#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 1.98 0.10 4.33 -2.07 -1.26 -5.14 119.66 117.59 1j4t s GLN 3 Ca 0.00 -2.13 -0.10 0.00 -1.82 0.00 0.00 55.36 51.31 1j4t s GLN 3 Cb 0.00 -1.63 0.00 0.00 -1.09 0.00 0.00 33.01 30.30 1j4t s GLN 3 CO 0.00 -0.08 0.22 -0.08 -1.32 0.00 0.00 175.29 174.04 1j4t s THR 4 N -2.73 0.13 -0.06 3.63 -1.32 -1.26 -5.10 115.64 108.93 1j4t s THR 4 Ca 0.33 -1.09 -0.30 0.00 -1.21 0.00 0.00 61.69 59.42 1j4t s THR 4 Cb 0.09 -1.32 -0.03 0.00 -1.51 0.00 0.00 72.50 69.73 1j4t s THR 4 CO 0.17 -0.59 1.20 -0.63 -2.21 0.00 0.00 174.62 172.55 1j4t s ILE 5 N -3.85 4.26 -0.12 5.08 1.01 -1.22 -4.92 121.20 121.43 1j4t s ILE 5 Ca 0.05 1.58 0.01 0.00 0.00 0.00 0.00 60.65 62.29 1j4t s ILE 5 Cb 0.04 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 1j4t s ILE 5 CO -0.11 -0.01 -0.17 -0.89 0.00 0.00 0.00 174.94 173.77 1j4t s THR 6 N 2.25 2.69 -0.05 2.92 2.01 -1.26 -0.81 115.64 123.39 1j4t s THR 6 Ca 0.56 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1j4t s THR 6 Cb -0.25 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.17 1j4t s THR 6 CO 0.22 0.53 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.84 1j4t s VAL 7 N 0.40 1.26 0.00 3.82 1.01 0.17 -4.95 120.40 122.12 1j4t s VAL 7 Ca -0.13 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1j4t s VAL 7 Cb -0.17 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1j4t s VAL 7 CO 0.06 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1j4t n GLY 8 N 3.31 -1.79 0.00 4.51 0.00 -1.26 -0.27 105.19 109.69 1j4t n GLY 8 Ca -0.19 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1j4t n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j4t n SER 9 N 0.10 0.00 -4.72 1.61 2.88 -1.21 -4.91 113.62 107.36 1j4t n SER 9 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1j4t n SER 9 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1j4t n SER 9 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1j4t s TRP 10 N 0.00 3.40 -3.01 0.66 0.51 0.65 -4.81 118.94 116.34 1j4t s TRP 10 Ca 0.00 0.35 0.00 0.00 -2.12 0.00 0.00 56.10 54.33 1j4t s TRP 10 Cb 0.00 -2.21 0.00 0.00 -0.81 0.00 0.00 33.47 30.45 1j4t s TRP 10 CO 0.00 0.24 0.00 0.41 -0.51 0.00 0.00 176.95 177.09 1j4t n GLY 11 N 3.64 0.72 1.96 0.98 0.00 -1.26 -1.51 105.19 109.72 1j4t n GLY 11 Ca -0.15 -2.06 -0.11 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 0.00 1.41 1.62 -0.02 0.00 0.49 -4.88 105.19 103.81 1j4t n GLY 12 Ca 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.77 3.28 -2.47 1.61 -0.04 -1.26 -4.42 135.00 129.93 1j4t n PRO 13 Ca 0.08 -3.06 -0.27 0.00 -0.04 0.00 0.00 63.50 60.22 1j4t n PRO 13 Cb 0.30 -2.08 0.02 0.00 -0.04 0.00 0.00 33.50 31.71 1j4t n PRO 13 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1j4t s GLY 14 N -1.47 1.58 0.00 0.55 0.00 -1.26 -4.94 107.32 101.77 1j4t s GLY 14 Ca 0.51 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1j4t s GLY 14 CO 0.10 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.42 1j4t n GLY 15 N -2.48 -0.86 3.75 0.20 0.00 -1.26 -4.52 105.19 100.02 1j4t n GLY 15 Ca 0.03 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.06 6.50 0.54 1.61 0.02 0.02 -4.72 114.94 115.84 1j4t s ASN 16 Ca 0.00 0.59 -0.21 0.00 -1.02 0.00 0.00 52.86 52.22 1j4t s ASN 16 Cb 0.00 -2.19 -0.06 0.00 0.02 0.00 0.00 41.25 39.01 1j4t s ASN 16 CO 0.00 0.13 1.09 0.61 0.02 0.00 0.00 177.10 178.95 1j4t n GLY 17 N 3.12 0.02 3.15 0.66 0.00 -1.26 -2.36 105.19 108.53 1j4t n GLY 17 Ca -0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1j4t n GLY 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1j4t s TRP 18 N -1.39 0.21 -0.19 1.61 -2.14 0.82 -4.91 118.94 112.95 1j4t s TRP 18 Ca 0.71 -0.59 -0.10 0.00 2.66 0.00 0.00 56.10 58.78 1j4t s TRP 18 Cb -0.45 -0.14 0.07 0.00 -3.10 0.00 0.00 33.47 29.85 1j4t s TRP 18 CO 0.51 -0.44 0.46 0.34 -2.66 0.00 0.00 176.95 175.15 1j4t s ASP 19 N -2.53 -0.54 0.00 -2.66 -1.08 -1.26 -1.59 116.67 107.02 1j4t s ASP 19 Ca 0.01 1.02 0.23 0.00 -0.52 0.00 0.00 52.55 53.29 1j4t s ASP 19 Cb 0.03 1.02 0.51 0.00 -1.46 0.00 0.00 42.92 43.02 1j4t s ASP 19 CO -0.08 -0.21 1.44 -0.62 0.52 0.00 0.00 175.17 176.22 1j4t n GLU 20 N 4.55 2.21 0.00 4.34 1.02 0.51 -4.98 120.64 128.29 1j4t n GLU 20 Ca -0.19 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 1j4t n GLU 20 Cb 0.54 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1j4t n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j4t n GLY 21 N 1.35 -0.28 3.11 0.62 0.00 -1.26 -4.88 105.19 103.86 1j4t n GLY 21 Ca 0.17 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.00 0.94 0.00 1.61 0.01 -1.26 -4.12 113.70 106.87 1j4t s SER 22 Ca 0.00 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1j4t s SER 22 Cb 0.00 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1j4t s SER 22 CO 0.00 -0.36 0.00 -1.22 0.41 0.00 0.00 173.24 172.07 1j4t n TYR 23 N 0.64 0.00 0.88 2.43 4.02 -0.38 -4.98 117.16 119.76 1j4t n TYR 23 Ca -0.17 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.84 1j4t n TYR 23 Cb 0.58 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 40.02 1j4t n TYR 23 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1j4t n THR 24 N 0.00 0.08 0.00 -0.72 -2.24 -0.83 -4.89 114.28 105.68 1j4t n THR 24 Ca 0.00 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1j4t n THR 24 Cb 0.00 1.