 0.34 -0.02 0.68 -0.22 -0.17 0.00 0.00 175.17 175.77 1j4t s LEU 46 N 1.35 5.58 -0.94 -1.34 2.96 0.06 -2.29 118.68 124.06 1j4t s LEU 46 Ca 0.12 -3.34 -0.05 0.00 -0.22 0.00 0.00 54.13 50.64 1j4t s LEU 46 Cb -0.14 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 1j4t s LEU 46 CO 0.07 -0.28 0.82 0.59 -1.32 0.00 0.00 176.35 176.23 1j4t n ASN 47 N 2.88 -5.58 -3.72 3.68 5.03 -1.26 -3.56 115.26 112.71 1j4t n ASN 47 Ca 0.16 -0.62 -0.22 0.00 0.87 0.00 0.00 54.58 54.78 1j4t n ASN 47 Cb 0.38 -4.65 0.03 0.00 -1.02 0.00 0.00 39.78 34.53 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 -1.24 -0.30 3.41 7.41 0.00 -1.26 -5.00 105.19 108.21 1j4t n GLY 48 Ca -0.09 0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.30 -0.95 -0.07 1.61 1.11 -1.23 -5.13 116.67 107.70 1j4t s ASP 49 Ca 0.04 1.05 -0.38 0.00 0.18 0.00 0.00 52.55 53.44 1j4t s ASP 49 Cb -0.02 1.98 -0.17 0.00 1.07 0.00 0.00 42.92 45.78 1j4t s ASP 49 CO 0.82 -0.18 1.49 -2.65 1.18 0.00 0.00 175.17 175.83 1j4t n PRO 50 N 5.30 1.07 -4.46 8.23 -0.02 -1.26 -0.76 135.00 143.10 1j4t n PRO 50 Ca -0.08 0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 61.48 1j4t n PRO 50 Cb 0.51 -2.04 -0.17 0.00 -0.02 0.00 0.00 33.50 31.79 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 1.71 2.36 -0.46 6.00 5.36 0.14 -4.79 117.98 128.30 1j4t s PHE 51 Ca 0.91 -1.20 -0.24 0.00 -0.96 0.00 0.00 56.93 55.43 1j4t s PHE 51 Cb -1.03 -1.65 0.03 0.00 -0.34 0.00 0.00 43.02 40.03 1j4t s PHE 51 CO 0.55 -0.59 0.85 -1.54 -1.46 0.00 0.00 175.22 173.04 1j4t s SER 52 N 1.01 6.45 0.52 6.13 1.04 -1.26 -0.47 113.70 127.12 1j4t s SER 52 Ca -0.04 -0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.16 1j4t s SER 52 Cb -0.15 -2.42 -0.06 0.00 0.10 0.00 0.00 66.02 63.50 1j4t s SER 52 CO -0.04 -0.98 1.27 -0.83 0.98 0.00 0.00 173.24 173.64 1j4t s GLY 53 N 2.20 2.83 0.20 7.32 0.00 0.41 -4.90 107.32 115.39 1j4t s GLY 53 Ca 0.33 1.16 -0.27 0.00 0.00 0.00 0.00 44.72 45.94 1j4t s GLY 53 CO 0.24 1.64 0.49 -1.05 0.00 0.00 0.00 173.10 174.42 1j4t n PRO 54 N -0.91 0.00 -2.62 2.90 -0.02 -1.26 -4.08 135.00 129.00 1j4t n PRO 54 Ca 0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.15 1j4t n PRO 54 Cb 0.47 -0.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.96 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 -0.96 3.83 -1.09 -0.52 -0.14 -1.26 -4.53 119.74 115.06 1j4t s LYS 55 Ca 0.61 0.71 -0.06 0.00 -1.36 0.00 0.00 55.97 55.88 1j4t s LYS 55 Cb -0.88 -3.85 0.30 0.00 -1.68 0.00 0.00 37.83 31.71 1j4t s LYS 55 CO 0.54 -1.22 1.34 0.72 -0.76 0.00 0.00 175.35 175.96 1j4t n HIS 56 N 7.51 3.46 -2.84 3.18 8.25 -0.53 -4.99 115.22 129.26 1j4t n HIS 56 Ca 0.12 -3.12 -0.40 0.00 -0.26 0.00 0.00 57.72 54.06 1j4t n HIS 56 Cb 0.48 -1.43 -0.05 0.00 1.12 0.00 0.00 29.99 30.11 1j4t n HIS 56 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1j4t s THR 57 N -2.21 4.52 0.18 1.59 -4.23 -1.26 0.50 115.64 114.73 1j4t s THR 57 Ca 0.31 1.88 -0.00 0.00 -1.18 0.00 0.00 61.69 62.70 1j4t s THR 57 Cb -0.01 -4.23 -0.04 0.00 1.34 0.00 0.00 72.50 69.55 1j4t s THR 57 CO 0.03 0.37 0.36 -0.94 -0.54 0.00 0.00 174.62 173.91 1j4t s SER 58 N -0.27 6.38 0.00 3.99 1.04 -1.26 -4.81 113.70 118.78 1j4t s SER 58 Ca 0.42 0.37 0.25 0.00 0.48 0.00 0.00 55.95 57.47 1j4t s SER 58 Cb -0.23 -2.00 0.48 0.00 0.10 0.00 0.00 66.02 64.38 1j4t s SER 58 CO 0.27 -0.00 1.42 0.29 0.98 0.00 0.00 173.24 176.20 1j4t n LYS 59 N -0.51 1.87 -2.31 4.02 5.02 -1.26 -4.69 118.16 120.31 1j4t n LYS 