#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j01 s LYS 2 N 0.00 4.27 0.05 0.03 -0.14 -1.26 0.11 119.74 122.80 2j01 s LYS 2 Ca 0.00 0.51 -0.04 0.00 -1.36 0.00 0.00 55.97 55.08 2j01 s LYS 2 Cb 0.00 -3.51 -0.02 0.00 -1.68 0.00 0.00 37.83 32.61 2j01 s LYS 2 CO 0.00 -0.05 0.06 0.14 -0.76 0.00 0.00 175.35 174.74 2j01 s VAL 3 N 1.29 0.17 -0.26 3.17 -7.23 0.25 -0.10 120.40 117.70 2j01 s VAL 3 Ca 0.27 -1.42 -0.07 0.00 -1.81 0.00 0.00 61.98 58.95 2j01 s VAL 3 Cb -0.16 -1.25 -0.02 0.00 0.56 0.00 0.00 36.38 35.52 2j01 s VAL 3 CO 0.11 -0.79 0.05 -0.63 -0.31 0.00 0.00 175.10 173.53 2j01 s ILE 4 N -3.45 4.06 0.70 -0.62 1.01 0.33 -0.18 121.20 123.06 2j01 s ILE 4 Ca 0.02 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 2j01 s ILE 4 Cb 0.04 -2.94 0.01 0.00 0.01 0.00 0.00 42.46 39.58 2j01 s ILE 4 CO -0.08 0.29 1.07 -0.76 0.00 0.00 0.00 174.94 175.46 2j01 s LEU 5 N 1.56 3.18 0.03 2.97 1.43 -1.10 -1.14 118.68 125.61 2j01 s LEU 5 Ca 0.05 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 2j01 s LEU 5 Cb -0.15 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.55 2j01 s LEU 5 CO 0.02 -1.56 0.00 0.18 0.23 0.00 0.00 176.35 175.22 2j01 n LEU 6 N -3.01 0.30 -4.80 1.79 4.77 -0.50 -1.09 117.00 114.46 2j01 n LEU 6 Ca 0.08 0.04 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 2j01 n LEU 6 Cb 0.53 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 2j01 n LEU 6 CO 0.53 -0.57 0.67 -1.61 -1.33 0.00 0.00 177.39 175.08 2j01 s GLU 7 N -1.28 4.23 0.14 3.23 8.01 -1.24 -4.37 118.70 127.41 2j01 s GLU 7 Ca 0.00 1.26 -0.30 0.00 0.01 0.00 0.00 54.97 55.94 2j01 s GLU 7 Cb 0.00 -2.35 -0.07 0.00 -4.31 0.00 0.00 34.13 27.39 2j01 s GLU 7 CO 0.00 -0.05 1.24 -1.25 0.01 0.00 0.00 175.26 175.21 2j01 s PRO 8 N -2.84 4.44 0.43 0.39 0.04 -1.24 -4.73 135.00 131.48 2j01 s PRO 8 Ca 0.60 1.89 0.05 0.00 0.04 0.00 0.00 61.00 63.57 2j01 s PRO 8 Cb -0.14 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.07 2j01 s PRO 8 CO 0.19 -0.21 0.02 -0.51 0.04 0.00 0.00 177.00 176.53 2j01 s LEU 9 N 0.39 2.58 -0.10 -3.56 1.43 -0.96 -4.90 118.68 113.55 2j01 s LEU 9 Ca 0.57 -1.47 -0.24 0.00 -1.03 0.00 0.00 54.13 51.96 2j01 s LEU 9 Cb -0.33 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 2j01 s LEU 9 CO 0.33 -0.61 0.75 -0.70 0.23 0.00 0.00 176.35 176.35 2j01 s GLU 10 N -3.78 4.38 0.00 1.70 -6.30 -1.26 -1.68 118.70 111.77 2j01 s GLU 10 Ca 0.26 0.92 0.00 0.00 -2.50 0.00 0.00 54.97 53.65 2j01 s GLU 10 Cb 0.07 -3.50 0.00 0.00 0.00 0.00 0.00 34.13 30.70 2j01 s GLU 10 CO 0.13 -0.08 0.00 -1.71 0.02 0.00 0.00 175.26 173.62 2j01 n ASN 11 N 4.33 0.00 -2.99 -1.70 5.15 -1.26 -4.78 115.26 114.01 2j01 n ASN 11 Ca 0.01 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.99 2j01 n ASN 11 Cb 0.50 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 2j01 n ASN 11 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2j01 s LEU 12 N 0.00 -1.17 0.05 1.20 2.34 -1.22 -5.08 118.68 114.80 2j01 s LEU 12 Ca 0.00 -0.78 0.00 0.00 0.06 0.00 0.00 54.13 53.41 2j01 s LEU 12 Cb 0.00 1.50 0.00 0.00 -0.56 0.00 0.00 46.19 47.13 2j01 s LEU 12 CO 0.00 -0.11 0.00 0.61 -1.06 0.00 0.00 176.35 175.79 2j01 n GLY 13 N 3.87 -0.02 3.47 -3.48 0.00 -0.67 -2.27 105.19 106.07 2j01 n GLY 13 Ca 0.11 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.51 2j01 n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j01 n ASP 14 N -3.21 1.11 -3.71 1.61 8.00 -1.26 -3.57 116.55 115.51 2j01 n ASP 14 Ca 0.00 0.87 -0.23 0.00 0.71 0.00 0.00 54.79 56.14 2j01 n ASP 14 Cb 0.27 -0.93 0.18 0.00 -0.02 0.00 0.00 41.12 40.61 2j01 n ASP 14 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2j01 n VAL 15 N 5.54 0.00 -0.45 2.53 0.24 -1.26 -2.18 118.33 122.75 2j01 n VAL 15 Ca 0.44 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.64 2j01 n VAL 15 Cb -0.02 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 2j01 n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2j01 n GLY 16 N 2.25 0.00 3.62 7.63 0.00 -0.25 -4.85 105.19 113.60 2j01 n GLY 16 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2j01 n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2j01 s GLN 17 N -0.91 4.10 -0.31 1.61 0.74 -0.93 -4.84 119.66 119.13 2j01 s GLN 17 Ca 0.00 0.48 -0.29 0.00 0.05 0.00 0.00 55.36 55.60 2j01 s GLN 17 Cb 0.00 -3.65 0.01 0.00 1.10 0.00 0.00 33.01 30.47 2j01 s GLN 17 CO 0.00 -0.39 1.13 0.08 -0.55 0.00 0.00 175.29 175.56 2j01 s VAL 18 N 2.42 4.42 0.05 1.34 1.01 -1.26 -2.70 120.40 125.69 2j01 s VAL 18 Ca 0.25 1.63 0.04 0.00 0.00 0.00 0.00 61.98 63.90 2j01 s VAL 18 Cb -0.16 -4.35 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 2j01 s VAL 18 CO 0.09 -0.47 -0.12 0.54 0.00 0.00 0.00 175.10 175.13 2j01 s VAL 19 N 3.80 0.93 -0.27 2.92 0.11 0.75 -4.89 120.40 123.75 2j01 s VAL 19 Ca 0.48 -1.10 -0.18 0.00 -2.93 0.00 0.00 61.98 58.24 2j01 s VAL 19 Cb -0.13 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 2j01 s VAL 19 CO 0.17 -0.18 0.54 1.51 -3.33 0.00 0.00 175.10 173.81 2j01 s ASP 20 N -1.44 6.44 0.49 3.54 3.84 -1.24 -0.59 116.67 127.71 