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1j4t n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j4t n GLY 25 N 1.37 1.04 3.27 3.38 0.00 -1.22 -4.91 105.19 108.12 1j4t n GLY 25 Ca 0.15 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 2.57 -0.25 -0.61 1.09 -1.26 -0.22 121.20 120.52 1j4t s ILE 26 Ca 0.00 -0.82 -0.06 0.00 -1.10 0.00 0.00 60.65 58.68 1j4t s ILE 26 Cb 0.00 -2.06 -0.13 0.00 -1.06 0.00 0.00 42.46 39.21 1j4t s ILE 26 CO 0.00 0.53 -0.27 0.54 -0.10 0.00 0.00 174.94 175.64 1j4t n ARG 27 N 3.79 0.57 -3.78 2.79 1.74 -1.00 -4.84 116.66 115.93 1j4t n ARG 27 Ca -0.19 0.19 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1j4t n ARG 27 Cb 0.52 -1.44 -0.11 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.47 0.41 -0.03 5.56 0.74 -1.11 -0.77 119.66 122.00 1j4t s GLN 28 Ca -0.34 0.18 0.07 0.00 0.05 0.00 0.00 55.36 55.33 1j4t s GLN 28 Cb 0.11 0.19 -0.02 0.00 1.10 0.00 0.00 33.01 34.39 1j4t s GLN 28 CO 0.50 -0.08 -0.24 0.42 -0.55 0.00 0.00 175.29 175.34 1j4t s ILE 29 N -0.32 2.17 0.05 -2.34 1.01 -0.21 -0.82 121.20 120.74 1j4t s ILE 29 Ca -0.04 -1.06 0.08 0.00 0.00 0.00 0.00 60.65 59.63 1j4t s ILE 29 Cb -0.03 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1j4t s ILE 29 CO 0.01 0.58 -0.24 -0.70 0.00 0.00 0.00 174.94 174.60 1j4t s GLU 30 N -0.56 1.58 0.04 2.79 2.12 0.15 -0.61 118.70 124.22 1j4t s GLU 30 Ca 0.08 -1.04 -0.27 0.00 0.36 0.00 0.00 54.97 54.10 1j4t s GLU 30 Cb -0.11 -1.75 0.08 0.00 0.26 0.00 0.00 34.13 32.62 1j4t s GLU 30 CO -0.00 0.45 0.71 -0.48 -0.54 0.00 0.00 175.26 175.40 1j4t s LEU 31 N -1.26 -0.54 -0.04 2.70 0.05 -1.03 -2.28 118.68 116.28 1j4t s LEU 31 Ca 0.10 0.24 0.06 0.00 0.05 0.00 0.00 54.13 54.57 1j4t s LEU 31 Cb -0.09 2.41 -0.01 0.00 -2.05 0.00 0.00 46.19 46.45 1j4t s LEU 31 CO 0.02 -0.75 -0.22 -0.94 -0.55 0.00 0.00 176.35 173.91 1j4t s SER 32 N -2.12 2.65 0.29 1.48 1.04 -1.15 -0.35 113.70 115.55 1j4t s SER 32 Ca -0.02 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1j4t s SER 32 Cb -0.01 -0.60 -0.05 0.00 0.10 0.00 0.00 66.02 65.46 1j4t s SER 32 CO -0.05 0.23 0.10 -0.72 0.98 0.00 0.00 173.24 173.78 1j4t s TYR 33 N -0.21 1.68 0.00 5.02 1.13 -0.87 -0.48 117.35 123.61 1j4t s TYR 33 Ca 0.00 -1.15 0.00 0.00 -1.41 0.00 0.00 57.07 54.51 1j4t s TYR 33 Cb -0.11 -1.02 0.00 0.00 -1.10 0.00 0.00 41.96 39.73 1j4t s TYR 33 CO 0.02 -0.26 0.00 1.17 -2.51 0.00 0.00 175.55 173.96 1j4t n LYS 34 N -0.57 0.00 0.00 -3.49 3.00 -1.26 -2.05 118.16 113.79 1j4t n LYS 34 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.38 1j4t n LYS 34 Cb 0.66 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.61 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 -1.71 1.60 -4.08 1.64 4.71 -1.26 -4.00 120.64 117.53 1j4t n GLU 35 Ca 0.00 -0.07 -0.13 0.00 -0.01 0.00 0.00 57.16 56.95 1j4t n GLU 35 Cb 0.00 -1.28 -0.05 0.00 -1.01 0.00 0.00 31.44 29.10 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 -2.50 0.53 0.09 0.62 0.00 -1.26 -2.88 121.76 116.36 1j4t s ALA 36 Ca 0.07 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 50.56 1j4t s ALA 36 Cb 0.12 1.17 -0.06 0.00 0.00 0.00 0.00 23.12 24.35 1j4t s ALA 36 CO 0.65 -0.78 0.45 0.42 0.00 0.00 0.00 175.76 176.51 1j4t s ILE 37 N -3.54 5.00 0.00 0.00 -1.09 -0.69 -4.36 121.20 116.53 1j4t s ILE 37 Ca 0.29 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 1j4t s ILE 37 Cb 0.01 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1j4t s ILE 37 CO 0.15 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 1j4t n GLY 38 N 0.96 0.31 3.78 6.18 0.00 0.37 -2.47 105.19 114.32 1j4t n GLY 38 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 0.53 7.35 -0.29 1.61 0.01 -1.26 -3.10 113.70 118.56 1j4t s SER 39 Ca 0.00 1.75 -0.03 0.00 1.31 0.00 0.00 55.95 58.98 1j4t s SER 39 Cb 0.00 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.78 1j4t s SER 39 CO 0.00 0.03 0.12 0.12 0.41 0.00 0.00 173.24 173.92 1j4t s PHE 40 N -1.45 0.70 0.04 2.43 5.36 -0.31 -2.92 117.98 121.84 1j4t s PHE 40 Ca 0.45 -1.08 0.06 0.00 -0.96 0.00 0.00 56.93 55.40 1j4t s PHE 40 Cb -0.20 -1.11 -0.02 0.00 -0.34 0.00 0.00 43.02 41.35 1j4t s PHE 40 CO 0.25 -0.82 -0.16 -1.54 -1.46 0.00 0.00 175.22 171.49 1j4t s SER 41 N 1.97 1.93 0.05 6.13 1.04 -0.97 -4.04 113.70 119.81 1j4t