59 Ca -0.05 -1.40 -0.35 0.00 -2.02 0.00 0.00 58.31 54.49 1j4t n LYS 59 Cb 0.53 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 1j4t n LYS 59 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j4t s LEU 60 N -2.10 3.79 -0.61 -0.35 1.43 -1.26 -4.85 118.68 114.74 1j4t s LEU 60 Ca 0.30 2.15 -0.27 0.00 -1.03 0.00 0.00 54.13 55.28 1j4t s LEU 60 Cb 0.20 -4.54 -0.25 0.00 0.03 0.00 0.00 46.19 41.63 1j4t s LEU 60 CO 0.36 -1.12 1.84 -0.81 0.23 0.00 0.00 176.35 176.86 1j4t n PRO 61 N -1.15 0.65 -4.15 1.29 -0.04 -1.26 -4.92 135.00 125.41 1j4t n PRO 61 Ca 0.11 -1.59 -0.30 0.00 -0.04 0.00 0.00 63.50 61.67 1j4t n PRO 61 Cb 0.51 -3.11 -0.08 0.00 -0.04 0.00 0.00 33.50 30.78 1j4t n PRO 61 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4t s TYR 62 N 9.41 2.98 0.26 0.54 1.51 -1.26 -4.89 117.35 125.90 1j4t s TYR 62 Ca 0.69 -0.03 -0.30 0.00 -1.01 0.00 0.00 57.07 56.42 1j4t s TYR 62 Cb 0.08 -1.54 -0.10 0.00 -0.11 0.00 0.00 41.96 40.29 1j4t s TYR 62 CO 0.22 0.47 1.39 -1.59 -1.11 0.00 0.00 175.55 174.94 1j4t s LYS 63 N -2.24 4.30 -0.23 -0.62 0.00 0.51 -4.59 119.74 116.87 1j4t s LYS 63 Ca 0.25 2.25 -0.18 0.00 0.00 0.00 0.00 55.97 58.29 1j4t s LYS 63 Cb -0.12 -3.11 -0.03 0.00 0.00 0.00 0.00 37.83 34.57 1j4t s LYS 63 CO 0.17 -0.35 0.51 -0.80 0.00 0.00 0.00 175.35 174.89 1j4t s ASN 64 N 0.18 6.48 0.24 0.03 -0.87 -1.26 -1.64 114.94 118.11 1j4t s ASN 64 Ca 0.57 0.58 0.11 0.00 -1.57 0.00 0.00 52.86 52.55 1j4t s ASN 64 Cb -0.41 -2.28 -0.05 0.00 -0.02 0.00 0.00 41.25 38.49 1j4t s ASN 64 CO 0.45 -0.24 -0.18 0.54 -2.57 0.00 0.00 177.10 175.10 1j4t s VAL 65 N 2.00 2.61 -0.07 1.60 0.11 -0.90 -5.02 120.40 120.73 1j4t s VAL 65 Ca 0.22 -2.17 0.02 0.00 -2.93 0.00 0.00 61.98 57.12 1j4t s VAL 65 Cb -0.15 -2.33 0.02 0.00 -1.53 0.00 0.00 36.38 32.38 1j4t s VAL 65 CO 0.09 -0.28 -0.11 -0.54 -3.33 0.00 0.00 175.10 170.93 1j4t s LYS 66 N -3.21 1.58 -0.23 1.54 1.02 -1.26 -3.32 119.74 115.86 1j4t s LYS 66 Ca 0.27 -0.36 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 1j4t s LYS 66 Cb -0.06 -1.35 -0.03 0.00 -0.52 0.00 0.00 37.83 35.87 1j4t s LYS 66 CO 0.14 -0.01 0.07 0.42 -0.92 0.00 0.00 175.35 175.05 1j4t s ILE 67 N 0.77 4.45 -0.14 2.17 1.01 0.13 -5.00 121.20 124.60 1j4t s ILE 67 Ca -0.13 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1j4t s ILE 67 Cb -0.15 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.27 1j4t s ILE 67 CO 0.02 0.38 -0.22 -0.70 0.00 0.00 0.00 174.94 174.42 1j4t s GLU 68 N 1.20 3.02 -0.03 2.79 2.12 -1.26 -1.23 118.70 125.31 1j4t s GLU 68 Ca 0.04 -0.85 -0.02 0.00 0.36 0.00 0.00 54.97 54.50 1j4t s GLU 68 Cb -0.14 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 1j4t s GLU 68 CO 0.03 -0.02 0.12 -0.51 -0.54 0.00 0.00 175.26 174.35 1j4t s LEU 69 N 0.82 4.13 -1.53 2.70 1.02 0.98 -4.97 118.68 121.83 1j4t s LEU 69 Ca -0.07 0.27 -0.11 0.00 0.02 0.00 0.00 54.13 54.24 1j4t s LEU 69 Cb -0.15 -2.34 -0.01 0.00 0.02 0.00 0.00 46.19 43.70 1j4t s LEU 69 CO -0.02 0.30 2.59 2.29 0.02 0.00 0.00 176.35 181.52 1j4t n LYS 70 N 1.28 3.40 -2.08 1.70 2.85 -1.26 -4.83 118.16 119.21 1j4t n LYS 70 Ca -0.14 -2.49 -0.40 0.00 -1.05 0.00 0.00 58.31 54.24 1j4t n LYS 70 Cb 0.53 -3.00 -0.01 0.00 -0.65 0.00 0.00 35.03 31.90 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 2.35 2.91 -0.06 5.58 5.36 -1.26 -0.30 117.98 132.55 1j4t s PHE 71 Ca 0.58 1.41 0.23 0.00 -0.96 0.00 0.00 56.93 58.19 1j4t s PHE 71 Cb 0.16 -3.68 0.64 0.00 -0.34 0.00 0.00 43.02 39.80 1j4t s PHE 71 CO -0.07 -2.00 1.70 -1.35 -1.46 0.00 0.00 175.22 172.04 1j4t h PRO 72 N 2.97 0.00 -0.25 10.12 0.11 -1.96 -3.46 132.00 139.53 1j4t h PRO 72 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1j4t h PRO 72 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1j4t h PRO 72 CO 0.64 0.22 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.12 1j4t h ASP 73 N 0.00 0.38 -3.65 -2.05 3.32 -1.83 -3.42 116.42 109.18 1j4t h ASP 73 Ca -0.00 -0.08 -0.66 0.00 0.02 0.00 0.00 57.03 56.31 1j4t h ASP 73 Cb 0.93 -0.10 -0.23 0.00 0.22 0.00 0.00 39.33 40.15 1j4t h ASP 73 CO 0.03 0.51 -0.60 -0.70 -1.72 0.00 0.00 179.24 176.76 1j4t s GLU 74 N -4.81 3.48 0.04 3.56 2.12 0.58 -4.78 118.70 118.89 1j4t s GLU 74 Ca -0.07 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 54.70 1j4t s GLU 74 Cb 0.15 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 1j4t s GLU 74 CO 0.75 -0.30 -0.13 -0.59 -0.54 0.00 0.00 175.26 174.46 1j4t s PHE 75 N 1.60 1.11 0.12 5.30 -0.12 -1.26 -4.23 117.98 120.50 1j4t s PHE 75 Ca 0.05 -0.36 -0.35 0.00 -0.05 0.00 0.00 56.93 56.22 1j4t s PHE 75 Cb -0.16 -0.66 -0.15 0.00 -0.63 0.00 0.00 43.02 41.43 1j4t s PHE 75 CO 0.04 0.02 1.53 1.28 -0.05 0.00 0.00 175.22 178.04 1j4t n LEU 76 N 1.86 2.69 -0.44 -1.99 4.32 -1.26 -0.99 117.00 121.19 1j4t n LEU 76 Ca -0.18 1.09 0.05 0.00 -0.02 0.00 0.00 56.01 56.94 1j4t n LEU 76 Cb 0.55 -1.35 0.12 0.00 -1.62 0.00 0.00 43.42 41.12 1j4t n LEU 76 CO 0.23 -0.49 0.60 -1.84 -1.22 0.00 0.00 177.39 174.66 1j4t n GLU 77 N 3.36 2.78 -3.57 3.23 0.28 -1.12 -4.76 120.64 120.83 1j4t n GLU 77 Ca 0.18 -2.06 -0.07 0.00 -0.16 0.00 0.00 57.16 55.05 1j4t n GLU 77 Cb 0.26 -1.30 -0.02 0.00 1.43 0.00 0.00 31.44 31.81 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 -1.31 -0.31 -0.27 -1.84 0.15 -1.22 -1.54 113.70 107.37 1j4t s SER 78 Ca 0.20 -0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.63 1j4t s SER 78 Cb 0.13 0.40 0.11 0.00 -1.71 0.00 0.00 66.02 64.95 1j4t s SER 78 CO 0.09 -0.67 0.62 -0.69 1.20 0.00 0.00 173.24 173.78 1j4t s VAL 79 N -3.13 -0.62 0.18 4.45 1.01 -1.18 -3.97 120.40 117.15 1j4t s VAL 79 Ca 0.07 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1j4t s VAL 79 Cb -0.01 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1j4t s VAL 79 CO -0.06 0.01 0.04 -0.94 0.00 0.00 0.00 175.10 174.15 1j4t s SER 80 N 2.42 0.94 0.00 3.32 1.04 -1.23 -0.64 113.70 119.55 1j4t s SER 80 Ca -0.07 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1j4t s SER 80 Cb -0.10 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1j4t s SER 80 CO -0.18 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1j4t n GLY 81 N -0.25 -0.58 3.16 7.32 0.00 -0.51 -3.04 105.19 111.29 1j4t n GLY 81 Ca -0.04 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1j4t n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j4t s TYR 82 N -3.10 -0.49 -0.12 1.61 1.51 -1.22 -2.53 117.35 113.01 1j4t s TYR 82 Ca 0.00 1.07 0.00 0.00 -1.01 0.00 0.00 57.07 57.13 1j4t s TYR 82 Cb 0.00 0.16 -0.02 0.00 -0.11 0.00 0.00 41.96 41.99 1j4t s TYR 82 CO 0.00 -0.31 -0.13 -0.08 -1.11 0.00 0.00 175.55 173.92 1j4t s THR 83 N 1.48 3.04 -0.05 -0.71 -1.32 -1.00 0.13 115.64 117.22 1j4t s THR 83 Ca -0.08 -0.67 -0.29 0.00 -1.21 0.00 0.00 61.69 59.44 1j4t s THR 83 Cb -0.10 -2.27 0.10 0.00 -1.51 0.00 0.00 72.50 68.73 1j4t s THR 83 CO -0.11 0.53 0.86 -0.83 -2.21 0.00 0.00 174.62 172.87 1j4t s GLY 84 N 0.29 -0.44 0.72 6.08 0.00 -0.77 -1.53 107.32 111.68 1j4t s GLY 84 Ca -0.10 1.33 -0.13 