2j01 s ASP 20 Ca -0.03 0.48 0.03 0.00 -0.00 0.00 0.00 52.55 53.02 2j01 s ASP 20 Cb -0.09 -2.29 -0.03 0.00 -1.38 0.00 0.00 42.92 39.14 2j01 s ASP 20 CO 0.01 -0.33 0.02 0.68 -0.00 0.00 0.00 175.17 175.55 2j01 s VAL 21 N 2.37 1.36 0.09 2.11 -7.23 0.30 -4.86 120.40 114.54 2j01 s VAL 21 Ca 0.22 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.10 2j01 s VAL 21 Cb -0.15 -2.34 -0.07 0.00 0.56 0.00 0.00 36.38 34.38 2j01 s VAL 21 CO 0.10 0.00 1.31 -0.75 -0.31 0.00 0.00 175.10 175.44 2j01 s LYS 22 N -3.86 4.37 0.24 4.82 2.47 -1.26 -2.44 119.74 124.09 2j01 s LYS 22 Ca 0.13 1.95 -0.15 0.00 -1.56 0.00 0.00 55.97 56.34 2j01 s LYS 22 Cb 0.03 -3.29 0.30 0.00 -1.46 0.00 0.00 37.83 33.41 2j01 s LYS 22 CO 0.07 -0.36 1.54 -2.30 0.16 0.00 0.00 175.35 174.46 2j01 n PRO 23 N 3.92 -0.19 0.07 4.03 -0.02 -1.26 -0.69 135.00 140.85 2j01 n PRO 23 Ca 0.10 1.53 -0.11 0.00 -2.02 0.00 0.00 63.50 63.00 2j01 n PRO 23 Cb 0.44 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 2j01 n PRO 23 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2j01 h GLY 24 N 0.00 -0.32 0.17 -1.23 0.00 -1.98 0.57 103.07 100.28 2j01 h GLY 24 Ca 0.38 0.25 0.08 0.00 0.00 0.00 0.00 47.33 48.05 2j01 h GLY 24 CO -0.99 -0.19 -0.11 -1.82 0.00 0.00 0.00 176.54 173.43 2j01 h TYR 25 N -0.35 -0.24 0.64 5.60 -0.00 -1.29 0.95 116.97 122.29 2j01 h TYR 25 Ca 0.05 0.04 -0.03 0.00 -0.00 0.00 0.00 58.73 58.80 2j01 h TYR 25 Cb 0.42 0.17 -0.01 0.00 -0.00 0.00 0.00 36.73 37.30 2j01 h TYR 25 CO -0.25 -0.18 -0.47 0.00 -0.00 0.00 0.00 178.16 177.25 2j01 h ALA 26 N 1.39 -1.21 -0.38 1.82 0.00 -1.00 -0.93 119.26 118.94 2j01 h ALA 26 Ca 0.20 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2j01 h ALA 26 Cb 0.31 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 2j01 h ALA 26 CO -0.42 -1.20 0.03 0.00 0.00 0.00 0.00 179.25 177.66 2j01 h ARG 27 N -1.07 0.14 -0.32 0.00 3.08 -0.06 -0.16 114.38 115.98 2j01 h ARG 27 Ca -0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2j01 h ARG 27 Cb 0.88 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2j01 h ARG 27 CO 0.03 0.09 0.00 0.09 -1.07 0.00 0.00 179.97 179.11 2j01 n ASN 28 N -5.15 3.26 0.00 7.04 3.02 0.32 -4.06 115.26 119.69 2j01 n ASN 28 Ca 0.02 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 2j01 n ASN 28 Cb 0.19 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2j01 n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j01 n TYR 29 N 1.34 0.00 -0.10 3.10 9.36 -0.39 -4.73 117.16 125.74 2j01 n TYR 29 Ca 0.17 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.29 2j01 n TYR 29 Cb 0.57 0.15 -0.05 0.00 -0.63 0.00 0.00 39.34 39.37 2j01 n TYR 29 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2j01 h LEU 30 N 0.00 -1.37 -0.27 2.98 3.38 -1.54 0.19 115.31 118.68 2j01 h LEU 30 Ca 0.00 0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 2j01 h LEU 30 Cb 0.00 0.59 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2j01 h LEU 30 CO 0.00 -0.38 -0.02 0.25 0.09 0.00 0.00 178.44 178.39 2j01 h LEU 31 N -0.35 0.48 -1.28 1.67 5.85 -1.21 0.38 115.31 120.84 2j01 h LEU 31 Ca 0.13 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 2j01 h LEU 31 Cb 0.59 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2j01 h LEU 31 CO -0.53 0.69 0.06 -0.65 -0.34 0.00 0.00 178.44 177.66 2j01 h PRO 32 N 0.26 0.55 -0.25 5.25 0.11 -1.60 -1.83 132.00 134.48 2j01 h PRO 32 Ca 0.07 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2j01 h PRO 32 Cb 0.45 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2j01 h PRO 32 CO 0.02 0.53 0.00 0.54 -0.21 0.00 0.00 178.00 178.88 2j01 n ARG 33 N -4.32 1.81 -3.66 1.05 1.74 0.61 -4.93 116.66 108.97 2j01 n ARG 33 Ca 0.02 -1.24 -0.24 0.00 -0.77 0.00 0.00 57.85 55.62 2j01 n ARG 33 Cb 0.21 -1.36 0.06 0.00 -1.02 0.00 0.00 32.46 30.34 2j01 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j01 n GLY 34 N 1.14 -0.47 0.63 -0.13 0.00 -0.69 -4.87 105.19 100.80 2j01 n GLY 34 Ca 0.15 0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.47 2j01 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2j01 n LEU 35 N -4.67 2.29 -3.73 0.99 4.77 0.13 -4.83 117.00 111.94 2j01 n LEU 35 Ca -0.08 -0.87 -0.01 0.00 -0.03 0.00 0.00 56.01 55.02 2j01 n LEU 35 Cb 0.59 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 2j01 n LEU 35 CO 0.67 0.41 0.87 0.00 -1.33 0.00 0.00 177.39 178.01 2j01 s ALA 36 N -2.04 -1.90 0.11 -1.18 0.00 -1.18 -1.41 121.76 114.16 2j01 s ALA 36 Ca 0.20 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.45 2j01 s ALA 36 Cb 0.17 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2j01 s ALA 36 CO 0.40 -1.06 -0.04 0.08 0.00 0.00 0.00 175.76 175.15 2j01 s VAL 37 N -2.78 0.58 -0.11 0.00 1.01 -0.30 -4.33 120.40 114.48 2j01 s VAL 37 Ca 0.15 -1.93 -0.29 0.00 0.00 0.00 0.00 61.98 59.91 2j01 s VAL 37 Cb 0.01 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2j01 s VAL 37 CO 0.00 -0.77 1.58 -0.76 0.00 0.00 0.00 175.10 175.15 2j01 s LEU 38 N -3.06 4.21 -0.23 3.92 1.02 -1.26 -0.51 118.68 122.76 2j01 s LEU 38 Ca 0.15 2.01 -0.24 0.00 0.02 0.00 