s SER 41 Ca 0.08 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.05 1j4t s SER 41 Cb -0.16 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 1j4t s SER 41 CO -0.31 0.07 -0.07 0.54 0.98 0.00 0.00 173.24 174.44 1j4t s VAL 42 N -0.85 0.52 -0.47 5.02 0.11 -1.26 -0.67 120.40 122.79 1j4t s VAL 42 Ca 0.03 -1.15 -0.20 0.00 -2.93 0.00 0.00 61.98 57.74 1j4t s VAL 42 Cb -0.08 -0.68 0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1j4t s VAL 42 CO 0.02 -0.44 0.64 -0.63 -3.33 0.00 0.00 175.10 171.36 1j4t s ILE 43 N -1.59 4.84 0.62 7.04 1.01 0.00 -2.81 121.20 130.31 1j4t s ILE 43 Ca -0.08 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1j4t s ILE 43 Cb -0.09 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 38.13 1j4t s ILE 43 CO -0.00 -0.71 0.98 -0.31 0.00 0.00 0.00 174.94 174.90 1j4t s TYR 44 N 2.76 3.37 -0.29 3.97 2.02 0.10 -2.37 117.35 126.92 1j4t s TYR 44 Ca 0.19 0.90 -0.08 0.00 -0.37 0.00 0.00 57.07 57.71 1j4t s TYR 44 Cb -0.16 -2.80 -0.01 0.00 -0.40 0.00 0.00 41.96 38.59 1j4t s TYR 44 CO 0.16 -0.86 0.12 0.34 -1.57 0.00 0.00 175.55 173.73 1j4t s ASP 45 N -4.28 5.35 -0.45 2.29 -1.08 0.69 -1.25 116.67 117.94 1j4t s ASP 45 Ca 0.55 -0.51 -0.07 0.00 -0.52 0.00 0.00 52.55 52.00 1j4t s ASP 45 Cb -0.11 -1.95 0.12 0.00 -1.46 0.00 0.00 42.92 39.52 1j4t s ASP 45 CO 0.49 -0.16 0.29 -0.22 0.52 0.00 0.00 175.17 176.09 1j4t s LEU 46 N 1.58 5.53 -1.29 -1.34 2.96 0.16 -1.97 118.68 124.32 1j4t s LEU 46 Ca 0.04 -1.96 -0.00 0.00 -0.22 0.00 0.00 54.13 51.99 1j4t s LEU 46 Cb -0.17 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.58 1j4t s LEU 46 CO 0.05 -0.64 0.72 0.59 -1.32 0.00 0.00 176.35 175.75 1j4t n ASN 47 N 4.79 -1.36 0.00 3.68 4.13 -1.26 -2.28 115.26 122.95 1j4t n ASN 47 Ca -0.06 -0.81 0.00 0.00 1.68 0.00 0.00 54.58 55.40 1j4t n ASN 47 Cb 0.41 -4.14 0.00 0.00 -1.54 0.00 0.00 39.78 34.51 1j4t n ASN 47 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j4t n GLY 48 N -1.54 2.55 3.38 7.41 0.00 -1.26 -5.02 105.19 110.72 1j4t n GLY 48 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.02 3.54 0.31 1.61 1.01 -0.97 -5.07 116.67 115.09 1j4t s ASP 49 Ca 0.00 -0.35 -0.28 0.00 0.71 0.00 0.00 52.55 52.63 1j4t s ASP 49 Cb 0.00 -0.72 -0.13 0.00 1.01 0.00 0.00 42.92 43.08 1j4t s ASP 49 CO 0.00 0.31 1.19 -2.65 0.21 0.00 0.00 175.17 174.23 1j4t n PRO 50 N 2.53 1.82 -3.73 8.23 -0.02 -1.26 0.40 135.00 142.96 1j4t n PRO 50 Ca -0.17 0.64 -0.19 0.00 -2.02 0.00 0.00 63.50 61.76 1j4t n PRO 50 Cb 0.52 -2.14 -0.17 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.02 0.14 -0.33 6.00 5.36 -0.38 -4.68 117.98 123.06 1j4t s PHE 51 Ca 0.57 0.16 -0.22 0.00 -0.96 0.00 0.00 56.93 56.49 1j4t s PHE 51 Cb -0.63 -0.44 0.00 0.00 -0.34 0.00 0.00 43.02 41.61 1j4t s PHE 51 CO 0.61 -0.17 0.71 -1.12 -1.46 0.00 0.00 175.22 173.78 1j4t s SER 52 N 1.76 6.53 1.04 6.13 0.01 -1.26 0.01 113.70 127.92 1j4t s SER 52 Ca -0.00 0.38 -0.08 0.00 1.31 0.00 0.00 55.95 57.57 1j4t s SER 52 Cb -0.12 -2.36 0.11 0.00 0.21 0.00 0.00 66.02 63.85 1j4t s SER 52 CO -0.03 -0.61 0.53 0.61 0.41 0.00 0.00 173.24 174.15 1j4t n GLY 53 N 4.47 -1.77 3.69 3.44 0.00 -1.12 -4.96 105.19 108.93 1j4t n GLY 53 Ca 0.01 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1j4t n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j4t n PRO 54 N -2.48 1.81 -3.03 1.61 -0.02 -1.26 -4.82 135.00 126.81 1j4t n PRO 54 Ca 0.07 0.65 -0.38 0.00 -2.02 0.00 0.00 63.50 61.81 1j4t n PRO 54 Cb 0.25 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 1j4t n PRO 54 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1j4t s LYS 55 N -2.21 4.44 -0.51 -0.52 2.47 -1.26 -4.53 119.74 117.61 1j4t s LYS 55 Ca 0.62 1.04 0.04 0.00 -1.56 0.00 0.00 55.97 56.12 1j4t s LYS 55 Cb -0.51 -3.11 0.17 0.00 -1.46 0.00 0.00 37.83 32.91 1j4t s LYS 55 CO 0.57 0.50 0.38 -1.01 0.16 0.00 0.00 175.35 175.96 1j4t s HIS 56 N -1.29 2.01 -0.07 4.03 3.76 -1.26 -5.02 115.29 117.46 1j4t s HIS 56 Ca 0.38 -2.66 -0.04 0.00 -0.15 0.00 0.00 55.06 52.59 1j4t s HIS 56 Cb -0.21 -1.62 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 1j4t s HIS 56 CO 0.24 -0.73 0.11 0.95 -0.85 0.00 0.00 174.74 174.46 1j4t s THR 57 N -0.41 5.13 0.24 1.30 -4.23 -1.26 -1.16 115.64 115.26 1j4t s THR 57 Ca 0.28 -0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.59 1j4t s THR 57 Cb -0.02 -3.28 -0.08 0.00 1.34 0.00 0.00 72.50 70.46 1j4t s THR 57 CO -0.16 0.51 0.65 -0.55 -0.54 0.00 0.00 174.62 174.52 1j4t s SER 58 N -1.32 6.79 0.12 3.99 0.15 -1.26 -4.86 113.70 117.31 1j4t s SER 58 Ca 0.19 1.16 0.24 0.00 0.70 0.00 0.00 55.95 58.24 1j4t s SER 58 Cb -0.12 -2.32 0.29 0.00 -1.71 0.00 0.00 66.02 62.15 1j4t s SER 58 CO 0.09 -0.07 1.27 0.50 1.20 0.00 0.00 173.24 176.23 1j4t h LYS 59 N 2.80 0.00 -6.60 5.44 3.64 -1.89 -3.44 116.57 116.52 1j4t h LYS 