0.00 0.00 0.00 0.00 44.72 45.82 1j4t s GLY 84 CO 0.06 0.63 1.11 2.56 0.00 0.00 0.00 173.10 177.46 1j4t s PRO 85 N -2.26 2.43 -0.33 2.90 0.05 -1.26 -1.94 135.00 134.60 1j4t s PRO 85 Ca 0.00 1.34 -0.03 0.00 0.05 0.00 0.00 61.00 62.37 1j4t s PRO 85 Cb -0.01 -1.91 0.06 0.00 0.05 0.00 0.00 34.50 32.70 1j4t s PRO 85 CO -0.03 -1.53 0.05 0.12 0.05 0.00 0.00 177.00 175.66 1j4t s PHE 86 N -2.55 3.33 0.29 0.56 5.36 -1.25 -4.84 117.98 118.88 1j4t s PHE 86 Ca 0.65 -1.91 0.31 0.00 -0.96 0.00 0.00 56.93 55.03 1j4t s PHE 86 Cb -0.20 -2.35 1.45 0.00 -0.34 0.00 0.00 43.02 41.58 1j4t s PHE 86 CO 0.48 -0.82 2.03 0.77 -1.46 0.00 0.00 175.22 176.22 1j4t h SER 87 N 8.04 0.00 0.11 6.13 0.02 -1.96 -1.68 113.55 124.21 1j4t h SER 87 Ca -0.20 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.57 1j4t h SER 87 Cb 1.06 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.62 1j4t h SER 87 CO 0.57 0.09 -0.79 0.00 -1.14 0.00 0.00 176.83 175.56 1j4t h ALA 88 N 1.91 -0.05 0.00 3.77 0.00 -1.95 -2.31 119.26 120.63 1j4t h ALA 88 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1j4t h ALA 88 Cb 0.43 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1j4t h ALA 88 CO 0.01 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.93 1j4t n LEU 89 N -4.13 0.00 -3.49 0.00 4.77 -1.13 -4.90 117.00 108.12 1j4t n LEU 89 Ca -0.13 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.64 1j4t n LEU 89 Cb 0.80 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.95 1j4t n LEU 89 CO 0.49 0.00 -0.01 0.00 -1.33 0.00 0.00 177.39 176.54 1j4t n ALA 90 N -0.72 -2.31 -2.81 -1.18 0.00 -0.67 -5.01 120.51 107.81 1j4t n ALA 90 Ca 0.10 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 1j4t n ALA 90 Cb 0.05 -3.93 -0.16 0.00 0.00 0.00 0.00 19.45 15.41 1j4t n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j4t s THR 91 N -3.48 1.73 0.17 0.00 -4.23 -0.98 -4.98 115.64 103.86 1j4t s THR 91 Ca 0.28 -0.88 0.06 0.00 -1.18 0.00 0.00 61.69 59.96 1j4t s THR 91 Cb -0.06 -1.47 -0.15 0.00 1.34 0.00 0.00 72.50 72.16 1j4t s THR 91 CO 0.79 0.49 1.39 1.55 -0.54 0.00 0.00 174.62 178.29 1j4t h PRO 92 N 6.14 0.06 -7.02 3.99 0.13 -1.95 -3.32 132.00 130.04 1j4t h PRO 92 Ca -0.32 -0.08 -0.47 0.00 -0.87 0.00 0.00 66.00 64.26 1j4t h PRO 92 Cb 1.17 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1j4t h PRO 92 CO 0.47 0.90 0.39 0.99 -0.23 0.00 0.00 178.00 180.52 1j4t s THR 93 N -3.08 3.88 0.43 1.56 2.01 -1.26 -4.79 115.64 114.39 1j4t s THR 93 Ca -0.01 1.29 -0.24 0.00 0.31 0.00 0.00 61.69 63.04 1j4t s THR 93 Cb 0.11 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.95 1j4t s THR 93 CO 0.81 -0.14 1.18 -2.84 -0.69 0.00 0.00 174.62 172.94 1j4t s PRO 94 N -2.89 3.90 0.38 4.92 0.02 -1.26 -4.24 135.00 135.83 1j4t s PRO 94 Ca 0.62 1.85 0.04 0.00 0.02 0.00 0.00 61.00 63.53 1j4t s PRO 94 Cb -0.17 -2.56 -0.06 0.00 0.02 0.00 0.00 34.50 31.73 1j4t s PRO 94 CO 0.22 -0.45 0.05 0.54 -0.33 0.00 0.00 177.00 177.03 1j4t s VAL 95 N -1.45 1.34 -0.13 3.83 0.11 -0.82 -2.74 120.40 120.54 1j4t s VAL 95 Ca 0.60 -2.00 -0.20 0.00 -2.93 0.00 0.00 61.98 57.45 1j4t s VAL 95 Cb -0.31 -2.