0.00 54.13 56.07 2j01 s LEU 38 Cb 0.06 -3.53 -0.26 0.00 0.02 0.00 0.00 46.19 42.47 2j01 s LEU 38 CO -0.03 -0.97 1.63 0.00 0.02 0.00 0.00 176.35 177.00 2j01 n ALA 39 N 7.33 1.65 -2.77 4.21 0.00 0.86 -4.74 120.51 127.06 2j01 n ALA 39 Ca 0.17 -2.50 -0.37 0.00 0.00 0.00 0.00 53.44 50.75 2j01 n ALA 39 Cb 0.44 -3.54 -0.06 0.00 0.00 0.00 0.00 19.45 16.28 2j01 n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2j01 s THR 40 N 6.10 5.38 0.22 0.00 -4.23 -1.26 -4.85 115.64 116.99 2j01 s THR 40 Ca 0.57 0.37 -0.03 0.00 -1.18 0.00 0.00 61.69 61.42 2j01 s THR 40 Cb 0.13 -3.50 0.33 0.00 1.34 0.00 0.00 72.50 70.80 2j01 s THR 40 CO 0.23 0.57 1.15 -0.62 -0.54 0.00 0.00 174.62 175.41 2j01 n GLU 41 N 2.28 -0.06 -0.07 3.99 1.02 -1.26 0.11 120.64 126.64 2j01 n GLU 41 Ca -0.17 1.13 -0.09 0.00 -0.02 0.00 0.00 57.16 58.00 2j01 n GLU 41 Cb 0.54 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 2j01 n GLU 41 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2j01 h SER 42 N 0.00 -1.14 -0.27 1.62 0.87 -1.94 0.34 113.55 113.02 2j01 h SER 42 Ca 0.39 0.15 -0.11 0.00 -1.23 0.00 0.00 61.79 61.00 2j01 h SER 42 Cb 0.71 0.46 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2j01 h SER 42 CO -0.73 -0.26 -0.24 0.78 -0.53 0.00 0.00 176.83 175.85 2j01 h ASN 43 N -0.27 0.68 -0.38 6.23 2.35 -0.36 -2.27 115.58 121.56 2j01 h ASN 43 Ca 0.04 -0.46 0.08 0.00 -0.55 0.00 0.00 56.30 55.41 2j01 h ASN 43 Cb 0.38 -0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.48 2j01 h ASN 43 CO -0.35 1.00 -0.19 0.25 -1.65 0.00 0.00 177.43 176.50 2j01 h LEU 44 N 0.37 -0.64 -0.23 1.61 6.46 0.11 0.78 115.31 123.77 2j01 h LEU 44 Ca 0.05 0.15 -0.09 0.00 -0.12 0.00 0.00 57.88 57.86 2j01 h LEU 44 Cb 0.80 0.35 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 2j01 h LEU 44 CO 0.06 -0.22 -0.22 0.07 -0.62 0.00 0.00 178.44 177.51 2j01 h LYS 45 N -0.12 0.56 -0.29 1.25 2.10 -0.39 -1.89 116.57 117.78 2j01 h LYS 45 Ca 0.19 -0.29 0.08 0.00 -2.00 0.00 0.00 60.65 58.63 2j01 h LYS 45 Cb 0.41 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 2j01 h LYS 45 CO -0.45 0.88 0.29 0.00 -2.00 0.00 0.00 179.45 178.16 2j01 h ALA 46 N 0.67 2.00 0.28 0.07 0.00 -0.70 0.20 119.26 121.78 2j01 h ALA 46 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2j01 h ALA 46 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2j01 h ALA 46 CO 0.06 -0.44 -0.13 1.25 0.00 0.00 0.00 179.25 179.98 2j01 h LEU 47 N 0.00 -0.32 -1.00 0.00 5.85 0.12 -2.88 115.31 117.08 2j01 h LEU 47 Ca 0.14 -0.21 0.38 0.00 0.84 0.00 0.00 57.88 59.03 2j01 h LEU 47 Cb 0.71 0.08 -0.17 0.00 0.37 0.00 0.00 40.66 41.66 2j01 h LEU 47 CO -0.00 0.15 0.55 -0.08 -0.34 0.00 0.00 178.44 178.72 2j01 h GLU 48 N -0.91 0.12 0.00 1.25 4.22 0.08 0.37 114.58 119.71 2j01 h GLU 48 Ca -0.04 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2j01 h GLU 48 Cb 0.51 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2j01 h GLU 48 CO 0.06 0.08 -0.01 0.00 -2.18 0.00 0.00 179.01 176.96 2j01 h ALA 49 N 1.94 -0.52 0.00 2.92 0.00 -0.90 0.29 119.26 122.99 2j01 h ALA 49 Ca 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.72 2j01 h ALA 49 Cb 2.04 0.50 0.00 0.00 0.00 0.00 0.00 17.79 20.33 2j01 h ALA 49 CO -0.71 -0.52 0.16 0.54 0.00 0.00 0.00 179.25 178.72 2j01 n ARG 50 N -2.56 0.03 0.00 0.00 1.74 0.11 -1.24 116.66 114.74 2j01 n ARG 50 Ca -0.00 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2j01 n ARG 50 Cb 0.01 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 2j01 n ARG 50 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2j01 n ILE 51 N -1.54 0.00 0.48 0.55 2.08 0.82 -3.78 119.36 117.97 2j01 n ILE 51 Ca -0.00 0.41 -0.19 0.00 0.56 0.00 0.00 62.75 63.53 2j01 n ILE 51 Cb 0.17 -1.23 -0.09 0.00 -0.75 0.00 0.00 39.64 37.74 2j01 n ILE 51 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2j01 h ARG 52 N 0.00 -1.18 -0.67 0.38 0.11 -0.75 0.52 114.38 112.80 2j01 h ARG 52 Ca 0.00 0.08 0.22 0.00 0.10 0.00 0.00 59.98 60.38 2j01 h ARG 52 Cb 0.00 0.27 -0.12 0.00 1.11 0.00 0.00 29.97 31.22 2j01 h ARG 52 CO 0.00 -0.78 0.14 0.00 0.10 0.00 0.00 179.97 179.42 2j01 n ALA 53 N -2.65 0.46 0.01 0.08 0.00 -0.38 0.15 120.51 118.18 2j01 n ALA 53 Ca -0.15 0.70 0.09 0.00 0.00 0.00 0.00 53.44 54.08 2j01 n ALA 53 Cb 0.48 -0.58 -0.13 0.00 0.00 0.00 0.00 19.45 19.22 2j01 n ALA 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2j01 n GLN 54 N -4.76 0.65 0.16 0.00 0.00 -1.17 -2.53 117.38 109.74 2j01 n GLN 54 Ca 0.19 -0.10 0.12 0.00 -0.00 0.00 0.00 57.00 57.22 2j01 n GLN 54 Cb 0.64 -1.60 0.56 0.00 0.00 0.00 0.00 30.24 29.84 2j01 n GLN 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2j01 h ALA 55 N 1.88 1.00 0.00 1.69 0.00 0.67 -1.87 119.26 122.63 2j01 h ALA 55 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2j01 h ALA 55 Cb 1.