#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j01 n ASN 2 N 0.00 0.01 -3.20 6.12 3.02 -1.26 -0.93 115.26 119.02 2j01 n ASN 2 Ca 0.00 0.27 -0.23 0.00 -0.03 0.00 0.00 54.58 54.59 2j01 n ASN 2 Cb 0.00 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 2j01 n ASN 2 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2j01 n ARG 3 N -1.28 1.51 -0.54 3.52 5.12 -1.26 -4.90 116.66 118.82 2j01 n ARG 3 Ca -0.00 -3.79 0.45 0.00 -1.93 0.00 0.00 57.85 52.58 2j01 n ARG 3 Cb 0.24 -1.70 0.76 0.00 -1.16 0.00 0.00 32.46 30.60 2j01 n ARG 3 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2j01 h GLY 4 N 3.61 0.28 0.10 -0.13 0.00 -1.48 0.13 103.07 105.59 2j01 h GLY 4 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2j01 h GLY 4 CO 0.60 -0.08 -0.05 0.00 0.00 0.00 0.00 176.54 177.01 2j01 h ALA 5 N 1.25 -0.47 -0.99 3.60 0.00 -1.90 -2.72 119.26 118.03 2j01 h ALA 5 Ca 0.81 -0.03 0.35 0.00 0.00 0.00 0.00 54.91 56.03 2j01 h ALA 5 Cb 3.08 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 20.75 2j01 h ALA 5 CO -0.09 -0.46 0.40 1.25 0.00 0.00 0.00 179.25 180.35 2j01 h LEU 6 N -0.28 0.14 0.00 0.00 6.46 -1.27 0.73 115.31 121.10 2j01 h LEU 6 Ca -0.01 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 2j01 h LEU 6 Cb 0.11 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 2j01 h LEU 6 CO 0.02 -0.34 0.00 -0.38 -0.62 0.00 0.00 178.44 177.13 2j01 n ILE 7 N -5.27 0.00 -0.33 4.05 2.08 0.19 -0.18 119.36 119.90 2j01 n ILE 7 Ca 0.32 1.39 0.21 0.00 0.56 0.00 0.00 62.75 65.23 2j01 n ILE 7 Cb 1.05 -2.36 0.40 0.00 -0.75 0.00 0.00 39.64 37.98 2j01 n ILE 7 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2j01 n LYS 8 N -1.74 -0.07 0.25 0.38 4.81 0.59 0.75 118.16 123.13 2j01 n LYS 8 Ca 0.00 1.42 -0.16 0.00 -0.87 0.00 0.00 58.31 58.70 2j01 n LYS 8 Cb 0.00 -2.37 -0.08 0.00 0.02 0.00 0.00 35.03 32.60 2j01 n LYS 8 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2j01 h LEU 9 N 0.00 -1.08 -0.24 3.14 3.38 0.67 -3.00 115.31 118.17 2j01 h LEU 9 Ca 0.68 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.77 2j01 h LEU 9 Cb 1.59 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 42.66 2j01 h LEU 9 CO -0.86 -0.55 -0.22 0.58 0.09 0.00 0.00 178.44 177.48 2j01 h VAL 10 N -0.82 0.00 -0.56 1.22 2.07 0.37 -0.03 116.25 118.50 2j01 h VAL 10 Ca -0.04 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.71 2j01 h VAL 10 Cb 0.73 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 2j01 h VAL 10 CO -0.06 0.00 0.27 -0.62 0.02 0.00 0.00 177.57 177.18 2j01 n GLU 11 N -3.77 -0.03 -2.75 1.57 4.71 -0.90 -2.97 120.64 116.49 2j01 n GLU 11 Ca -0.01 0.78 -0.42 0.00 -0.01 0.00 0.00 57.16 57.50 2j01 n GLU 11 Cb 0.12 -1.38 -0.03 0.00 -1.01 0.00 0.00 31.44 29.14 2j01 n GLU 11 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2j01 s SER 12 N -4.76 6.38 -0.14 1.62 1.04 -0.02 -4.71 113.70 113.10 2j01 s SER 12 Ca -0.05 -1.30 0.15 0.00 0.48 0.00 0.00 55.95 55.22 2j01 s SER 12 Cb 0.19 -2.47 0.33 0.00 0.10 0.00 0.00 66.02 64.16 2j01 s SER 12 CO 0.44 -1.42 1.17 -1.14 0.98 0.00 0.00 173.24 173.26 2j01 n ARG 13 N 7.96 1.24 -0.31 4.02 0.00 -1.16 -4.61 116.66 123.81 2j01 n ARG 13 Ca 0.14 -2.72 0.08 0.00 -0.00 0.00 0.00 57.85 55.35 2j01 n ARG 13 Cb 0.48 -1.39 0.24 0.00 0.00 0.00 0.00 32.46 31.79 2j01 n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2j01 n TYR 14 N -1.10 0.78 -0.80 -0.14 4.02 -1.26 -4.99 117.16 113.67 2j01 n TYR 14 Ca 0.15 -0.54 -0.19 0.00 -0.01 