59 Ca -0.48 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.32 1j4t h LYS 59 Cb 1.18 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.09 1j4t h LYS 59 CO 0.66 0.00 0.53 1.28 -2.27 0.00 0.00 179.45 179.66 1j4t n LEU 60 N -2.13 3.02 -3.07 5.20 4.32 -1.26 -4.76 117.00 118.31 1j4t n LEU 60 Ca 0.03 1.16 -0.22 0.00 -0.02 0.00 0.00 56.01 56.96 1j4t n LEU 60 Cb 0.45 -1.42 -0.03 0.00 -1.62 0.00 0.00 43.42 40.80 1j4t n LEU 60 CO 0.37 -0.61 2.34 -0.81 -1.22 0.00 0.00 177.39 177.46 1j4t n PRO 61 N 1.56 2.16 -3.74 3.23 -0.04 -1.26 -4.90 135.00 132.02 1j4t n PRO 61 Ca 0.10 -1.44 -0.30 0.00 -0.04 0.00 0.00 63.50 61.82 1j4t n PRO 61 Cb 0.32 -2.41 -0.04 0.00 -0.04 0.00 0.00 33.50 31.33 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 3.08 3.49 0.13 0.54 1.51 -1.26 -5.06 117.35 119.77 1j4t s TYR 62 Ca 0.43 0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 56.60 1j4t s TYR 62 Cb 0.12 -1.90 -0.07 0.00 -0.11 0.00 0.00 41.96 40.00 1j4t s TYR 62 CO -0.03 0.45 1.26 -1.59 -1.11 0.00 0.00 175.55 174.53 1j4t s LYS 63 N -2.85 4.42 -0.10 -0.62 0.00 -0.87 -4.69 119.74 115.02 1j4t s LYS 63 Ca 0.39 1.91 -0.16 0.00 0.00 0.00 0.00 55.97 58.11 1j4t s LYS 63 Cb -0.12 -3.27 -0.05 0.00 0.00 0.00 0.00 37.83 34.39 1j4t s LYS 63 CO 0.27 -0.25 0.39 -0.80 0.00 0.00 0.00 175.35 174.96 1j4t s ASN 64 N 0.71 6.63 -0.08 0.03 -0.87 -1.26 -2.05 114.94 118.05 1j4t s ASN 64 Ca 0.58 0.74 0.01 0.00 -1.57 0.00 0.00 52.86 52.63 1j4t s ASN 64 Cb -0.33 -2.24 0.02 0.00 -0.02 0.00 0.00 41.25 38.68 1j4t s ASN 64 CO 0.33 0.12 -0.10 0.68 -2.57 0.00 0.00 177.10 175.55 1j4t s VAL 65 N 0.15 1.06 -0.35 1.60 -7.23 0.53 -4.99 120.40 111.17 1j4t s VAL 65 Ca 0.22 -0.40 -0.14 0.00 -1.81 0.00 0.00 61.98 59.85 1j4t s VAL 65 Cb -0.15 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 1j4t s VAL 65 CO 0.09 0.35 0.31 -0.54 -0.31 0.00 0.00 175.10 174.99 1j4t s LYS 66 N 1.00 3.46 -0.38 4.82 3.01 -1.26 -2.45 119.74 127.94 1j4t s LYS 66 Ca -0.08 -0.58 -0.24 0.00 -1.01 0.00 0.00 55.97 54.05 1j4t s LYS 66 Cb -0.15 -3.83 0.01 0.00 -1.01 0.00 0.00 37.83 32.86 1j4t s LYS 66 CO -0.00 -0.52 0.84 0.42 0.51 0.00 0.00 175.35 176.60 1j4t s ILE 67 N 1.87 4.65 -0.42 2.17 1.09 0.22 -4.95 121.20 125.83 1j4t s ILE 67 Ca 0.09 0.92 -0.09 0.00 -1.10 0.00 0.00 60.65 60.47 1j4t s ILE 67 Cb -0.17 -4.28 0.08 0.00 -1.06 0.00 0.00 42.46 37.02 1j4t s ILE 67 CO 0.11 -0.54 0.26 -0.70 -0.10 0.00 0.00 174.94 173.97 1j4t s GLU 68 N 3.31 2.60 0.13 2.79 2.56 -1.26 -1.05 118.70 127.77 1j4t s GLU 68 Ca 0.34 -1.46 -0.22 0.00 0.00 0.00 0.00 54.97 53.63 1j4t s GLU 68 Cb -0.12 -3.78 -0.07 0.00 2.00 0.00 0.00 34.13 32.15 1j4t s GLU 68 CO 0.19 -0.96 0.67 -0.51 -0.56 0.00 0.00 175.26 174.10 1j4t s LEU 69 N 1.42 4.53 -0.99 2.70 2.01 0.05 -4.99 118.68 123.41 1j4t s LEU 69 Ca 0.03 1.43 -0.23 0.00 0.01 0.00 0.00 54.13 55.37 1j4t s LEU 69 Cb -0.23 -3.15 0.03 0.00 0.01 0.00 0.00 46.19 42.85 1j4t s LEU 69 CO 0.02 0.22 1.56 -1.59 1.01 0.00 0.00 176.35 177.57 1j4t s LYS 70 N -1.25 3.35 0.30 1.70 -2.85 -1.26 -4.75 119.74 114.97 1j4t s LYS 70 Ca 0.34 -0.92 -0.22 0.00 -1.00 0.00 0.00 55.97 54.16 1j4t s LYS 70 Cb -0.21 -5.28 -0.09 0.00 -2.06 0.00 0.00 37.83 30.19 1j4t s LYS 70 CO 0.22 -2.48 0.85 0.12 0.10 0.00 0.00 175.35 174.16 1j4t s PHE 71 N 6.15 3.60 -2.52 1.78 2.19 -1.26 0.70 117.98 128.62 1j4t s PHE 71 Ca 0.51 1.57 0.26 0.00 0.33 0.00 0.00 56.93 59.61 1j4t s PHE 71 Cb -0.02 -2.77 0.66 0.00 -1.31 0.00 0.00 43.02 39.58 1j4t s PHE 71 CO -0.08 0.21 1.52 -2.30 1.83 0.00 0.00 175.22 176.40 1j4t n PRO 72 N 0.39 1.73 0.05 10.12 -0.02 -1.26 -4.84 135.00 141.17 1j4t n PRO 72 Ca 0.01 -1.21 -0.06 0.00 -2.02 0.00 0.00 63.50 60.23 1j4t n PRO 72 Cb 0.51 -1.48 0.13 0.00 -0.02 0.00 0.00 33.50 32.65 1j4t n PRO 72 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1j4t h ASP 73 N 2.94 0.40 -3.44 2.55 3.32 -1.94 -3.42 116.42 116.82 1j4t h ASP 73 Ca 0.00 -0.20 -0.66 0.00 0.02 0.00 0.00 57.03 56.19 1j4t h ASP 73 Cb 0.68 -0.11 -0.20 0.00 0.22 0.00 0.00 39.33 39.91 1j4t h ASP 73 CO 0.00 0.84 -0.68 -0.70 -1.72 0.00 0.00 179.24 176.98 1j4t s GLU 74 N -4.01 3.24 0.22 3.56 2.12 0.22 -4.89 118.70 119.16 1j4t s GLU 74 Ca -0.05 -0.53 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 1j4t s GLU 74 Cb 0.12 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 1j4t s GLU 74 CO 0.80 0.44 0.20 -0.59 -0.54 0.00 0.00 175.26 175.58 1j4t s PHE 75 N -0.19 1.08 -0.17 5.30 -0.12 -1.26 -4.43 117.98 118.18 1j4t s PHE 75 Ca 0.03 -1.30 -0.29 0.00 -0.05 0.00 0.00 56.93 55.32 1j4t s PHE 75 Cb -0.13 -0.45 0.00 0.00 -0.63 0.00 0.00 43.02 41.81 1j4t s PHE 75 CO 0.03 -0.72 1.03 -0.51 -0.05 0.00 0.00 175.22 174.99 1j4t s LEU 76 N -3.16 4.16 0.00 -1.99 1.02 -1.26 -1.78 118.68 115.67 1j4t s LEU 76 Ca 0.36 1.45 0.13 0.00 0.02 0.00 0.00 54.13 56.10 1j4t s