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.78 1j4t s VAL 95 CO 0.38 0.00 0.58 0.54 -3.33 0.00 0.00 175.10 173.27 1j4t s VAL 96 N -3.07 5.10 -0.23 2.04 0.11 -0.65 -1.84 120.40 121.86 1j4t s VAL 96 Ca 0.31 1.14 -0.16 0.00 -2.93 0.00 0.00 61.98 60.34 1j4t s VAL 96 Cb 0.08 -3.91 -0.17 0.00 -1.53 0.00 0.00 36.38 30.85 1j4t s VAL 96 CO 0.15 0.24 -0.03 0.54 -3.33 0.00 0.00 175.10 172.66 1j4t n ARG 97 N 4.14 0.60 -4.28 1.54 5.12 0.35 -1.51 116.66 122.62 1j4t n ARG 97 Ca -0.04 0.39 -0.21 0.00 -1.93 0.00 0.00 57.85 56.06 1j4t n ARG 97 Cb 0.51 -1.63 -0.12 0.00 -1.16 0.00 0.00 32.46 30.06 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 -7.11 2.05 -0.14 0.55 0.15 -1.19 -3.26 113.70 104.76 1j4t s SER 98 Ca -0.33 -0.61 -0.01 0.00 0.70 0.00 0.00 55.95 55.70 1j4t s SER 98 Cb 0.10 -0.10 0.04 0.00 -1.71 0.00 0.00 66.02 64.34 1j4t s SER 98 CO 0.57 0.01 -0.02 -0.22 1.20 0.00 0.00 173.24 174.78 1j4t s LEU 99 N -1.67 1.15 -0.19 3.45 2.96 -1.12 -3.40 118.68 119.86 1j4t s LEU 99 Ca 0.02 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1j4t s LEU 99 Cb -0.10 -0.69 0.03 0.00 0.50 0.00 0.00 46.19 45.94 1j4t s LEU 99 CO 0.03 -0.21 -0.17 0.42 -1.32 0.00 0.00 176.35 175.10 1j4t s THR 100 N 1.80 1.96 -0.69 3.68 -4.23 -1.17 -2.79 115.64 114.20 1j4t s THR 100 Ca 0.02 -1.01 -0.17 0.00 -1.18 0.00 0.00 61.69 59.35 1j4t s THR 100 Cb -0.14 -1.85 0.15 0.00 1.34 0.00 0.00 72.50 71.99 1j4t s THR 100 CO -0.07 0.40 0.73 -0.36 -0.54 0.00 0.00 174.62 174.78 1j4t s PHE 101 N 1.30 3.31 0.45 3.99 0.40 -1.15 -3.51 117.98 122.78 1j4t s PHE 101 Ca 0.02 -1.41 -0.23 0.00 -0.60 0.00 0.00 56.93 54.70 1j4t s PHE 101 Cb -0.14 -3.94 -0.08 0.00 0.51 0.00 0.00 43.02 39.37 1j4t s PHE 101 CO -0.11 -1.16 1.15 0.15 0.70 0.00 0.00 175.22 175.96 1j4t s LYS 102 N 1.64 3.83 0.42 0.44 1.02 -1.25 -2.48 119.74 123.37 1j4t s LYS 102 Ca 0.14 1.75 0.07 0.00 0.02 0.00 0.00 55.97 57.95 1j4t s LYS 102 Cb -0.19 -2.45 -0.06 0.00 -0.52 0.00 0.00 37.83 34.61 1j4t s LYS 102 CO -0.01 -0.48 0.10 -0.08 -0.92 0.00 0.00 175.35 173.95 1j4t s THR 103 N -1.54 2.06 0.19 2.17 -1.32 -0.55 -2.80 115.64 113.85 1j4t s THR 103 Ca 0.62 -1.85 -0.01 0.00 -1.21 0.00 0.00 61.69 59.25 1j4t s THR 103 Cb -0.28 -2.91 -0.09 0.00 -1.51 0.00 0.00 72.50 67.71 1j4t s THR 103 CO 0.34 0.00 1.46 -0.55 -2.21 0.00 0.00 174.62 173.66 1j4t h ASN 104 N 1.55 0.46 0.80 8.08 -0.00 -1.36 -3.30 115.58 121.81 1j4t h ASN 104 Ca -0.43 -0.29 -0.04 0.00 -0.00 0.00 0.00 56.30 55.54 1j4t h ASN 104 Cb 1.25 -0.13 0.01 0.00 -0.00 0.00 0.00 38.32 39.45 1j4t h ASN 104 CO 0.75 1.01 -0.40 0.11 -0.00 0.00 0.00 177.43 178.90 1j4t h LYS 105 N 0.27 -1.06 0.00 4.14 1.79 -1.86 -3.47 116.57 116.38 1j4t h LYS 105 Ca -0.02 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1j4t h LYS 105 Cb 1.25 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 1j4t h LYS 105 CO 0.12 -0.71 0.00 0.41 -1.08 0.00 0.00 179.45 178.19 1j4t n GLY 106 N -1.55 0.00 3.56 3.86 0.00 -1.24 -5.16 105.19 104.65 1j4t n GLY 106 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 -0.21 -0.19 1.61 0.52 -1.26 -4.72 118.95 114.70 1j4t s ARG 107 Ca 0.00 1.16 -0.06 0.00 -0.52 0.00 0.00 55.73 56.31 1j4t s ARG 107 Cb 0.00 -1.61 0.09 0.00 0.52 0.00 0.00 34.95 33.95 1j4t s ARG 107 CO 0.00 -3.35 0.38 0.95 0.02 0.00 0.00 175.30 173.30 1j4t s THR 108 N -2.51 -0.59 -1.20 0.02 -4.23 -1.26 -1.48 115.64 104.39 1j4t s THR 108 Ca 0.68 0.18 -0.18 0.00 -1.18 0.00 0.00 61.69 61.19 1j4t s THR 108 Cb -0.24 -0.63 0.09 0.00 1.34 0.00 0.00 72.50 73.06 1j4t s THR 108 CO 0.62 0.07 1.57 -0.36 -0.54 0.00 0.00 174.62 175.98 1j4t s PHE 109 N 2.56 2.93 0.15 3.99 0.40 -1.03 -4.93 117.98 122.05 1j4t s PHE 109 Ca -0.00 -1.59 -0.04 0.00 -0.60 0.00 0.00 56.93 54.70 1j4t s PHE 109 Cb -0.12 -4.61 -0.03 0.00 0.51 0.00 0.00 43.02 38.77 1j4t s PHE 109 CO -0.12 -1.71 -0.19 0.41 0.70 