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2j01 h ALA 55 CO 0.00 0.00 -1.25 0.36 0.00 0.00 0.00 179.25 178.37 2j01 n LYS 56 N -2.34 1.55 0.29 0.00 2.85 -0.47 -4.07 118.16 115.97 2j01 n LYS 56 Ca 0.01 0.01 0.14 0.00 -1.05 0.00 0.00 58.31 57.43 2j01 n LYS 56 Cb 0.17 -1.09 0.88 0.00 -0.65 0.00 0.00 35.03 34.34 2j01 n LYS 56 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2j01 h ARG 57 N 0.00 0.00 0.00 -1.58 2.43 -1.40 0.37 114.38 114.20 2j01 h ARG 57 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2j01 h ARG 57 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2j01 h ARG 57 CO -0.01 0.02 -1.32 -0.11 -1.51 0.00 0.00 179.97 177.05 2j01 n LEU 58 N -3.83 0.53 -0.72 3.80 0.00 -0.71 -3.33 117.00 112.74 2j01 n LEU 58 Ca -0.03 0.15 0.05 0.00 0.00 0.00 0.00 56.01 56.18 2j01 n LEU 58 Cb 0.11 -0.05 0.15 0.00 0.00 0.00 0.00 43.42 43.63 2j01 n LEU 58 CO 0.28 -0.08 0.60 0.00 0.00 0.00 0.00 177.39 178.19 2j01 n ALA 59 N -2.12 2.60 -0.07 1.96 0.00 0.99 -3.81 120.51 120.06 2j01 n ALA 59 Ca -0.01 -0.63 -0.09 0.00 0.00 0.00 0.00 53.44 52.70 2j01 n ALA 59 Cb 0.53 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 2j01 n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2j01 h GLU 60 N 1.87 0.00 0.00 0.00 4.57 -0.65 -2.80 114.58 117.57 2j01 h GLU 60 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2j01 h GLU 60 Cb 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2j01 h GLU 60 CO 0.05 0.46 0.00 0.54 -1.18 0.00 0.00 179.01 178.88 2j01 n ARG 61 N -4.62 0.26 -0.07 1.92 3.00 -1.25 0.06 116.66 115.97 2j01 n ARG 61 Ca -0.11 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.66 2j01 n ARG 61 Cb 0.33 -1.29 -0.12 0.00 0.00 0.00 0.00 32.46 31.38 2j01 n ARG 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2j01 n LYS 62 N -0.79 1.34 0.15 5.56 0.00 -1.23 -3.38 118.16 119.81 2j01 n LYS 62 Ca 0.04 -0.02 0.08 0.00 0.00 0.00 0.00 58.31 58.40 2j01 n LYS 62 Cb 0.02 -1.40 0.07 0.00 0.00 0.00 0.00 35.03 33.71 2j01 n LYS 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2j01 h ALA 63 N 0.85 0.77 0.00 3.14 0.00 -0.09 -3.27 119.26 120.66 2j01 h ALA 63 Ca -0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2j01 h ALA 63 Cb 1.85 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 2j01 h ALA 63 CO 0.02 0.27 -1.67 0.39 0.00 0.00 0.00 179.25 178.27 2j01 n GLU 64 N -3.02 0.64 0.03 0.00 -0.58 -0.65 -2.86 120.64 114.19 2j01 n GLU 64 Ca 0.01 -0.08 0.13 0.00 -0.42 0.00 0.00 57.16 56.80 2j01 n GLU 64 Cb 0.62 -1.63 0.53 0.00 -0.57 0.00 0.00 31.44 30.40 2j01 n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2j01 n ALA 65 N -2.25 2.21 -0.09 0.62 0.00 -1.22 -2.47 120.51 117.32 2j01 n ALA 65 Ca -0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 2j01 n ALA 65 Cb 0.59 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 2j01 n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2j01 n GLU 66 N -1.70 1.10 -0.56 0.00 -0.58 -1.23 -2.80 120.64 114.87 2j01 n GLU 66 Ca 0.06 0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.76 2j01 n GLU 66 Cb 0.34 -1.45 0.15 0.00 -0.57 0.00 0.00 31.44 29.91 2j01 n GLU 66 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2j01 n ARG 67 N -2.69 2.34 0.10 3.49 1.74 -1.14 -3.61 116.66 116.88 2j01 n ARG 67 Ca -0.29 -1.62 0.00 0.00 -0.77 0.00 0.00 57.85 55.17 2j01 n ARG 67 Cb 1.05 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 2j01 n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2j01 n LEU 68 N -0.03 0.42 -0.42 0.55 7.94 -1.03 -4.82 117.00 119.60 2j01 n LEU 68 Ca 0.23 0.32 0.34 0.00 -1.11 0.00 0.00 56.01 55.79 2j01 n LEU 68 Cb 0.94 0.06 0.64 0.00 0.53 0.00 0.00 43.42 45.59 2j01 n LEU 68 CO 0.25 -0.75 1.26 0.50 -1.11 0.00 0.00 177.39 177.54 2j01 h LYS 69 N 0.00 0.14 0.00 1.96 3.64 -1.60 0.18 116.57 120.89 2j01 h LYS 69 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2j01 h LYS 69 Cb 0.02 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2j01 h LYS 69 CO 0.00 0.10 0.00 0.39 -2.27 0.00 0.00 179.45 177.67 2j01 n GLU 70 N -4.55 0.32 0.00 1.90 -0.58 -1.24 -2.17 120.64 114.32 2j01 n GLU 70 Ca 0.33 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 2j01 n GLU 70 Cb 1.31 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.68 2j01 n GLU 70 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2j01 n ILE 71 N -1.04 0.00 0.44 -3.67 -5.35 0.63 -4.59 119.36 105.76 2j01 n ILE 71 Ca 0.08 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.66 2j01 n ILE 71 Cb 0.05 -1.14 0.43 0.00 -1.74 0.00 0.00 39.64 37.24 2j01 n ILE 71 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2j01 n LEU 72 N -2.80 0.44 0.07 7.28 7.99 -1.18 0.21 117.00 129.01 2j01 n LEU 72 Ca 0.00 0.61 -0.13 0.00 -0.01 0.00 0.00 56.01 56.47 2j01 n LEU 72 Cb 0.45 -0.55 -0.04 0.00 -0.11 0.00 0.00 43.42 43.17 2j01 n LEU 72 CO 0.00 -0.45 0.19 -0.08 -1.51 0.00 0.00 177.39 175.54 2j01 h GLU 73 N 0.00 0.40 0.01 3.23 4.57 -1.56 -3.21 114.58 118.02 2j01 h GLU 73 Ca 0.00 -0.43 -0.35 0.00 -1.18 0.00 0.00 59.36 57.40 2j01 h GLU 73 Cb 0.33 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 2j01 h GLU 73 CO 0.00 1.10 -2.19 0.09 -1.18 0.00 0.00 179.01 176.83 2j01 n ASN 74 N -3.74 0.53 -4.76 1.04 4.13 -0.80 -4.88 115.26 106.78 2j01 n ASN 74 Ca -0.07 0.11 -0.40 0.00 1.68 0.00 0.00 54.58 55.91 