LEU 76 Cb 0.05 -3.55 0.28 0.00 0.02 0.00 0.00 46.19 42.99 1j4t s LEU 76 CO 0.13 -0.58 1.17 -1.84 0.02 0.00 0.00 176.35 175.25 1j4t n GLU 77 N 5.76 2.13 -3.63 1.70 0.28 -0.92 -4.77 120.64 121.19 1j4t n GLU 77 Ca 0.11 -1.86 -0.04 0.00 -0.16 0.00 0.00 57.16 55.21 1j4t n GLU 77 Cb 0.47 -1.30 -0.05 0.00 1.43 0.00 0.00 31.44 31.99 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 -1.04 -0.14 -0.01 -1.84 0.15 -1.23 -0.94 113.70 108.66 1j4t s SER 78 Ca 0.24 0.20 -0.02 0.00 0.70 0.00 0.00 55.95 57.07 1j4t s SER 78 Cb 0.13 0.18 -0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1j4t s SER 78 CO 0.18 -0.09 0.03 -0.69 1.20 0.00 0.00 173.24 173.88 1j4t s VAL 79 N -0.57 0.03 0.27 4.45 1.01 -1.12 -1.85 120.40 122.61 1j4t s VAL 79 Ca 0.06 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 1j4t s VAL 79 Cb -0.03 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 36.23 1j4t s VAL 79 CO -0.09 -0.14 0.67 -0.94 0.00 0.00 0.00 175.10 174.60 1j4t s SER 80 N -0.40 -0.23 0.00 3.32 1.04 -1.02 -1.16 113.70 115.24 1j4t s SER 80 Ca -0.05 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1j4t s SER 80 Cb -0.03 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1j4t s SER 80 CO -0.00 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.53 1j4t n GLY 81 N -0.44 -1.22 3.10 7.32 0.00 -0.76 -2.12 105.19 111.08 1j4t n GLY 81 Ca -0.04 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.00 1.89 -0.14 1.61 1.51 -1.19 -0.50 117.35 117.52 1j4t s TYR 82 Ca 0.00 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.35 1j4t s TYR 82 Cb 0.00 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.54 1j4t s TYR 82 CO 0.00 -0.32 -0.18 0.99 -1.11 0.00 0.00 175.55 174.93 1j4t s THR 83 N 0.50 2.44 -0.10 -0.71 2.01 -0.76 0.62 115.64 119.65 1j4t s THR 83 Ca -0.16 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 60.69 1j4t s THR 83 Cb -0.16 -2.00 0.11 0.00 0.01 0.00 0.00 72.50 70.46 1j4t s THR 83 CO 0.06 0.53 0.93 -0.83 -0.69 0.00 0.00 174.62 174.61 1j4t s GLY 84 N 0.75 -0.37 1.00 4.40 0.00 0.13 -0.88 107.32 112.36 1j4t s GLY 84 Ca -0.07 1.60 -0.11 0.00 0.00 0.00 0.00 44.72 46.14 1j4t s GLY 84 CO 0.00 0.78 1.09 -1.05 0.00 0.00 0.00 173.10 173.92 1j4t n PRO 85 N 0.40 -1.10 -4.77 2.90 -0.01 -1.26 -1.57 135.00 129.60 1j4t n PRO 85 Ca -0.11 -0.27 -0.29 0.00 -0.01 0.00 0.00 63.50 62.83 1j4t n PRO 85 Cb 0.59 -2.30 -0.14 0.00 -0.01 0.00 0.00 33.50 31.64 1j4t n PRO 85 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 175.50 175.61 1j4t s PHE 86 N -2.56 2.16 0.00 6.00 2.19 -1.07 -4.83 117.98 119.87 1j4t s PHE 86 Ca 0.67 -0.40 0.00 0.00 0.33 0.00 0.00 56.93 57.53 1j4t s PHE 86 Cb -0.24 -1.28 0.00 0.00 -1.31 0.00 0.00 43.02 40.20 1j4t s PHE 86 CO 0.60 0.14 0.00 0.43 1.83 0.00 0.00 175.22 178.22 1j4t n SER 87 N 1.70 1.66 0.09 6.13 7.64 -1.26 -2.89 113.62 126.68 1j4t n SER 87 Ca -0.17 -0.21 -0.07 0.00 1.01 0.00 0.00 58.87 59.42 1j4t n SER 87 Cb 0.52 0.76 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 1j4t n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j4t h ALA 88 N 0.00 0.56 -0.40 -0.43 0.00 -1.96 -3.17 119.26 113.87 1j4t h ALA 88 Ca 0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 54.91 53.95 1j4t h ALA 88 Cb 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 17.56 1j4t h ALA 88 CO 0.00 0.96 -0.10 1.47 0.00 0.00 0.00 179.25 181.57 1j4t n LEU 89 N -3.62 4.31 -4.12 0.00 -0.00 -1.26 -5.01 117.00 107.29 1j4t n LEU 89 Ca -0.02 -3.88 -0.37 0.00 -0.00 0.00 0.00 56.01 51.73 1j4t n LEU 89 Cb 0.80 -0.63 -0.03 0.00 -0.00 0.00 0.00 43.42 43.56 1j4t n LEU 89 CO 0.47 1.34 -0.28 0.00 -0.00 0.00 0.00 177.39 178.91 1j4t n ALA 90 N -1.10 -2.24 -4.05 1.47 0.00 -1.20 -4.95 120.51 108.44 1j4t n ALA 90 Ca 0.35 -0.48 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 1j4t n ALA 90 Cb 1.02 -1.63 -0.16 0.00 0.00 0.00 0.00 19.45 18.68 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 -3.93 1.83 -1.79 0.00 -1.32 -1.14 -4.96 115.64 104.32 1j4t s THR 91 Ca 0.26 -0.97 0.31 0.00 -1.21 0.00 0.00 61.69 60.08 1j4t s THR 91 Cb -0.14 -1.77 0.77 0.00 -1.51 0.00 0.00 72.50 69.84 1j4t s THR 91 CO 0.91 0.34 2.16 -0.81 -2.21 0.00 0.00 174.62 175.02 1j4t n PRO 92 N 4.65 0.79 -3.45 7.08 -0.04 -1.26 -2.61 135.00 140.17 1j4t n PRO 92 Ca -0.17 -0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 62.90 1j4t n PRO 92 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 1j4t n PRO 92 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1j4t s THR 93 N -2.21 5.00 -0.02 0.52 2.01 -1.26 -4.73 115.64 114.96 1j4t s THR 93 Ca 0.41 0.91 -0.37 0.00 0.31 0.00 0.00 61.69 62.94 1j4t s THR 93 Cb 0.21 -3.75 -0.16 0.00 0.01 0.00 0.00 72.50 68.81 1j4t s THR 93 CO 0.40 0.55 1.49 -2.65 -0.69 0.00 0.00 174.62 173.72 1j4t n PRO 94 N 2.01 1.25 -4.32 4.92 -0.02 -1.26 -4.22 135.00 133.35 1j4t n PRO 94 Ca -0.13 0.45 -0.17 0.00 -2.02 0.00 0.00 63.50 61.63 1j4t n PRO 94 Cb 0.52 -2.12 -0.10 0.00 -0.02 0.00 0.00 33.50 31.78 1j4t n PRO 94 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1j4t s VAL 95 N 1.47 1.42 -0.43 -1.45 0.11 -0.61 -0.38 120.40 120.54 1j4t s VAL 95 Ca 0.88 -2.12 -0.24 0.00 -2.93 0.00 0.00 61.98 57.57 1j4t s VAL 95 Cb -0.96 -2.09 0.02 0.00 -1.53 0.00 0.00 36.38 31.82 1j4t s VAL 95 CO 0.52 -0.56 0.82 0.54 -3.33 0.00 0.00 175.10 173.09 1j4t s VAL 96 N -3.17 4.62 -0.07 2.04 0.11 -0.92 -0.69 120.40 122.33 1j4t s VAL 96 Ca 0.23 0.61 -0.24 0.00 -2.93 0.00 0.00 61.98 59.64 1j4t s VAL 96 Cb 0.02 -4.33 -0.28 0.00 -1.53 0.00 0.00 36.38 30.26 1j4t s VAL 96 CO 0.06 -0.69 0.90 0.03 -3.33 0.00 0.00 175.10 172.07 1j4t h ARG 97 N 8.90 0.21 -6.00 1.54 2.47 -0.10 -1.82 114.38 119.58 1j4t h ARG 97 Ca -0.25 -0.32 -0.53 0.00 -1.26 0.00 0.00 59.98 57.62 1j4t h ARG 97 Cb 1.08 0.11 -0.18 0.00 -1.65 0.00 0.00 29.97 29.34 1j4t h ARG 97 CO 0.97 1.12 -0.79 0.45 0.56 0.00 0.00 179.97 182.28 1j4t s SER 98 N -6.65 2.74 -0.04 7.04 0.15 -1.11 -2.56 113.70 113.26 1j4t s SER 98 Ca -0.15 -0.85 -0.02 0.00 0.70 0.00 0.00 55.95 55.63 1j4t s SER 98 Cb 0.00 -0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1j4t s SER 98 CO 0.78 -0.02 0.04 -0.76 1.20 0.00 0.00 173.24 174.48 1j4t s LEU 99 N -2.62 0.38 -0.08 3.45 1.43 -0.22 -3.20 118.68 117.82 1j4t s LEU 99 Ca 0.16 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1j4t s LEU 99 Cb -0.06 -0.20 0.01 0.00 0.03 0.00 0.00 46.19 45.97 1j4t s LEU 99 CO 0.07 -0.22 -0.15 0.28 0.23 0.00 0.00 176.35 176.56 1j4t s THR 100 N 1.96 1.38 -0.10 5.49 -1.32 -0.90 -1.53 115.64 120.63 1j4t s THR 100 Ca 0.03 -0.61 0.02 0.00 -1.21 0.00 0.00 61.69 59.91 1j4t s THR 100 Cb -0.12 -1.24 -0.02 0.00 -1.51 0.00 0.00 72.50 69.61 1j4t s THR 100 CO -0.03 0.41 -0.15 -0.36 -2.21 0.00 0.00 174.62 172.28 1j4t s PHE 101 N 0.65 2.74 0.10 9.09 0.08 -1.18 -2.44 117.98 127.02 1j4t s PHE 101 Ca -0.14 -0.49 0.07 0.00 0.12 0.00 0.00 56.93 56.48 1j4t s PHE 101 Cb -0.16 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1j4t s PHE 101 CO 0.04 -0.08 -0.09 0.15 -0.10 0.00 0.00 175.22 175.14 1j4t s LYS 102 N -0.06 2.20 0.23 0.44 3.01 -0.77 -0.41 119.74 124.38 1j4t s LYS 102 Ca -0.03 -0.98 0.11 0.00 -1.01 0.00 0.00 55.97 54.06 1j4t s LYS 102 Cb -0.14 -2.35 -0.05 0.00 -1.01 0.00 0.00 37.83 34.29 1j4t s LYS 102 CO 0.04 0.52 -0.21 0.95 0.51 0.00 0.00 175.35 177.16 1j4t s THR 103 N -1.22 2.50 0.45 2.17 -4.23 -0.72 -2.16 115.64 112.44 1j4t s THR 103 Ca 0.22 -2.16 0.17 0.00 -1.18 0.00 0.00 61.69 58.74 1j4t s THR 103 Cb -0.11 -2.25 0.36 0.00 1.34 0.00 0.00 72.50 71.83 1j4t s THR 103 CO 0.14 -0.24 1.96 -0.55 -0.54 0.00 0.00 174.62 175.38 1j4t h ASN 104 N 2.75 0.29 0.03 3.99 -1.07 -1.67 -2.29 115.58 117.61 1j4t h ASN 104 Ca -0.44 0.01 0.00 0.00 0.07 0.00 0.00 56.30 55.95 1j4t h ASN 104 Cb 1.23 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 1j4t h ASN 104 CO 0.54 0.16 0.00 0.29 0.07 0.00 0.00 177.43 178.49 1j4t n LYS 105 N -4.45 0.39 -0.70 4.14 4.01 -1.26 -4.87 118.16 115.42 1j4t n LYS 105 Ca 0.12 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.94 1j4t n LYS 105 Cb 0.50 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.52 1j4t n LYS 105 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j4t n GLY 106 N -0.16 1.07 3.68 0.72 0.00 -0.86 -5.03 105.19 104.61 1j4t n GLY 106 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.21 4.34 -0.12 1.61 0.52 -1.26 -4.85 118.95 118.98 1j4t s ARG 107 Ca 0.00 0.94 -0.01 0.00 -0.52 0.00 0.00 55.73 56.14 1j4t s ARG 107 Cb 0.00 -3.53 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 1j4t s ARG 107 CO 0.00 -0.18 -0.08 0.95 0.02 0.00 0.00 175.30 176.01 1j4t s THR 108 N 1.65 3.58 -0.92 0.02 -4.23 -1.26 -1.75 115.64 112.73 1j4t s THR 108 Ca 0.37 -0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 1j4t s THR 108 Cb -0.17 -2.52 0.24 0.00 1.34 0.00 0.00 72.50 71.39 1j4t s THR 108 CO 0.15 0.54 0.87 -0.36 -0.54 0.00 0.00 174.62 175.27 1j4t s PHE 109 N -0.02 3.93 0.00 3.99 0.08 0.45 -4.94 117.98 121.47 1j4t s PHE 109 Ca -0.01 -2.25 0.00 0.00 0.12 0.00 0.00 56.93 54.80 1j4t s PHE 109 Cb -0.14 -3.81 0.00 0.00 -0.57 0.00 0.00 43.02 38.51 1j4t s PHE 109 CO 0.03 -0.97 0.00 0.41 -0.10 0.00 0.00 175.22 174.59 1j4t n GLY 110 N 3.53 0.00 3.60 4.36 0.00 -1.26 -3.08 105.19 112.34 1j4t n GLY 110 Ca 0.17 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.61 1j4t n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4t n PRO 111 N 0.00 0.75 -4.13 1.61 -0.04 -1.25 -4.63 135.00 127.31 1j4t n PRO 111 Ca 0.00 0.26 -0.36 0.00 -0.04 0.00 0.00 63.50 63.36 1j4t n PRO 111 Cb 0.00 -1.97 -0.08 0.00 -0.04 0.00 0.00 33.50 31.42 1j4t n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4t