0.00 0.00 57.90 57.32 2j01 n TYR 14 Cb 0.69 -0.06 0.16 0.00 -0.02 0.00 0.00 39.34 40.12 2j01 n TYR 14 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2j01 n VAL 15 N 0.90 0.00 -3.64 -0.72 0.24 -1.26 -4.85 118.33 109.00 2j01 n VAL 15 Ca 0.18 -0.28 -0.07 0.00 -2.04 0.00 0.00 64.34 62.13 2j01 n VAL 15 Cb 0.57 -1.11 -0.07 0.00 -1.47 0.00 0.00 33.84 31.76 2j01 n VAL 15 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2j01 s ARG 16 N -4.56 0.54 -0.33 7.34 1.81 -1.26 -5.06 118.95 117.43 2j01 s ARG 16 Ca 0.45 0.79 -0.03 0.00 -1.72 0.00 0.00 55.73 55.22 2j01 s ARG 16 Cb -0.05 0.19 0.06 0.00 -0.45 0.00 0.00 34.95 34.70 2j01 s ARG 16 CO 0.35 -0.09 0.06 -0.08 -0.68 0.00 0.00 175.30 174.86 2j01 s THR 17 N 0.89 3.15 0.00 0.02 -1.32 -1.26 -4.66 115.64 112.45 2j01 s THR 17 Ca -0.04 -1.51 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 2j01 s THR 17 Cb -0.05 -2.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 2j01 s THR 17 CO -0.11 -0.25 0.00 -0.90 -2.21 0.00 0.00 174.62 171.15 2j01 n ASP 18 N 4.64 0.00 -4.77 8.08 5.75 -1.26 -5.13 116.55 123.86 2j01 n ASP 18 Ca -0.10 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.28 2j01 n ASP 18 Cb 0.43 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 2j01 n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2j01 s LEU 19 N -0.23 4.40 1.00 -2.12 1.43 -1.26 -4.99 118.68 116.90 2j01 s LEU 19 Ca 0.00 2.33 -0.14 0.00 -1.03 0.00 0.00 54.13 55.28 2j01 s LEU 19 Cb 0.00 -3.79 0.06 0.00 0.03 0.00 0.00 46.19 42.48 2j01 s LEU 19 CO 0.00 -0.37 0.29 -2.65 0.23 0.00 0.00 176.35 173.84 2j01 n PRO 20 N 0.71 -0.69 -3.66 1.29 -0.02 -1.26 -4.97 135.00 126.41 2j01 n PRO 20 Ca 0.01 -0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 60.94 2j01 n PRO 20 Cb 0.45 -1.81 -0.10 0.00 -0.02 0.00 0.00 33.50 32.02 2j01 n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2j01 s GLU 21 N -3.58 2.36 0.42 -0.52 2.12 -1.26 -5.07 118.70 113.18 2j01 s GLU 21 Ca 0.56 -1.67 0.07 0.00 0.36 0.00 0.00 54.97 54.30 2j01 s GLU 21 Cb -0.18 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 2j01 s GLU 21 CO 0.67 -1.06 0.23 -0.59 -0.54 0.00 0.00 175.26 173.98 2j01 s PHE 22 N 1.30 2.57 -0.29 5.30 -0.12 -1.26 -5.15 117.98 120.34 2j01 s PHE 22 Ca 0.05 -0.58 -0.14 0.00 -0.05 0.00 0.00 56.93 56.21 2j01 s PHE 22 Cb -0.24 -2.00 0.12 0.00 -0.63 0.00 0.00 43.02 40.27 2j01 s PHE 22 CO -0.01 0.08 0.78 -0.98 -0.05 0.00 0.00 175.22 175.05 2j01 s ARG 23 N -3.97 0.53 0.00 1.99 1.70 -1.26 -5.00 118.95 112.94 2j01 s ARG 23 Ca 0.42 1.11 0.00 0.00 -0.47 0.00 0.00 55.73 56.79 2j01 s ARG 23 Cb 0.02 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 2j01 s ARG 23 CO 0.23 -0.14 0.00 -2.30 -1.08 0.00 0.00 175.30 172.01 2j01 n PRO 24 N 4.68 -0.79 0.00 3.89 -0.02 -1.26 -4.66 135.00 136.84 2j01 n PRO 24 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2j01 n PRO 24 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 2j01 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2j01 n GLY 25 N -0.73 0.85 2.69 -1.23 0.00 -1.26 -4.63 105.19 100.87 2j01 n GLY 25 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2j01 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j01 s ASP 26 N 1.00 -0.40 0.00 1.61 3.68 -1.24 -4.05 116.67 117.26 2j01 s ASP 26 Ca 0.00 -0.46 0.00 0.00 2.13 0.00 0.00 52.55 54.22 2j01 s ASP 26 Cb 0.00 0.53 0.00 0.00 -1.45 0.00 0.00 42.92 42.00 2j01 s ASP 26 CO 0.00 -0.02 0.00 1.07 0.13 0.00 0.00 175.17 176.35 