2j01 n ASN 74 Cb 0.83 0.48 -0.05 0.00 -1.54 0.00 0.00 39.78 39.50 2j01 n ASN 74 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2j01 s LEU 75 N -5.83 4.52 0.02 3.41 2.96 0.13 -5.02 118.68 118.88 2j01 s LEU 75 Ca -0.11 1.58 0.08 0.00 -0.22 0.00 0.00 54.13 55.45 2j01 s LEU 75 Cb 0.07 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.43 2j01 s LEU 75 CO 0.80 0.09 -0.23 0.42 -1.32 0.00 0.00 176.35 176.11 2j01 s THR 76 N -0.52 1.86 -0.09 3.68 -4.23 -1.26 -3.55 115.64 111.52 2j01 s THR 76 Ca 0.38 -1.18 -0.09 0.00 -1.18 0.00 0.00 61.69 59.62 2j01 s THR 76 Cb -0.22 -1.58 -0.06 0.00 1.34 0.00 0.00 72.50 71.97 2j01 s THR 76 CO 0.25 0.36 0.30 -0.07 -0.54 0.00 0.00 174.62 174.92 2j01 h LEU 77 N 5.08 -0.10 -2.98 4.79 3.38 -1.59 -3.47 115.31 120.43 2j01 h LEU 77 Ca -0.43 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2j01 h LEU 77 Cb 1.14 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2j01 h LEU 77 CO 0.45 0.46 -0.04 0.41 0.09 0.00 0.00 178.44 179.81 2j01 n THR 78 N -4.84 -2.97 -3.55 0.22 -1.04 -1.25 -4.76 114.28 96.09 2j01 n THR 78 Ca -0.03 0.07 -0.36 0.00 -2.04 0.00 0.00 64.05 61.68 2j01 n THR 78 Cb 0.13 -3.72 -0.07 0.00 -1.82 0.00 0.00 70.33 64.85 2j01 n THR 78 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2j01 s ILE 79 N -0.02 5.31 0.00 12.58 -1.09 -0.81 -4.81 121.20 132.36 2j01 s ILE 79 Ca -0.01 0.53 -0.03 0.00 -2.23 0.00 0.00 60.65 58.92 2j01 s ILE 79 Cb 0.00 -3.62 -0.11 0.00 -1.58 0.00 0.00 42.46 37.14 2j01 s ILE 79 CO 0.02 0.40 2.35 -2.65 -1.23 0.00 0.00 174.94 173.83 2j01 n PRO 80 N 3.52 1.23 -1.68 2.79 -0.02 -1.26 0.74 135.00 140.32 2j01 n PRO 80 Ca -0.12 -0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 60.50 2j01 n PRO 80 Cb 0.52 -1.52 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 2j01 n PRO 80 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2j01 n VAL 81 N 2.11 0.48 -2.37 -1.45 0.31 -0.79 -4.66 118.33 111.98 2j01 n VAL 81 Ca 0.18 -0.09 -0.42 0.00 -0.01 0.00 0.00 64.34 64.00 2j01 n VAL 81 Cb 0.58 -2.10 -0.02 0.00 -0.91 0.00 0.00 33.84 31.39 2j01 n VAL 81 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2j01 s ARG 82 N 3.28 3.36 0.03 5.55 3.52 -1.26 -4.06 118.95 129.38 2j01 s ARG 82 Ca 0.85 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 57.06 2j01 s ARG 82 Cb -0.51 -4.10 -0.00 0.00 -1.56 0.00 0.00 34.95 28.77 2j01 s ARG 82 CO 0.41 -1.85 0.04 0.00 -0.81 0.00 0.00 175.30 173.09 2j01 n ALA 83 N 9.45 0.00 -3.43 6.12 0.00 -1.26 -3.53 120.51 127.86 2j01 n ALA 83 Ca 0.14 -0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 2j01 n ALA 83 Cb 0.49 0.14 -0.11 0.00 0.00 0.00 0.00 19.45 19.97 2j01 n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2j01 s GLY 84 N -1.22 0.14 0.00 0.00 0.00 -1.21 -4.77 107.32 100.27 2j01 s GLY 84 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.95 2j01 s GLY 84 CO 0.02 2.46 0.00 1.18 0.00 0.00 0.00 173.10 176.77 2j01 n GLU 85 N 4.96 0.00 0.00 2.90 -0.58 -1.26 -3.98 120.64 122.68 2j01 n GLU 85 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2j01 n GLU 85 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 2j01 n GLU 85 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2j01 n THR 86 N 0.00 0.00 -1.81 2.62 -1.04 -1.26 -4.58 114.28 108.21 2j01 n THR 86 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2j01 n THR 86 Cb 0.00 -0.55 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 2j01 n THR 86 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2j01 s LYS 87 N 0.00 4.16 0.96 -2.82 2.47 -1.26 -2.55 119.74 120.71 2j01 s LYS 87 Ca 0.00 2.49 -0.16 0.00 -1.56 0.00 0.00 55.97 56.74 2j01 s LYS 87 Cb 0.00 -3.49 0.20 0.00 -1.46 0.00 0.00 37.83 33.08 2j01 s LYS 87 CO 0.00 -0.77 1.32 0.42 0.16 0.00 0.00 175.35 176.47 2j01 s ILE 88 N 2.37 2.00 -0.20 5.43 -1.09 -1.26 -3.29 121.20 125.16 2j01 s ILE 88 Ca 0.77 -0.01 0.07 0.00 -2.23 0.00 0.00 60.65 59.25 2j01 s ILE 88 Cb -0.44 -2.99 -0.17 0.00 -1.58 0.00 0.00 42.46 37.28 2j01 s ILE 88 CO 0.34 0.00 -0.10 -1.22 -1.23 0.00 0.00 174.94 172.73 2j01 n TYR 89 N -3.75 0.00 -3.58 3.97 4.02 -1.23 -4.85 117.16 111.74 2j01 n TYR 89 Ca 0.15 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.75 2j01 n TYR 89 Cb 0.59 -0.84 -0.14 0.00 -0.02 0.00 0.00 39.34 38.94 2j01 n TYR 89 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2j01 s GLY 90 N -5.72 0.86 0.19 2.72 0.00 -1.26 -5.12 107.32 98.99 2j01 s GLY 90 Ca -0.21 -1.61 -0.17 0.00 0.00 0.00 0.00 44.72 42.72 2j01 s GLY 90 CO 0.58 1.92 0.23 -1.14 0.00 0.00 0.00 173.10 174.68 2j01 n SER 91 N 4.62 -1.32 -4.46 1.64 3.41 -1.26 -4.87 113.62 111.38 2j01 n SER 91 Ca 0.02 0.68 -0.43 0.00 -0.26 0.00 0.00 58.87 58.87 2j01 n SER 91 Cb 0.40 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.67 2j01 n SER 91 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2j01 s VAL 92 N -0.88 4.54 0.56 -3.33 0.11 -0.57 -4.93 120.40 115.91 2j01 s VAL 92 Ca 0.42 -0.26 -0.05 0.00 -2.93 0.00 0.00 61.98 59.16 2j01 s VAL 92 Cb -0.55 -4.52 0.00 0.00 -1.53 0.00 0.00 36.38 29.79 2j01 s VAL 92 