0.00 0.00 175.22 174.30 1j4t n GLY 110 N 5.37 -0.57 3.52 4.36 0.00 -1.26 -2.92 105.19 113.69 1j4t n GLY 110 Ca 0.41 -0.06 -0.55 0.00 0.00 0.00 0.00 46.02 45.82 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 0.39 0.41 -5.08 1.61 -0.02 -1.26 -4.71 135.00 126.33 1j4t n PRO 111 Ca -0.00 0.15 -0.32 0.00 -2.02 0.00 0.00 63.50 61.30 1j4t n PRO 111 Cb 0.10 -1.62 -0.15 0.00 -0.02 0.00 0.00 33.50 31.81 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 -0.03 2.55 0.06 6.00 2.02 -1.12 -4.94 117.35 121.89 1j4t s TYR 112 Ca 0.84 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 1j4t s TYR 112 Cb -1.11 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 38.84 1j4t s TYR 112 CO 0.54 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.91 1j4t n GLY 113 N 2.64 -1.71 3.73 0.71 0.00 -1.26 -2.77 105.19 106.53 1j4t n GLY 113 Ca -0.17 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 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 -4.04 7.15 -0.40 1.61 1.01 -1.06 -4.69 116.67 116.25 1j4t s ASP 114 Ca 0.00 2.10 -0.06 0.00 0.71 0.00 0.00 52.55 55.31 1j4t s ASP 114 Cb 0.00 -2.60 -0.12 0.00 1.01 0.00 0.00 42.92 41.21 1j4t s ASP 114 CO 0.00 -0.34 3.22 -0.62 0.21 0.00 0.00 175.17 177.63 1j4t n GLU 115 N 2.92 2.47 -4.96 8.23 1.02 -1.26 -3.95 120.64 125.10 1j4t n GLU 115 Ca 0.05 -1.70 -0.31 0.00 -0.02 0.00 0.00 57.16 55.18 1j4t n GLU 115 Cb 0.46 -2.17 -0.17 0.00 -0.02 0.00 0.00 31.44 29.54 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 0.14 2.76 0.00 3.49 -1.05 -1.26 -5.04 118.70 117.74 1j4t s GLU 116 Ca 0.64 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 1j4t s GLU 116 Cb 0.32 -2.15 0.00 0.00 -0.44 0.00 0.00 34.13 31.86 1j4t s GLU 116 CO -0.08 0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.64 1j4t n GLY 117 N 3.72 0.42 3.74 -3.83 0.00 -1.26 -4.53 105.19 103.46 1j4t n GLY 117 Ca -0.20 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.87 4.84 0.49 2.61 -1.32 -0.58 -4.82 115.64 113.98 1j4t s THR 118 Ca 0.00 1.50 -0.20 0.00 -1.21 0.00 0.00 61.69 61.77 1j4t s THR 118 Cb 0.00 -4.05 -0.08 0.00 -1.51 0.00 0.00 72.50 66.85 1j4t s THR 118 CO 0.00 0.36 1.06 -0.47 -2.21 0.00 0.00 174.62 173.35 1j4t s TYR 119 N 0.08 2.96 0.00 9.09 5.04 -1.26 -2.37 117.35 130.89 1j4t s TYR 119 Ca 0.36 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.58 1j4t s TYR 119 Cb -0.19 -3.12 -0.00 0.00 0.35 0.00 0.00 41.96 39.00 1j4t s TYR 119 CO 0.21 -0.95 -0.02 -0.59 -1.34 0.00 0.00 175.55 172.86 1j4t s PHE 120 N -1.91 0.14 -0.20 4.97 -0.12 -1.05 -4.96 117.98 114.86 1j4t s PHE 120 Ca 0.67 -0.05 -0.04 0.00 -0.05 0.00 0.00 56.93 57.46 1j4t s PHE 120 Cb -0.18 -0.09 0.10 0.00 -0.63 0.00 0.00 43.02 42.22 1j4t s PHE 120 CO 0.22 -0.01 0.32 1.21 -0.05 0.00 0.00 175.22 176.91 1j4t s ASN 121 N -0.11 0.47 -0.77 1.98 2.47 -1.26 -1.42 114.94 116.30 1j4t s ASN 121 Ca -0.00 0.32 -0.01 0.00 0.42 0.00 0.00 52.86 53.59 1j4t s ASN 121 Cb -0.01 0.87 0.19 0.00 -1.45 0.00 0.00 41.25 40.85 1j4t s ASN 121 CO -0.00 -0.28 0.61 -0.22 -3.72 0.00 0.00 177.10 173.49 1j4t s LEU 122 N 2.47 5.35 -0.13 3.21 2.96 0.18 -5.00 118.68 127.73 1j4t s LEU 122 Ca 0.06 -3.39 -0.29 0.00 -0.22 0.00 0.00 54.13 50.29 1j4t s LEU 122 Cb -0.14 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1j4t s LEU 122 CO -0.13 -0.25 1.16 -2.16 -1.32 0.00 0.00 176.35 173.66 1j4t s PRO 123 N -0.85 4.31 -0.17 0.98 0.04 -1.26 -3.08 135.00 134.96 1j4t s PRO 123 Ca 0.23 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 