2j01 n THR 27 N 2.69 0.00 0.00 1.71 5.66 -1.25 -2.72 114.28 120.37 2j01 n THR 27 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 2j01 n THR 27 Cb 0.64 -0.67 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 2j01 n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2j01 n VAL 28 N 0.00 0.00 -3.56 1.08 0.31 -1.01 -4.11 118.33 111.04 2j01 n VAL 28 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2j01 n VAL 28 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 2j01 n VAL 28 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2j01 s ARG 29 N 0.00 0.55 0.00 5.55 6.06 -1.21 -4.16 118.95 125.74 2j01 s ARG 29 Ca 0.00 -0.21 0.00 0.00 -2.50 0.00 0.00 55.73 53.02 2j01 s ARG 29 Cb 0.00 0.25 0.00 0.00 0.06 0.00 0.00 34.95 35.26 2j01 s ARG 29 CO 0.00 -0.24 0.00 1.33 -2.50 0.00 0.00 175.30 173.89 2j01 n VAL 30 N -0.18 0.00 -1.15 7.11 0.24 -1.26 -4.12 118.33 118.96 2j01 n VAL 30 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2j01 n VAL 30 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2j01 n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2j01 n SER 31 N 0.00 0.50 0.03 -1.34 3.41 -0.85 -4.76 113.62 110.61 2j01 n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2j01 n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2j01 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2j01 n TYR 32 N 0.00 -0.47 -1.98 7.33 -0.00 -1.23 -4.01 117.16 116.80 2j01 n TYR 32 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 2j01 n TYR 32 Cb 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 39.34 39.80 2j01 n TYR 32 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2j01 n LYS 33 N -2.70 -4.74 -4.11 -3.48 4.76 -1.23 -2.92 118.16 103.74 2j01 n LYS 33 Ca 0.00 3.45 -0.33 0.00 -2.87 0.00 0.00 58.31 58.56 2j01 n LYS 33 Cb 0.00 -3.88 -0.16 0.00 -1.84 0.00 0.00 35.03 29.15 2j01 n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2j01 s VAL 34 N -0.48 2.10 -1.69 -0.18 1.01 -1.26 -3.40 120.40 116.51 2j01 s VAL 34 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2j01 s VAL 34 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2j01 s VAL 34 CO 0.00 0.46 0.00 2.29 0.00 0.00 0.00 175.10 177.85 2j01 n LYS 35 N 4.60 -0.39 -0.67 2.72 2.85 -0.83 -4.99 118.16 121.45 2j01 n LYS 35 Ca -0.20 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.04 2j01 n LYS 35 Cb 0.49 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.86 2j01 n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2j01 n GLU 36 N 0.00 -1.81 0.00 -1.58 2.13 -1.26 0.11 120.64 118.22 2j01 n GLU 36 Ca 0.00 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.14 2j01 n GLU 36 Cb 0.00 -3.95 0.00 0.00 0.27 0.00 0.00 31.44 27.76 2j01 n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2j01 n GLY 37 N 0.32 2.96 3.50 8.31 0.00 -1.26 -5.01 105.19 114.01 2j01 n GLY 37 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2j01 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j01 s ASN 38 N -1.34 4.19 0.00 1.61 4.22 0.30 -5.00 114.94 118.92 2j01 s ASN 38 Ca 0.00 -0.15 0.00 0.00 -2.14 0.00 0.00 52.86 50.57 2j01 s ASN 38 Cb 0.00 -0.97 0.00 0.00 1.28 0.00 0.00 41.25 41.56 2j01 s ASN 38 CO 0.00 0.34 0.80 0.54 -2.04 0.00 0.00 177.10 176.74 2j01 n ARG 39 N 2.34 0.85 -3.43 3.55 1.74 -1.26 -1.96 116.66 118.48 2j01 n ARG 39 Ca -0.17 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.70 2j01 n ARG 39 Cb 0.52 -1.05 -0.02 0.00 -1.02 0.00 0.00 32.46 30.90 2j01 n