CO 0.40 -1.14 0.86 0.42 -3.33 0.00 0.00 175.10 172.31 2j01 s THR 93 N 3.50 3.78 0.26 5.04 -4.23 -1.26 -4.37 115.64 118.36 2j01 s THR 93 Ca 0.22 -0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.65 2j01 s THR 93 Cb -0.17 -3.48 0.25 0.00 1.34 0.00 0.00 72.50 70.44 2j01 s THR 93 CO 0.13 -0.47 1.70 0.00 -0.54 0.00 0.00 174.62 175.43 2j01 h ALA 94 N -0.07 1.11 -0.70 3.99 0.00 -1.94 0.39 119.26 122.04 2j01 h ALA 94 Ca -0.46 0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.81 2j01 h ALA 94 Cb 1.25 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2j01 h ALA 94 CO 0.60 -0.31 0.53 0.87 0.00 0.00 0.00 179.25 180.94 2j01 h LYS 95 N 0.35 0.00 0.14 0.00 1.57 -1.93 1.85 116.57 118.54 2j01 h LYS 95 Ca 0.46 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.89 2j01 h LYS 95 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2j01 h LYS 95 CO -0.49 0.00 -1.85 -0.44 -0.57 0.00 0.00 179.45 176.10 2j01 h ASP 96 N 0.00 0.47 0.20 0.86 3.32 -0.73 1.02 116.42 121.56 2j01 h ASP 96 Ca 0.33 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.45 2j01 h ASP 96 Cb 1.38 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2j01 h ASP 96 CO -0.00 1.81 0.00 -0.38 -1.72 0.00 0.00 179.24 178.95 2j01 n ILE 97 N -3.59 0.62 -0.02 0.35 5.41 0.43 0.12 119.36 122.68 2j01 n ILE 97 Ca -0.29 0.16 -0.07 0.00 1.00 0.00 0.00 62.75 63.55 2j01 n ILE 97 Cb 1.03 -0.96 -0.02 0.00 -0.71 0.00 0.00 39.64 38.98 2j01 n ILE 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2j01 n ALA 98 N -1.26 2.47 0.22 -1.39 0.00 0.60 -4.37 120.51 116.78 2j01 n ALA 98 Ca 0.06 -0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 2j01 n ALA 98 Cb 0.09 0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 2j01 n ALA 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2j01 h GLU 99 N -0.28 -0.71 0.00 0.00 4.81 0.14 1.10 114.58 119.65 2j01 h GLU 99 Ca -0.14 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2j01 h GLU 99 Cb 0.90 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2j01 h GLU 99 CO -0.08 -0.47 0.03 0.00 -0.73 0.00 0.00 179.01 177.75 2j01 n ALA 100 N -2.64 1.11 -0.08 2.92 0.00 0.31 -0.84 120.51 121.30 2j01 n ALA 100 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 2j01 n ALA 100 Cb 0.33 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 2j01 n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2j01 n LEU 101 N -1.09 1.47 -0.32 0.00 7.94 0.34 -4.04 117.00 121.31 2j01 n LEU 101 Ca 0.00 0.25 -0.04 0.00 -1.11 0.00 0.00 56.01 55.11 2j01 n LEU 101 Cb 0.03 -0.58 0.08 0.00 0.53 0.00 0.00 43.42 43.48 2j01 n LEU 101 CO 0.00 0.07 1.23 -1.28 -1.11 0.00 0.00 177.39 176.29 2j01 h SER 102 N -0.68 1.02 -0.34 1.96 0.87 0.16 0.72 113.55 117.26 2j01 h SER 102 Ca -0.29 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.20 2j01 h SER 102 Cb 1.13 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 2j01 h SER 102 CO -0.18 0.76 0.03 0.54 -0.53 0.00 0.00 176.83 177.46 2j01 n ARG 103 N -4.45 3.07 0.00 2.24 1.74 -0.02 -0.43 116.66 118.81 2j01 n ARG 103 Ca 0.09 -1.77 0.00 0.00 -0.77 0.00 0.00 57.85 55.41 2j01 n ARG 103 Cb 0.03 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 2j01 n ARG 103 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2j01 n GLN 104 N 0.28 2.24 0.00 5.56 7.27 -0.55 -4.91 117.38 127.28 2j01 n GLN 104 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.24 2j01 n GLN 104 Cb 0.82 -0.87 0.00 0.00 2.41 0.00 0.00 30.24 32.60 2j01 n GLN 104 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2j01 n HIS 105 N -1.75 0.00 0.00 3.69 8.25 0.14 -5.04 115.22 120.50 2j01 n HIS 105 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2j01 n HIS 105 Cb 0.37 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2j01 n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2j01 n GLY 106 N 2.87 1.42 3.81 -1.41 0.00 0.43 -5.05 105.19 107.26 2j01 n GLY 106 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2j01 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j01 s VAL 107 N -2.00 4.92 -0.04 1.61 1.01 -1.25 -4.95 120.40 119.69 2j01 s VAL 107 Ca 0.00 1.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.81 2j01 s VAL 107 Cb 0.00 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2j01 s VAL 107 CO 0.00 0.54 0.58 -0.89 0.00 0.00 0.00 175.10 175.33 2j01 s THR 108 N -0.88 5.00 -0.02 3.92 2.01 -1.26 -3.13 115.64 121.28 2j01 s THR 108 Ca 0.27 1.20 -0.00 0.00 0.31 0.00 0.00 61.69 63.47 2j01 s THR 108 Cb -0.18 -3.92 0.03 0.00 0.01 0.00 0.00 72.50 68.44 2j01 s THR 108 CO 0.16 0.37 0.03 0.27 -0.69 0.00 0.00 174.62 174.76 2j01 s ILE 109 N 0.14 -0.05 -0.26 1.82 -5.25 -1.26 -5.06 121.20 111.27 2j01 s ILE 109 Ca 0.31 0.20 -0.29 0.00 -0.99 0.00 0.00 60.65 59.87 2j01 s ILE 109 Cb -0.17 -0.08 -0.01 0.00 2.95 0.00 0.00 42.46 45.15 2j01 s ILE 109 CO 0.16 0.08 1.41 -1.81 -1.79 0.00 0.00 174.94 172.98 2j01 s ASP 110 N 0.98 6.59 0.00 4.36 1.01 -1.26 -4.86 116.67 123.49 2j01 s ASP 110 Ca -0.08 1.38 0.00 0.00 0.71 0.00 0.00 52.55 54.56 2j01 s ASP 110 Cb -0.12 