1j4t s PRO 123 Cb -0.12 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1j4t s PRO 123 CO -0.09 -0.54 0.35 0.42 0.04 0.00 0.00 177.00 177.18 1j4t s ILE 124 N 2.74 5.25 -0.24 0.56 1.01 -0.59 -4.94 121.20 125.00 1j4t s ILE 124 Ca 0.52 0.65 0.03 0.00 0.00 0.00 0.00 60.65 61.86 1j4t s ILE 124 Cb -0.21 -3.69 -0.17 0.00 0.01 0.00 0.00 42.46 38.40 1j4t s ILE 124 CO 0.16 0.33 -0.18 1.21 0.00 0.00 0.00 174.94 176.46 1j4t n GLU 125 N 3.96 0.64 -3.68 2.79 2.13 -1.26 -4.78 120.64 120.44 1j4t n GLU 125 Ca -0.10 0.12 -0.19 0.00 0.66 0.00 0.00 57.16 57.66 1j4t n GLU 125 Cb 0.52 -1.48 -0.17 0.00 0.27 0.00 0.00 31.44 30.57 1j4t n GLU 125 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1j4t s ASN 126 N -6.23 0.95 0.00 4.31 2.47 -1.26 -5.11 114.94 110.08 1j4t s ASN 126 Ca -0.30 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.11 1j4t s ASN 126 Cb 0.08 -0.05 0.00 0.00 -1.45 0.00 0.00 41.25 39.84 1j4t s ASN 126 CO 0.58 -0.24 0.00 0.61 -3.72 0.00 0.00 177.10 174.33 1j4t n GLY 127 N 5.19 3.26 3.35 1.21 0.00 -1.26 -5.01 105.19 111.93 1j4t n GLY 127 Ca -0.06 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 43.88 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 2.50 0.64 0.99 1.02 0.14 -4.96 118.68 119.01 1j4t s LEU 128 Ca 0.00 -1.08 -0.06 0.00 0.02 0.00 0.00 54.13 53.01 1j4t s LEU 128 Cb 0.00 -0.58 0.03 0.00 0.02 0.00 0.00 46.19 45.66 1j4t s LEU 128 CO 0.00 -0.27 0.95 -0.63 0.02 0.00 0.00 176.35 176.42 1j4t s ILE 129 N -3.08 3.10 0.00 -0.59 1.01 -1.26 -1.76 121.20 118.62 1j4t s ILE 129 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1j4t s ILE 129 Cb 0.01 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1j4t s ILE 129 CO 0.07 -0.28 0.00 0.55 0.00 0.00 0.00 174.94 175.28 1j4t n VAL 130 N -2.72 0.00 -3.59 2.92 3.14 -0.93 -4.60 118.33 112.54 1j4t n VAL 130 Ca 0.06 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.39 1j4t n VAL 130 Cb 0.59 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.35 1j4t n VAL 130 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1j4t s GLY 131 N 0.00 -0.29 0.11 7.55 0.00 -1.24 -1.16 107.32 112.29 1j4t s GLY 131 Ca 0.00 1.60 0.10 0.00 0.00 0.00 0.00 44.72 46.43 1j4t s GLY 131 CO 0.00 0.54 -0.25 -1.36 0.00 0.00 0.00 173.10 172.03 1j4t s PHE 132 N -2.41 2.37 0.27 1.90 0.08 -1.25 -1.21 117.98 117.73 1j4t s PHE 132 Ca 0.09 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.83 1j4t s PHE 132 Cb -0.01 -1.29 -0.06 0.00 -0.57 0.00 0.00 43.02 41.09 1j4t s PHE 132 CO -0.05 0.32 -0.01 0.21 -0.10 0.00 0.00 175.22 175.60 1j4t s LYS 133 N -1.97 1.49 0.00 0.44 2.20 0.22 -0.44 119.74 121.68 1j4t s LYS 133 Ca 0.15 -1.77 0.00 0.00 -0.36 0.00 0.00 55.97 53.98 1j4t s LYS 133 Cb -0.10 -0.86 0.00 0.00 -1.51 0.00 0.00 37.83 35.36 1j4t s LYS 133 CO 0.06 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 1j4t n GLY 134 N -0.54 -1.44 2.79 5.54 0.00 -0.95 -0.52 105.19 110.06 1j4t n GLY 134 Ca -0.04 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 1j4t n GLY 134 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j4t s ARG 135 N -1.13 0.14 0.14 1.61 3.52 -1.02 -1.09 118.95 121.12 1j4t s ARG 135 Ca 0.00 0.33 0.09 0.00 -0.13 0.00 0.00 55.73 56.03 1j4t s ARG 135 Cb 0.00 -0.89 -0.04 0.00 -1.56 0.00 0.00 34.95 32.46 1j4t s ARG 135 CO 0.00 -0.53 -0.22 0.95 -0.81 0.00 0.00 175.30 174.69 1j4t s THR 136 N 2.32 1.96 0.00 4.11 -4.23 -0.48 0.05 115.64 119.37 1j4t s THR 136 Ca 0.05 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1j4t