ARG 39 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2j01 s THR 40 N -1.88 2.66 0.00 0.55 -4.23 -1.22 -4.53 115.64 106.99 2j01 s THR 40 Ca 0.00 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2j01 s THR 40 Cb 0.00 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.92 2j01 s THR 40 CO 0.00 0.00 0.00 -1.14 -0.54 0.00 0.00 174.62 172.94 2j01 n ARG 41 N -1.66 0.00 -0.78 3.99 0.00 -1.15 -4.59 116.66 112.48 2j01 n ARG 41 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.74 2j01 n ARG 41 Cb 0.61 0.00 0.08 0.00 0.00 0.00 0.00 32.46 33.15 2j01 n ARG 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2j01 n ILE 42 N 0.00 2.46 -1.03 5.15 -5.35 -1.26 -3.50 119.36 115.83 2j01 n ILE 42 Ca 0.00 -1.34 -0.41 0.00 -0.27 0.00 0.00 62.75 60.74 2j01 n ILE 42 Cb 0.00 -0.93 -0.06 0.00 -1.74 0.00 0.00 39.64 36.92 2j01 n ILE 42 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2j01 n GLN 43 N -0.20 0.00 -2.41 6.28 7.27 -1.26 -3.69 117.38 123.36 2j01 n GLN 43 Ca 0.34 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 57.19 2j01 n GLN 43 Cb 0.95 -0.99 0.11 0.00 2.41 0.00 0.00 30.24 32.72 2j01 n GLN 43 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2j01 n ASP 44 N 1.44 1.22 -3.36 1.69 9.92 -1.26 -2.01 116.55 124.19 2j01 n ASP 44 Ca 0.15 -2.04 -0.22 0.00 -0.53 0.00 0.00 54.79 52.15 2j01 n ASP 44 Cb 0.03 -0.62 -0.09 0.00 -0.64 0.00 0.00 41.12 39.80 2j01 n ASP 44 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2j01 s PHE 45 N -2.90 0.24 -0.33 1.24 5.36 -1.26 -4.86 117.98 115.47 2j01 s PHE 45 Ca 0.62 -1.39 -0.28 0.00 -0.96 0.00 0.00 56.93 54.92 2j01 s PHE 45 Cb -0.03 -0.63 -0.03 0.00 -0.34 0.00 0.00 43.02 41.99 2j01 s PHE 45 CO 0.41 -0.91 1.92 -2.00 -1.46 0.00 0.00 175.22 173.18 2j01 s GLU 46 N 0.98 3.20 0.25 10.12 2.56 -1.26 -3.36 118.70 131.20 2j01 s GLU 46 Ca 0.21 1.52 -0.20 0.00 0.00 0.00 0.00 54.97 56.50 2j01 s GLU 46 Cb -0.13 -4.26 0.07 0.00 2.00 0.00 0.00 34.13 31.81 2j01 s GLU 46 CO -0.05 -2.02 0.95 0.20 -0.56 0.00 0.00 175.26 173.78 2j01 s GLY 47 N 6.92 0.17 0.10 -1.50 0.00 -1.26 -4.46 107.32 107.29 2j01 s GLY 47 Ca 0.84 -0.44 0.05 0.00 0.00 0.00 0.00 44.72 45.17 2j01 s GLY 47 CO 0.33 1.35 0.02 -0.42 0.00 0.00 0.00 173.10 174.38 2j01 s ILE 48 N -2.32 4.12 -0.56 0.90 1.09 -1.11 -3.91 121.20 119.41 2j01 s ILE 48 Ca 0.19 -0.98 -0.21 0.00 -1.10 0.00 0.00 60.65 58.56 2j01 s ILE 48 Cb -0.03 -2.98 0.07 0.00 -1.06 0.00 0.00 42.46 38.46 2j01 s ILE 48 CO 0.07 0.10 0.76 0.54 -0.10 0.00 0.00 174.94 176.31 2j01 s VAL 49 N -1.37 4.68 0.18 2.92 0.11 -1.26 0.40 120.40 126.06 2j01 s VAL 49 Ca 0.27 -0.45 -0.04 0.00 -2.93 0.00 0.00 61.98 58.83 2j01 s VAL 49 Cb -0.12 -4.46 -0.07 0.00 -1.53 0.00 0.00 36.38 30.21 2j01 s VAL 49 CO 0.19 -1.05 1.48 0.40 -3.33 0.00 0.00 175.10 172.79 2j01 h ILE 50 N 5.92 1.32 -1.72 7.04 5.03 -1.24 -3.37 117.51 130.50 2j01 h ILE 50 Ca -0.28 -1.85 0.03 0.00 -0.12 0.00 0.00 64.86 62.64 2j01 h ILE 50 Cb 1.08 1.82 -0.22 0.00 -3.03 0.00 0.00 36.82 36.47 2j01 h ILE 50 CO 1.06 0.58 0.40 -0.60 -0.68 0.00 0.00 178.15 178.90 2j01 s ARG 51 N -3.93 0.72 -0.24 2.37 3.52 -1.22 -1.66 118.95 118.51 2j01 s ARG 51 Ca -0.07 0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.87 2j01 s ARG 51 Cb 0.11 0.34 0.06 0.00 -1.56 0.00 0.00 34.95 33.90 2j01 s ARG 51 CO 0.85 -0.19 -0.07 0.42 -0.81 0.00 0.00 175.30 175.49 2j01 s ILE 52 N -0.75 1.73 -0.36 4.11 1.01 -1.26 -0.44 121.20 125.24 2j01 s ILE 52 Ca -0.03 -1.34 -0.10 