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2j01 s ASP 110 CO -0.03 -1.12 0.17 -0.81 0.21 0.00 0.00 175.17 173.59 2j01 n PRO 111 N 7.38 0.20 0.00 8.23 -0.04 -1.26 -1.53 135.00 147.97 2j01 n PRO 111 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2j01 n PRO 111 Cb 0.46 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2j01 n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2j01 n LYS 112 N 0.74 0.00 0.22 0.54 5.02 -1.26 -4.63 118.16 118.79 2j01 n LYS 112 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2j01 n LYS 112 Cb 0.08 -0.20 0.53 0.00 -0.02 0.00 0.00 35.03 35.41 2j01 n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j01 h ARG 113 N 0.00 0.00 -0.34 1.97 2.47 -1.65 -3.12 114.38 113.71 2j01 h ARG 113 Ca 0.00 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.82 2j01 h ARG 113 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2j01 h ARG 113 CO 0.00 0.24 0.83 -0.07 0.56 0.00 0.00 179.97 181.54 2j01 h LEU 114 N 0.00 0.00 -2.71 3.04 3.38 -1.76 -2.50 115.31 114.76 2j01 h LEU 114 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2j01 h LEU 114 Cb 0.54 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.38 2j01 h LEU 114 CO 0.03 0.00 -0.38 0.00 0.09 0.00 0.00 178.44 178.18 2j01 n ALA 115 N -1.91 -1.37 -2.48 1.53 0.00 -1.18 -3.90 120.51 111.20 2j01 n ALA 115 Ca 0.07 0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 2j01 n ALA 115 Cb 0.95 -2.83 -0.14 0.00 0.00 0.00 0.00 19.45 17.44 2j01 n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2j01 s LEU 116 N -4.07 2.51 -0.04 0.00 2.96 -1.26 -4.79 118.68 113.99 2j01 s LEU 116 Ca 0.20 -0.30 0.21 0.00 -0.22 0.00 0.00 54.13 54.02 2j01 s LEU 116 Cb -0.03 -1.49 -0.32 0.00 0.50 0.00 0.00 46.19 44.85 2j01 s LEU 116 CO 0.33 0.32 0.44 -1.84 -1.32 0.00 0.00 176.35 174.28 2j01 n GLU 117 N 2.45 0.65 -3.59 1.98 0.28 -1.26 -5.01 120.64 116.14 2j01 n GLU 117 Ca -0.17 -0.18 -0.13 0.00 -0.16 0.00 0.00 57.16 56.52 2j01 n GLU 117 Cb 0.52 -1.51 -0.06 0.00 1.43 0.00 0.00 31.44 31.82 2j01 n GLU 117 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2j01 s LYS 118 N -3.40 0.73 0.00 3.44 1.02 -1.26 -5.04 119.74 115.23 2j01 s LYS 118 Ca -0.08 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.37 2j01 s LYS 118 Cb 0.13 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.79 2j01 s LYS 118 CO 0.88 -0.17 0.33 -0.35 -0.92 0.00 0.00 175.35 175.11 2j01 n PRO 119 N 1.54 0.31 0.00 -1.68 -0.04 -1.26 -4.90 135.00 128.97 2j01 n PRO 119 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2j01 n PRO 119 Cb 0.57 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 2j01 n PRO 119 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2j01 n ILE 120 N 0.89 0.00 -1.26 0.52 5.41 -1.26 -1.51 119.36 122.16 2j01 n ILE 120 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2j01 n ILE 120 Cb 0.16 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.09 2j01 n ILE 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2j01 n LYS 121 N 0.00 0.00 0.00 0.38 4.81 -1.26 -4.95 118.16 117.14 2j01 n LYS 121 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2j01 n LYS 121 Cb 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 33.79 2j01 n LYS 121 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2j01 n GLU 122 N -1.24 0.00 -1.05 1.64 0.00 -1.26 -4.08 120.64 114.66 2j01 n GLU 122 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.81 2j01 n GLU 122 Cb 0.42 0.00 0.07 0.00 0.00 0.00 0.00 31.44 31.93 2j01 n GLU 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2j01 n LEU 123 N 0.00 -1.43 0.00 4.31 4.77 -1.06 -4.96 117.00 118.63 2j01 n LEU 123 Ca 0.00 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2j01 n LEU 123 Cb 0.00 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 2j01 n LEU 123 CO 0.00 -4.08 0.00 0.61 -1.33 0.00 0.00 177.39 172.59 2j01 n GLY 124 N 2.08 -0.81 3.07 -0.72 0.00 -1.25 -4.98 105.19 102.57 2j01 n GLY 124 Ca 0.06 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 2j01 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j01 s GLU 125 N -2.00 2.60 -0.03 1.61 0.41 -1.26 -2.70 118.70 117.33 2j01 s GLU 125 Ca 0.00 -2.70 -0.16 0.00 -0.41 0.00 0.00 54.97 51.70 2j01 s GLU 125 Cb 0.00 -3.70 -0.05 0.00 -1.78 0.00 0.00 34.13 28.60 2j01 s GLU 125 CO 0.00 -1.19 0.43 0.71 -0.49 0.00 0.00 175.26 174.72 2j01 s TYR 126 N -0.36 3.67 -0.07 1.61 4.12 -0.46 -4.93 117.35 120.92 2j01 s TYR 126 Ca 0.19 0.97 0.01 0.00 0.02 0.00 0.00 57.07 58.25 2j01 s TYR 126 Cb -0.18 -2.37 0.02 0.00 -1.52 0.00 0.00 41.96 37.91 2j01 s TYR 126 CO -0.05 0.50 -0.07 0.08 0.02 0.00 0.00 175.55 176.03 2j01 s VAL 127 N -0.58 0.86 0.00 0.71 1.01 -1.26 0.24 120.40 121.38 2j01 s VAL 127 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2j01 s VAL 127 Cb -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.36 2j01 s VAL 127 CO 0.12 0.31 0.00 0.18 0.00 0.00 0.00 175.10 175.72 2j01 n LEU 128 N 4.36 0.00 -3.64 3.92 4.32 0.81 -4.96 117.00 121.80 2j01 n LEU 128 Ca -0.19 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.74 2j01 n LEU 128 