s TYR 112 N 4.55 3.38 0.00 0.54 2.02 -0.58 -4.90 117.35 122.36 1j4t s TYR 112 Ca 1.05 0.36 0.00 0.00 -0.37 0.00 0.00 57.07 58.11 1j4t s TYR 112 Cb -1.18 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 38.52 1j4t s TYR 112 CO 0.66 0.60 0.00 0.41 -1.57 0.00 0.00 175.55 175.65 1j4t n GLY 113 N 2.03 0.03 3.74 0.71 0.00 -1.26 -1.06 105.19 109.39 1j4t n GLY 113 Ca -0.19 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.53 6.39 -1.62 1.61 1.11 -1.06 -4.74 116.67 117.84 1j4t s ASP 114 Ca 0.00 0.46 -0.10 0.00 0.18 0.00 0.00 52.55 53.09 1j4t s ASP 114 Cb 0.00 -2.16 -0.08 0.00 1.07 0.00 0.00 42.92 41.75 1j4t s ASP 114 CO 0.00 0.14 2.94 -0.62 1.18 0.00 0.00 175.17 178.81 1j4t n GLU 115 N 3.42 3.74 -5.09 8.23 1.02 -1.26 -3.82 120.64 126.88 1j4t n GLU 115 Ca -0.13 -2.25 -0.31 0.00 -0.02 0.00 0.00 57.16 54.44 1j4t n GLU 115 Cb 0.52 -2.80 -0.15 0.00 -0.02 0.00 0.00 31.44 29.00 1j4t n GLU 115 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1j4t s GLU 116 N 2.05 2.15 0.00 3.49 8.01 -1.26 -5.06 118.70 128.08 1j4t s GLU 116 Ca 0.69 -0.91 0.00 0.00 0.01 0.00 0.00 54.97 54.76 1j4t s GLU 116 Cb 0.18 -2.12 0.00 0.00 -4.31 0.00 0.00 34.13 27.88 1j4t s GLU 116 CO -0.06 0.57 0.00 0.41 0.01 0.00 0.00 175.26 176.18 1j4t n GLY 117 N 2.22 0.51 3.73 -1.39 0.00 -1.26 -4.40 105.19 104.59 1j4t n GLY 117 Ca -0.16 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.45 5.20 0.10 2.61 -1.32 -0.06 -4.83 115.64 116.90 1j4t s THR 118 Ca 0.00 0.86 -0.30 0.00 -1.21 0.00 0.00 61.69 61.04 1j4t s THR 118 Cb 0.00 -3.77 -0.06 0.00 -1.51 0.00 0.00 72.50 67.16 1j4t s THR 118 CO 0.00 0.35 1.07 -0.47 -2.21 0.00 0.00 174.62 173.36 1j4t s TYR 119 N 0.51 3.62 -0.02 9.09 5.04 -1.26 -1.82 117.35 132.51 1j4t s TYR 119 Ca 0.24 1.59 0.08 0.00 -2.44 0.00 0.00 57.07 56.54 1j4t s TYR 119 Cb -0.15 -3.23 -0.02 0.00 0.35 0.00 0.00 41.96 38.91 1j4t s TYR 119 CO 0.09 -0.46 -0.25 -0.59 -1.34 0.00 0.00 175.55 172.99 1j4t s PHE 120 N 0.36 2.35 -0.08 4.97 -0.12 0.34 -4.97 117.98 120.83 1j4t s PHE 120 Ca 0.52 -0.42 -0.01 0.00 -0.05 0.00 0.00 56.93 56.97 1j4t s PHE 120 Cb -0.26 -1.50 0.03 0.00 -0.63 0.00 0.00 43.02 40.66 1j4t s PHE 120 CO 0.31 -0.01 -0.04 1.21 -0.05 0.00 0.00 175.22 176.64 1j4t s ASN 121 N -0.68 1.74 -0.53 1.98 2.47 -1.26 -1.83 114.94 116.84 1j4t s ASN 121 Ca 0.10 -0.18 0.04 0.00 0.42 0.00 0.00 52.86 53.24 1j4t s ASN 121 Cb -0.10 -0.61 0.13 0.00 -1.45 0.00 0.00 41.25 39.22 1j4t s ASN 121 CO -0.01 -0.14 0.28 -0.22 -3.72 0.00 0.00 177.10 173.29 1j4t s LEU 122 N 1.67 4.16 0.29 3.21 2.96 -0.31 -5.02 118.68 125.65 1j4t s LEU 122 Ca 0.02 -3.04 -0.12 0.00 -0.22 0.00 0.00 54.13 50.76 1j4t s LEU 122 Cb -0.13 -1.57 -0.08 0.00 0.50 0.00 0.00 46.19 44.91 1j4t s LEU 122 CO -0.05 -0.22 0.66 -2.16 -1.32 0.00 0.00 176.35 173.25 1j4t s PRO 123 N -0.32 3.91 -0.23 0.98 0.05 -1.26 -2.81 135.00 135.31 1j4t s PRO 123 Ca 0.18 0.49 0.02 0.00 0.05 0.00 0.00 61.00 61.74 1j4t s PRO 123 Cb -0.24 -2.52 0.05 0.00 0.05 0.00 0.00 34.50 31.84 1j4t s PRO 123 CO -0.01 0.21 -0.12 0.42 0.05 0.00 0.00 177.00 177.55 1j4t s ILE 124 N -1.94 1.98 -0.04 0.56 1.01 -0.12 -4.98 121.20 117.68 1j4t s ILE 124 Ca 0.51 -1.35 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 1j4t s ILE 124 Cb -0.11 -2.05 -0.32 0.00 0.01 0.00 0.00 42.46 40.00 1j4t s ILE 124 CO 0.20 0.10 0.86 -0.33 0.00 0.00 0.00 174.94 175.77 1j4t h GLU 125 N 7.86 0.34 -3.11 2.79 5.08 -1.98 -3.46 114.58 122.10 1j4t h GLU 125 Ca -0.25 -0.58 -0.26 0.00 -1.00 0.00 0.00 59.36 57.27 1j4t h GLU 125 Cb 1.07 0.22 -0.34 0.00 0.50 0.00 0.00 28.75 30.20 1j4t h GLU 125 CO 0.49 1.28 -0.60 1.21 -1.00 0.00 0.00 179.01 180.39 1j4t s ASN 126 N -7.10 0.35 0.00 1.42 2.47 -1.26 -5.13 114.94 105.69 1j4t s ASN 126 Ca -0.14 0.37 0.00 0.00 0.42 0.00 0.00 52.86 53.51 1j4t s ASN 126 Cb 0.02 0.31 0.00 0.00 -1.45 0.00 0.00 41.25 40.13 1j4t s ASN 126 CO 0.84 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 174.63 1j4t n GLY 127 N 4.89 1.82 2.93 1.21 0.00 -1.26 -5.02 105.19 109.77 1j4t n GLY 127 Ca -0.13 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 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 1.44 0.24 0.99 1.43 0.81 -4.94 118.68 118.65 1j4t s LEU 128 Ca 0.00 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1j4t s LEU 128 Cb 0.00 -0.56 -0.09 0.00 0.03 0.00 0.00 46.19 45.57 1j4t s LEU 128 CO 0.00 -0.03 1.26 -0.63 0.23 0.00 0.00 176.35 177.19 1j4t s ILE 129 N 0.82 3.17 0.00 -0.59 1.01 -1.26 -1.35 121.20 122.99 1j4t s ILE 129 Ca -0.12 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.56 1j4t s ILE 129 Cb -0.15 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1j4t s ILE 129 CO 0.01 0.19 0.50 0.55 0.00 0.00 0.00 174.94 176.20 1j4t n VAL 130 N 1.94 0.25 0.00 2.92 3.14 0.15 -4.49 118.33 122.24 1j4t n