0.00 0.00 0.00 0.00 60.65 59.19 2j01 s ILE 52 Cb -0.02 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.54 2j01 s ILE 52 CO 0.02 -0.06 0.17 -0.60 0.00 0.00 0.00 174.94 174.48 2j01 s ARG 53 N 1.30 2.78 0.40 2.79 3.00 -0.56 -4.96 118.95 123.71 2j01 s ARG 53 Ca -0.07 -1.10 -0.22 0.00 -1.00 0.00 0.00 55.73 53.34 2j01 s ARG 53 Cb -0.19 -3.64 -0.10 0.00 0.00 0.00 0.00 34.95 31.01 2j01 s ARG 53 CO -0.06 -0.68 0.97 1.03 0.00 0.00 0.00 175.30 176.56 2j01 s ARG 54 N 1.51 4.27 -0.03 5.12 0.52 -1.26 -2.69 118.95 126.39 2j01 s ARG 54 Ca 0.01 1.23 0.01 0.00 -0.52 0.00 0.00 55.73 56.46 2j01 s ARG 54 Cb -0.19 -2.36 0.04 0.00 0.52 0.00 0.00 34.95 32.95 2j01 s ARG 54 CO 0.05 0.00 0.79 -1.71 0.02 0.00 0.00 175.30 174.45 2j01 n ASN 55 N -0.31 -0.76 0.00 0.23 5.15 -1.26 -4.98 115.26 113.33 2j01 n ASN 55 Ca 0.06 -1.49 0.00 0.00 -0.60 0.00 0.00 54.58 52.55 2j01 n ASN 55 Cb 0.52 0.25 0.00 0.00 -0.53 0.00 0.00 39.78 40.03 2j01 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2j01 n GLY 56 N -0.15 1.87 3.74 8.20 0.00 -1.26 -4.56 105.19 113.02 2j01 n GLY 56 Ca -0.19 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2j01 n GLY 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2j01 s PHE 57 N 0.00 2.18 0.00 1.61 5.99 -1.26 -4.55 117.98 121.96 2j01 s PHE 57 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 56.93 56.15 2j01 s PHE 57 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 43.02 41.24 2j01 s PHE 57 CO 0.00 0.19 0.00 0.27 -0.00 0.00 0.00 175.22 175.68 2j01 n ASN 58 N -1.24 -0.48 -4.67 6.13 2.04 -1.26 -4.81 115.26 110.97 2j01 n ASN 58 Ca -0.09 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.63 2j01 n ASN 58 Cb 0.66 -1.22 -0.03 0.00 -2.53 0.00 0.00 39.78 36.66 2j01 n ASN 58 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2j01 s THR 59 N -0.44 3.34 0.57 5.53 -1.32 -1.26 -4.87 115.64 117.20 2j01 s THR 59 Ca 0.00 0.51 0.08 0.00 -1.21 0.00 0.00 61.69 61.07 2j01 s THR 59 Cb 0.00 -3.33 0.08 0.00 -1.51 0.00 0.00 72.50 67.74 2j01 s THR 59 CO 0.00 -0.04 0.79 0.42 -2.21 0.00 0.00 174.62 173.58 2j01 s THR 60 N 3.81 2.28 0.07 5.08 -4.23 -1.09 -4.25 115.64 117.29 2j01 s THR 60 Ca 0.77 -0.94 -0.24 0.00 -1.18 0.00 0.00 61.69 60.10 2j01 s THR 60 Cb -0.37 -2.34 0.06 0.00 1.34 0.00 0.00 72.50 71.19 2j01 s THR 60 CO 0.33 0.00 0.56 0.72 -0.54 0.00 0.00 174.62 175.69 2j01 s PHE 61 N -2.69 -0.48 0.10 3.99 -0.00 -0.61 -1.49 117.98 116.80 2j01 s PHE 61 Ca 0.61 0.51 0.08 0.00 -0.00 0.00 0.00 56.93 58.13 2j01 s PHE 61 Cb -0.06 0.41 -0.03 0.00 -0.00 0.00 0.00 43.02 43.33 2j01 s PHE 61 CO 0.39 -0.70 -0.21 0.95 -0.00 0.00 0.00 175.22 175.65 2j01 s THR 62 N -2.66 1.71 0.01 -4.49 -4.23 0.42 -0.75 115.64 105.63 2j01 s THR 62 Ca -0.04 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 2j01 s THR 62 Cb -0.00 -1.56 -0.01 0.00 1.34 0.00 0.00 72.50 72.27 2j01 s THR 62 CO -0.03 -0.07 -0.12 0.68 -0.54 0.00 0.00 174.62 174.54 2j01 s VAL 63 N -1.18 0.97 -0.10 2.29 -7.23 -0.97 -0.67 120.40 113.52 2j01 s VAL 63 Ca 0.06 -0.66 -0.00 0.00 -1.81 0.00 0.00 61.98 59.57 2j01 s VAL 63 Cb -0.10 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 36.03 2j01 s VAL 63 CO 0.04 0.18 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.35 2j01 s ARG 64 N -0.55 1.25 0.16 4.82 3.52 0.16 -0.90 118.95 127.42 2j01 s ARG 64 Ca 0.03 -0.15 0.04 0.00 -0.13 0.00 0.00 55.73 55.52 2j01 s ARG 64 Cb -0.06 -1.37 -0.05 0.00 -1.56 0.00 0.00 34.95 31.92 2j01 s ARG 64 CO 