s THR 136 Cb -0.14 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1j4t s THR 136 CO -0.10 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1j4t n GLY 137 N 0.70 0.92 0.12 3.99 0.00 -1.26 -0.91 105.19 108.75 1j4t n GLY 137 Ca -0.16 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 1j4t n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j4t h ASP 138 N 0.00 0.35 -0.54 1.61 5.19 -1.96 -3.46 116.42 117.61 1j4t h ASP 138 Ca 0.00 -0.69 0.00 0.00 -0.62 0.00 0.00 57.03 55.72 1j4t h ASP 138 Cb 0.00 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.39 1j4t h ASP 138 CO 0.00 1.61 0.00 -0.11 -3.12 0.00 0.00 179.24 177.62 1j4t n LEU 139 N -3.40 0.00 -4.46 1.55 7.94 -1.26 -4.20 117.00 113.16 1j4t n LEU 139 Ca -0.25 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.21 1j4t n LEU 139 Cb 1.05 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.91 1j4t n LEU 139 CO 0.46 0.00 0.03 -0.22 -1.11 0.00 0.00 177.39 176.55 1j4t s LEU 140 N 0.00 5.09 0.08 -1.96 2.96 0.81 -4.51 118.68 121.14 1j4t s LEU 140 Ca 0.00 -0.88 -0.14 0.00 -0.22 0.00 0.00 54.13 52.89 1j4t s LEU 140 Cb 0.00 -2.26 -0.21 0.00 0.50 0.00 0.00 46.19 44.22 1j4t s LEU 140 CO 0.00 -0.55 1.22 0.44 -1.32 0.00 0.00 176.35 176.14 1j4t h ASP 141 N 8.70 0.93 -5.01 3.68 5.19 -0.70 -1.72 116.42 127.49 1j4t h ASP 141 Ca -0.27 -0.71 -0.08 0.00 -0.62 0.00 0.00 57.03 55.35 1j4t h ASP 141 Cb 1.11 -0.28 -0.18 0.00 0.18 0.00 0.00 39.33 40.16 1j4t h ASP 141 CO 0.79 1.51 -0.03 0.00 -3.12 0.00 0.00 179.24 178.39 1j4t s ALA 142 N -3.43 -1.25 0.22 3.45 0.00 -1.06 -1.34 121.76 118.35 1j4t s ALA 142 Ca -0.10 0.68 0.11 0.00 0.00 0.00 0.00 51.96 52.65 1j4t s ALA 142 Cb 0.07 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 1j4t s ALA 142 CO 0.92 -0.39 -0.22 0.42 0.00 0.00 0.00 175.76 176.49 1j4t s ILE 143 N -1.79 2.30 0.06 0.00 1.01 -0.48 -2.43 121.20 119.88 1j4t s ILE 143 Ca -0.09 -2.16 -0.03 0.00 0.00 0.00 0.00 60.65 58.37 1j4t s ILE 143 Cb -0.02 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1j4t s ILE 143 CO 0.03 -0.26 0.04 -0.83 0.00 0.00 0.00 174.94 173.92 1j4t s GLY 144 N -2.98 0.34 -0.04 6.18 0.00 0.32 -0.92 107.32 110.22 1j4t s GLY 144 Ca 0.23 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 44.01 1j4t s GLY 144 CO 0.11 -1.11 -0.16 -1.50 0.00 0.00 0.00 173.10 170.43 1j4t s ILE 145 N -3.71 1.38 -0.01 0.90 1.10 -0.89 -0.61 121.20 119.35 1j4t s ILE 145 Ca 0.05 -0.68 -0.17 0.00 -0.51 0.00 0.00 60.65 59.33 1j4t s ILE 145 Cb 0.06 -1.19 -0.06 0.00 0.15 0.00 0.00 42.46 41.43 1j4t s ILE 145 CO -0.09 0.40 0.47 -1.00 -2.11 0.00 0.00 174.94 172.60 1j4t s HIS 146 N 0.07 3.69 0.15 3.50 3.76 -0.35 -1.36 115.29 124.76 1j4t s HIS 146 Ca -0.04 1.04 0.09 0.00 -0.15 0.00 0.00 55.06 56.00 1j4t s HIS 146 Cb -0.11 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.12 1j4t s HIS 146 CO 0.02 0.51 -0.19 -1.64 -0.85 0.00 0.00 174.74 172.58 1j4t s MET 147 N -0.65 1.27 0.32 1.40 -1.94 0.63 -2.19 119.30 118.14 1j4t s MET 147 Ca 0.26 -1.36 -0.10 0.00 -1.71 0.00 0.00 55.69 52.77 1j4t s MET 147 Cb -0.17 -1.40 0.01 0.00 2.01 0.00 0.00 34.83 35.28 1j4t s MET 147 CO 0.14 0.30 0.56 -1.12 -0.01 0.00 0.00 175.02 174.89 1j4t s SER 148 N -2.49 0.32 0.00 3.03 0.01 -0.72 -3.07 113.70 110.78 1j4t s SER 148 Ca 0.14 -1.18 0.12 0.00 1.31 0.00 0.00 55.95 56.34 1j4t s SER 148 Cb -0.07 0.69 0.09 0.00 0.21 0.00 0.00 66.02 66.94 1j4t s SER 148 CO 0.06 -1.34 0.87 0.18 0.41 0.00 0.00 173.24 173.43