VAL 130 Ca 0.03 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 1j4t n VAL 130 Cb 0.43 1.12 0.00 0.00 -1.06 0.00 0.00 33.84 34.33 1j4t n VAL 130 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j4t n GLY 131 N -0.13 1.11 3.49 7.55 0.00 -1.25 -1.25 105.19 114.72 1j4t n GLY 131 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 2.45 -0.02 1.61 0.08 -1.26 -2.38 117.98 116.45 1j4t s PHE 132 Ca 0.00 -0.30 -0.10 0.00 0.12 0.00 0.00 56.93 56.66 1j4t s PHE 132 Cb 0.00 -1.20 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1j4t s PHE 132 CO 0.00 0.51 0.21 0.21 -0.10 0.00 0.00 175.22 176.05 1j4t s LYS 133 N -2.75 0.48 0.00 0.44 2.20 -1.20 -0.36 119.74 118.55 1j4t s LYS 133 Ca 0.23 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1j4t s LYS 133 Cb -0.08 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1j4t s LYS 133 CO 0.12 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 1j4t n GLY 134 N 1.79 -0.76 3.20 5.54 0.00 -0.62 0.17 105.19 114.51 1j4t n GLY 134 Ca -0.20 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.81 1.12 -0.10 1.61 0.52 -1.07 -0.13 118.95 120.09 1j4t s ARG 135 Ca 0.00 -0.87 -0.12 0.00 -0.52 0.00 0.00 55.73 54.22 1j4t s ARG 135 Cb 0.00 -1.19 0.03 0.00 0.52 0.00 0.00 34.95 34.31 1j4t s ARG 135 CO 0.00 0.30 0.31 0.99 0.02 0.00 0.00 175.30 176.92 1j4t s THR 136 N -0.87 0.01 0.00 0.02 2.01 -0.99 -0.61 115.64 115.21 1j4t s THR 136 Ca 0.04 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1j4t s THR 136 Cb -0.08 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.94 1j4t s THR 136 CO 0.02 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 1j4t n GLY 137 N 2.54 0.21 0.00 4.40 0.00 -1.26 -0.80 105.19 110.28 1j4t n GLY 137 Ca -0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.49 0.72 -3.94 1.61 8.00 -1.26 -4.83 116.55 116.36 1j4t n ASP 138 Ca 0.00 -0.58 -0.10 0.00 0.71 0.00 0.00 54.79 54.82 1j4t n ASP 138 Cb 0.00 1.04 -0.07 0.00 -0.02 0.00 0.00 41.12 42.08 1j4t n ASP 138 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1j4t s LEU 139 N -2.48 0.83 -0.50 0.64 2.34 -1.26 -4.37 118.68 113.88 1j4t s LEU 139 Ca 0.02 -0.84 -0.28 0.00 0.06 0.00 0.00 54.13 53.09 1j4t s LEU 139 Cb 0.05 1.31 -0.01 0.00 -0.56 0.00 0.00 46.19 46.99 1j4t s LEU 139 CO 0.29 -0.92 1.65 -0.22 -1.06 0.00 0.00 176.35 176.09 1j4t s LEU 140 N -2.96 3.42 0.04 1.48 2.96 -1.03 -4.43 118.68 118.15 1j4t s LEU 140 Ca 0.17 0.64 -0.17 0.00 -0.22 0.00 0.00 54.13 54.55 1j4t s LEU 140 Cb 0.03 -3.07 -0.23 0.00 0.50 0.00 0.00 46.19 43.41 1j4t s LEU 140 CO 0.00 -1.88 1.15 0.44 -1.32 0.00 0.00 176.35 174.74 1j4t h ASP 141 N 12.68 0.73 -5.52 3.68 5.19 -1.13 -2.44 116.42 129.61 1j4t h ASP 141 Ca -0.28 -0.75 -0.21 0.00 -0.62 0.00 0.00 57.03 55.16 1j4t h ASP 141 Cb 1.14 -0.22 -0.13 0.00 0.18 0.00 0.00 39.33 40.30 1j4t h ASP 141 CO 1.14 1.38 -0.44 0.00 -3.12 0.00 0.00 179.24 178.19 1j4t s ALA 142 N -3.27 0.83 -0.23 3.45 0.00 -1.21 -1.74 121.76 119.60 1j4t s ALA 142 Ca -0.12 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.18 1j4t s ALA 142 Cb 0.05 1.30 0.06 0.00 0.00 0.00 0.00 23.12 24.53 1j4t s ALA 142 CO 0.87 -0.68 0.57 -1.50 0.00 0.00 0.00 175.76 175.02 1j4t s ILE 143 N -3.98 -0.01 0.38 0.00 1.10 -0.57 -2.59 121.20 115.53 1j4t s ILE 143 Ca 0.34 0.02 0.05 0.00 -0.51 0.00 0.00 60.65 60.56 1j4t s ILE 143 Cb 0.04 -0.82 -0.03 0.00 0.15 0.00 0.00 42.46 41.80 1j4t s ILE 143 CO 0.13 0.01 0.19 -0.83 -2.11 0.00 0.00 174.94 172.33 1j4t s GLY 144 N 1.00 2.50 -0.01 1.50 0.00 0.13 -0.25 107.32 112.19 1j4t s GLY 144 Ca -0.06 -1.55 0.02 0.00 0.00 0.00 0.00 44.72 43.13 1j4t s GLY 144 CO -0.09 -1.68 -0.07 -0.42 0.00 0.00 0.00 173.10 170.84 1j4t s ILE 145 N -3.32 0.57 -0.15 0.90 1.09 0.63 -3.26 121.20 117.66 1j4t s ILE 145 Ca 0.30 -0.29 -0.06 0.00 -1.10 0.00 0.00 60.65 59.51 1j4t s ILE 145 Cb 0.02 -0.49 -0.04 0.00 -1.06 0.00 0.00 42.46 40.89 1j4t s ILE 145 CO 0.20 0.17 0.05 -1.00 -0.10 0.00 0.00 174.94 174.26 1j4t s HIS 146 N -0.03 3.27 0.15 3.97 3.76 -1.00 0.46 115.29 125.88 1j4t s HIS 146 Ca 0.01 0.16 0.05 0.00 -0.15 0.00 0.00 55.06 55.12 1j4t s HIS 146 Cb -0.04 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.62 1j4t s HIS 146 CO -0.00 0.32 -0.10 -1.64 -0.85 0.00 0.00 174.74 172.46 1j4t s MET 147 N -0.17 1.09 0.05 1.40 -1.94 0.01 -0.67 119.30 119.07 1j4t s MET 147 Ca 0.07 -1.47 -0.00 0.00 -1.71 0.00 0.00 55.69 52.57 1j4t s MET 147 Cb -0.12 -0.66 0.00 0.00 2.01 0.00 0.00 34.83 36.06 1j4t s MET 147 CO 0.01 0.08 0.07 0.43 -0.01 0.00 0.00 175.02 175.60 1j4t n SER 148 N -0.22 -0.20 -0.54 3.03 7.64 -0.46 -3.42 113.62 119.46 1j4t n SER 148 Ca -0.10 -1.25 0.07 0.00 1.01 0.00 0.00 58.87 58.60 1j4t n SER 148 Cb 0.61 0.36 0.06 0.00 -1.01 0.00 0.00 64.21 64.23 1j4t n SER 148 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21