0.00 -0.25 -0.06 0.21 -0.81 0.00 0.00 175.30 174.38 2j01 s LYS 65 N 1.70 1.11 -0.64 5.12 2.47 0.47 -2.73 119.74 127.24 2j01 s LYS 65 Ca 0.03 -1.50 -0.16 0.00 -1.56 0.00 0.00 55.97 52.78 2j01 s LYS 65 Cb -0.13 -0.53 0.14 0.00 -1.46 0.00 0.00 37.83 35.85 2j01 s LYS 65 CO -0.06 -0.00 0.65 0.08 0.16 0.00 0.00 175.35 176.17 2j01 s VAL 66 N -3.42 5.18 -1.18 4.02 1.01 -1.26 0.17 120.40 124.92 2j01 s VAL 66 Ca 0.20 -1.60 -0.20 0.00 0.00 0.00 0.00 61.98 60.37 2j01 s VAL 66 Cb 0.04 -4.43 0.06 0.00 0.00 0.00 0.00 36.38 32.04 2j01 s VAL 66 CO 0.02 -1.01 1.64 -0.55 0.00 0.00 0.00 175.10 175.21 2j01 s SER 67 N 3.27 6.63 1.09 3.32 0.15 0.05 -4.74 113.70 123.47 2j01 s SER 67 Ca 0.10 -2.01 0.00 0.00 0.70 0.00 0.00 55.95 54.74 2j01 s SER 67 Cb -0.23 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2j01 s SER 67 CO 0.00 -1.38 0.00 -1.22 1.20 0.00 0.00 173.24 171.84 2j01 n TYR 68 N 8.86 0.00 -0.09 3.44 0.53 -1.26 -3.53 117.16 125.11 2j01 n TYR 68 Ca 0.43 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 57.16 2j01 n TYR 68 Cb 0.48 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.72 2j01 n TYR 68 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 2j01 h GLY 69 N 0.00 0.00 -4.98 2.72 0.00 -2.01 -3.46 103.07 95.33 2j01 h GLY 69 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2j01 h GLY 69 CO 0.00 0.00 0.97 0.14 0.00 0.00 0.00 176.54 177.65 2j01 s VAL 70 N -2.28 3.34 0.24 4.60 1.01 -1.23 -5.00 120.40 121.07 2j01 s VAL 70 Ca -0.22 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 2j01 s VAL 70 Cb 0.04 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 2j01 s VAL 70 CO 0.43 -0.01 0.94 -0.83 0.00 0.00 0.00 175.10 175.63 2j01 s GLY 71 N 2.45 3.10 0.05 4.51 0.00 -1.26 -0.77 107.32 115.40 2j01 s GLY 71 Ca 0.71 0.61 0.03 0.00 0.00 0.00 0.00 44.72 46.07 2j01 s GLY 71 CO 0.30 1.18 -0.09 0.14 0.00 0.00 0.00 173.10 174.63 2j01 s VAL 72 N -1.20 0.67 0.01 1.40 1.01 0.45 -4.86 120.40 117.88 2j01 s VAL 72 Ca 0.41 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2j01 s VAL 72 Cb -0.26 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 2j01 s VAL 72 CO 0.32 -0.37 -0.10 -1.83 0.00 0.00 0.00 175.10 173.12 2j01 s GLU 73 N -1.70 0.77 0.18 2.72 -1.05 -1.25 -0.39 118.70 117.98 2j01 s GLU 73 Ca -0.07 -0.51 0.09 0.00 -0.15 0.00 0.00 54.97 54.33 2j01 s GLU 73 Cb -0.09 -0.73 -0.04 0.00 -0.44 0.00 0.00 34.13 32.82 2j01 s GLU 73 CO 0.01 0.19 -0.08 1.03 0.95 0.00 0.00 175.26 177.36 2j01 s ARG 74 N -0.65 2.11 -0.28 -4.83 1.81 -0.08 -4.94 118.95 112.10 2j01 s ARG 74 Ca 0.01 -1.24 0.03 0.00 -1.72 0.00 0.00 55.73 52.81 2j01 s ARG 74 Cb -0.06 -2.19 0.07 0.00 -0.45 0.00 0.00 34.95 32.32 2j01 s ARG 74 CO 0.00 0.44 -0.07 0.42 -0.68 0.00 0.00 175.30 175.41 2j01 s ILE 75 N -1.71 2.16 -0.23 1.52 1.01 -1.26 -2.28 121.20 120.41 2j01 s ILE 75 Ca 0.25 -1.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.04 2j01 s ILE 75 Cb -0.09 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 2j01 s ILE 75 CO 0.16 -0.17 0.06 -0.36 0.00 0.00 0.00 174.94 174.62 2j01 s PHE 76 N 1.07 3.10 -0.52 3.97 2.99 0.07 -4.95 117.98 123.71 2j01 s PHE 76 Ca -0.04 -0.33 0.15 0.00 0.00 0.00 0.00 56.93 56.72 2j01 s PHE 76 Cb -0.20 -2.18 0.77 0.00 0.00 0.00 0.00 43.02 41.41 2j01 s PHE 76 CO -0.06 -0.24 1.47 -2.30 -0.00 0.00 0.00 175.22 174.08 2j01 n PRO 77 N 4.56 0.10 -1.27 0.24 -0.02 -1.26 -1.57 135.00 135.78 2j01 n PRO 77 Ca -0.16 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 