Cb 0.51 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.24 2j01 n LEU 128 CO 0.21 0.00 0.37 -0.89 -1.22 0.00 0.00 177.39 175.85 2j01 s THR 129 N 3.47 -0.08 0.63 -5.08 2.01 -1.26 -3.55 115.64 111.78 2j01 s THR 129 Ca 0.00 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 2j01 s THR 129 Cb 0.00 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 71.66 2j01 s THR 129 CO 0.00 0.00 0.75 0.00 -0.69 0.00 0.00 174.62 174.68 2j01 n TYR 130 N 4.36 -3.86 -3.97 4.92 9.36 -1.13 -4.20 117.16 122.63 2j01 n TYR 130 Ca -0.19 -0.67 -0.09 0.00 3.32 0.00 0.00 57.90 60.27 2j01 n TYR 130 Cb 0.58 -0.63 -0.08 0.00 -0.63 0.00 0.00 39.34 38.58 2j01 n TYR 130 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2j01 s LYS 131 N -4.66 0.86 0.00 2.98 2.20 -0.94 -4.44 119.74 115.74 2j01 s LYS 131 Ca 0.44 -1.13 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 2j01 s LYS 131 Cb -0.02 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 2j01 s LYS 131 CO 0.32 -0.26 0.00 -2.30 -0.36 0.00 0.00 175.35 172.75 2j01 n PRO 132 N -0.06 3.17 0.00 4.03 -0.02 -1.26 -4.87 135.00 135.99 2j01 n PRO 132 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2j01 n PRO 132 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.10 2j01 n PRO 132 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2j01 n HIS 133 N 0.00 0.00 -1.53 6.00 1.44 -1.26 -4.21 115.22 115.66 2j01 n HIS 133 Ca 0.00 0.00 -0.58 0.00 -2.01 0.00 0.00 57.72 55.13 2j01 n HIS 133 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 2j01 n HIS 133 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2j01 n PRO 134 N 0.00 0.19 -3.48 -1.40 -0.02 -1.26 -4.90 135.00 124.13 2j01 n PRO 134 Ca 0.00 0.07 -0.28 0.00 -2.02 0.00 0.00 63.50 61.27 2j01 n PRO 134 Cb 0.00 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 2j01 n PRO 134 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2j01 s GLU 135 N 0.31 3.59 -0.40 -0.52 8.01 -1.26 -4.89 118.70 123.54 2j01 s GLU 135 Ca 0.91 -0.12 0.02 0.00 0.01 0.00 0.00 54.97 55.79 2j01 s GLU 135 Cb -1.23 -2.72 0.12 0.00 -4.31 0.00 0.00 34.13 25.98 2j01 s GLU 135 CO 0.57 0.29 0.17 0.54 0.01 0.00 0.00 175.26 176.84 2j01 s VAL 136 N -1.99 1.61 -0.57 2.63 0.11 -1.26 -4.95 120.40 115.98 2j01 s VAL 136 Ca 0.42 -2.33 -0.26 0.00 -2.93 0.00 0.00 61.98 56.88 2j01 s VAL 136 Cb -0.11 -2.16 -0.06 0.00 -1.53 0.00 0.00 36.38 32.52 2j01 s VAL 136 CO 0.29 -0.77 2.23 -2.16 -3.33 0.00 0.00 175.10 171.37 2j01 s PRO 137 N 0.69 2.22 0.13 1.54 0.04 -1.26 -2.85 135.00 135.52 2j01 s PRO 137 Ca 0.14 1.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.03 2j01 s PRO 137 Cb -0.22 -4.57 -0.07 0.00 0.04 0.00 0.00 34.50 29.68 2j01 s PRO 137 CO -0.08 -3.24 0.60 0.42 0.04 0.00 0.00 177.00 174.75 2j01 s ILE 138 N 11.46 4.73 0.20 0.56 1.01 -1.21 -3.94 121.20 134.01 2j01 s ILE 138 Ca 0.87 1.11 0.08 0.00 0.00 0.00 0.00 60.65 62.71 2j01 s ILE 138 Cb -0.15 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2j01 s ILE 138 CO 0.22 0.37 0.01 -1.58 0.00 0.00 0.00 174.94 173.96 2j01 s GLN 139 N -1.60 2.41 -0.06 2.79 0.74 -1.23 -0.14 119.66 122.56 2j01 s GLN 139 Ca 0.35 -1.18 0.02 0.00 0.05 0.00 0.00 55.36 54.60 2j01 s GLN 139 Cb -0.17 -2.32 0.02 0.00 1.10 0.00 0.00 33.01 31.63 2j01 s GLN 139 CO 0.20 0.43 -0.10 -1.17 -0.55 0.00 0.00 175.29 174.10 2j01 s LEU 140 N -3.18 1.53 -0.90 3.68 2.96 0.65 -1.41 118.68 122.01 2j01 s LEU 140 Ca 0.29 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2j01 s LEU 140 Cb -0.08 -0.73 0.24 0.00 0.50 0.00 0.00 46.19 46.11 2j01 s LEU 140 CO 0.19 0.00 0.90 0.29 -1.32 0.00 0.00 176.35 176.41 2j01 n LYS 141 N 3.95 2.94 -1.93 1.98 5.02 -1.26 -1.35 118.16 127.50 2j01 n LYS 141 Ca -0.23 -4.52 -0.43 0.00 -2.02 0.00 0.00 58.31 51.11 2j01 n LYS 141 Cb 0.51 -2.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.09 2j01 n LYS 141 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2j01 s VAL 142 N -1.77 3.41 0.50 -0.18 -7.23 -1.10 -1.92 120.40 112.12 2j01 s VAL 142 Ca 0.30 0.43 0.08 0.00 -1.81 0.00 0.00 61.98 60.98 2j01 s VAL 142 Cb -0.02 -3.51 0.03 0.00 0.56 0.00 0.00 36.38 33.44 2j01 s VAL 142 CO -0.07 -0.29 0.51 -0.55 -0.31 0.00 0.00 175.10 174.38 2j01 s SER 143 N 6.05 4.98 0.11 4.85 0.15 0.23 -3.91 113.70 126.15 2j01 s SER 143 Ca 0.83 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2j01 s SER 143 Cb -0.26 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 2j01 s SER 143 CO 0.34 -0.99 0.00 0.52 1.20 0.00 0.00 173.24 174.31 2j01 n VAL 144 N -1.82 0.00 -0.70 4.45 0.31 -1.26 -1.88 118.33 117.43 2j01 n VAL 144 Ca 0.05 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.48 2j01 n VAL 144 Cb 0.62 -1.18 -0.03 0.00 -0.91 0.00 0.00 33.84 32.35 2j01 n VAL 144 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2j01 n VAL 145 N -0.72 0.00 0.00 2.52 0.31 -1.26 -4.70 118.33 114.48 2j01 n VAL 145 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2j01 n VAL 145 Cb 0.00 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 2j01 n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51