61.77 2j01 n PRO 77 Cb 0.52 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.17 2j01 n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2j01 n LEU 78 N -1.99 -0.41 -3.72 2.45 0.00 -1.26 -4.23 117.00 107.84 2j01 n LEU 78 Ca -0.00 0.23 -0.12 0.00 0.00 0.00 0.00 56.01 56.12 2j01 n LEU 78 Cb 0.06 -2.06 -0.11 0.00 0.00 0.00 0.00 43.42 41.30 2j01 n LEU 78 CO 0.09 -0.74 -0.01 -1.00 0.00 0.00 0.00 177.39 175.73 2j01 s HIS 79 N -2.08 -0.46 0.00 1.96 3.76 -1.26 -4.93 115.29 112.27 2j01 s HIS 79 Ca 0.00 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.95 2j01 s HIS 79 Cb 0.00 0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.86 2j01 s HIS 79 CO 0.00 -0.27 0.00 0.45 -0.85 0.00 0.00 174.74 174.07 2j01 n SER 80 N 3.85 0.00 -4.51 1.40 2.88 -1.26 -4.90 113.62 111.08 2j01 n SER 80 Ca -0.21 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.20 2j01 n SER 80 Cb 0.55 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 2j01 n SER 80 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2j01 n PRO 81 N 0.00 0.29 -2.68 -1.46 -0.02 -1.26 -4.46 135.00 125.41 2j01 n PRO 81 Ca 0.00 -0.91 -0.05 0.00 -2.02 0.00 0.00 63.50 60.53 2j01 n PRO 81 Cb 0.00 -3.14 0.09 0.00 -0.02 0.00 0.00 33.50 30.43 2j01 n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2j01 n LEU 82 N 15.97 -1.55 -0.08 2.45 4.32 -1.26 -4.42 117.00 132.45 2j01 n LEU 82 Ca 0.44 -2.21 0.03 0.00 -0.02 0.00 0.00 56.01 54.25 2j01 n LEU 82 Cb 0.41 0.83 0.06 0.00 -1.62 0.00 0.00 43.42 43.10 2j01 n LEU 82 CO 0.63 1.69 0.18 2.30 -1.22 0.00 0.00 177.39 180.97 2j01 n ILE 83 N 0.90 -0.09 -2.62 -0.08 -5.35 -1.26 -4.43 119.36 106.42 2j01 n ILE 83 Ca -0.01 0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.97 2j01 n ILE 83 Cb 0.72 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2j01 n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2j01 n GLN 84 N -4.09 0.27 -1.63 6.28 10.64 -1.26 -5.09 117.38 122.49 2j01 n GLN 84 Ca 0.05 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.22 2j01 n GLN 84 Cb 0.17 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.57 2j01 n GLN 84 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2j01 n LYS 85 N 0.00 0.22 -1.57 2.61 4.81 -1.26 -4.50 118.16 118.47 2j01 n LYS 85 Ca 0.00 -0.20 -0.46 0.00 -0.87 0.00 0.00 58.31 56.78 2j01 n LYS 85 Cb 0.00 0.10 -0.03 0.00 0.02 0.00 0.00 35.03 35.12 2j01 n LYS 85 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2j01 n ILE 86 N -0.25 1.63 -3.96 3.15 3.06 -1.26 -4.68 119.36 117.06 2j01 n ILE 86 Ca -0.03 -0.41 -0.32 0.00 -2.50 0.00 0.00 62.75 59.49 2j01 n ILE 86 Cb 0.55 -0.84 -0.05 0.00 0.54 0.00 0.00 39.64 39.84 2j01 n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2j01 s ASP 87 N -0.42 6.15 0.00 9.51 -4.77 -1.26 -2.40 116.67 123.48 2j01 s ASP 87 Ca 0.64 0.24 0.00 0.00 -3.30 0.00 0.00 52.55 50.13 2j01 s ASP 87 Cb -0.78 -1.86 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 2j01 s ASP 87 CO 0.57 0.21 0.00 -0.38 0.70 0.00 0.00 175.17 176.27 2j01 n ILE 88 N 0.64 0.00 -4.18 2.11 5.41 -1.10 -4.90 119.36 117.34 2j01 n ILE 88 Ca -0.08 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.32 2j01 n ILE 88 Cb 0.52 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.32 2j01 n ILE 88 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2j01 s VAL 89 N 0.81 3.81 -0.18 1.39 1.01 -1.18 -5.01 120.40 121.04 2j01 s VAL 89 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 2j01 s VAL 89 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2j01 s VAL 89 CO 0.00 0.45 0.57 -1.10 0.00 0.00 0.00 175.10 175.02 2j01 s GLN 90 N 0.85 4.23 0.00 2.72 -0.21 -1.26 -3.72 119.66 122.26 2j01 s GLN 90 Ca -0.00 0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.90 2j01 s GLN 90 Cb -0.14 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.31 2j01 s GLN 90 CO 0.02 -0.15 0.00 0.54 -2.12 0.00 0.00 175.29 173.58 2j01 n ARG 91 N 4.74 0.00 0.00 2.91 1.74 -1.26 -3.73 116.66 121.06 2j01 n ARG 91 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2j01 n ARG 91 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 2j01 n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j01 n GLY 92 N 0.00 0.78 4.87 -0.13 0.00 -1.20 -4.29 105.19 105.23 2j01 n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2j01 n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2j01 n ARG 93 N -0.03 0.00 -3.06 1.61 0.63 -1.26 -4.06 116.66 110.49 2j01 n ARG 93 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 2j01 n ARG 93 Cb 0.00 -0.06 0.01 0.00 0.45 0.00 0.00 32.46 32.85 2j01 n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2j01 n ALA 94 N 0.00 -2.59 0.77 5.13 0.00 -1.26 -4.77 120.51 117.79 2j01 n ALA 94 Ca 0.00 0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.80 2j01 n ALA 94 Cb 0.00 -1.17 0.35 0.00 0.00 0.00 0.00 19.45 18.63 2j01 n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2j01 n ARG 95 N 0.78 0.38 -3.90 0.00 5.12 -1.26 -4.76 116.66 113.02 2j01 n ARG 95 Ca -0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.83 2j01 n ARG 95 Cb 0.37 -1.48 -0.08 0.00 -1.16 0.00 0.00 32.46 30.10 2j01 n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2j01 s ARG 96 N -2.00 0.80 0.00 5.56 1.70 -1.26 -5.14 118.95 118.61 2j01 s ARG 96 Ca 0.18 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.43 2j01 s ARG 96 Cb 0.08 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 2j01 s ARG 96 CO 0.14 -0.24 0.00 0.00 -1.08 0.00 0.00 175.30 174.12 2j01 n ALA 97 N -0.02 0.00 -1.83 7.88 0.00 -1.26 -4.64 120.51 120.64 2j01 n ALA 97 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 2j01 n ALA 97 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 2j01 n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2j01 s LYS 98 N 0.00 4.17 -0.52 0.00 3.01 -1.26 -4.85 119.74 120.29 2j01 s LYS 98 Ca 0.00 2.48 0.07 0.00 -1.01 0.00 0.00 55.97 57.51 2j01 s LYS 98 Cb 0.00 -3.25 0.27 0.00 -1.01 0.00 0.00 37.83 33.84 2j01 s LYS 98 CO 0.00 -0.71 0.69 1.47 0.51 0.00 0.00 175.35 177.31 2j01 n LEU 99 N 4.45 2.28 0.00 3.17 -0.00 -0.66 -4.86 117.00 121.37 2j01 n LEU 99 Ca 0.15 -5.16 0.14 0.00 -0.00 0.00 0.00 56.01 51.15 2j01 n LEU 99 Cb 0.37 -0.05 0.77 0.00 -0.00 0.00 0.00 43.42 44.51 2j01 n LEU 99 CO 0.63 2.12 1.01 -1.22 -0.00 0.00 0.00 177.39 179.93 2j01 n TYR 100 N 0.87 0.00 0.00 1.47 4.02 -1.26 -3.80 117.16 118.46 2j01 n TYR 100 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 2j01 n TYR 100 Cb 0.47 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 2j01 n TYR 100 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 2j01 n PHE 101 N -1.18 0.00 -0.04 -0.72 -1.74 -1.26 -0.77 117.46 111.75 2j01 n PHE 101 Ca 0.17 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 57.04 2j01 n PHE 101 Cb 0.18 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.04 2j01 n PHE 101 CO 0.00 0.00 0.00 0.44 -0.56 0.00 0.00 176.76 176.64 2j01 n ILE 102 N -0.88 0.94 0.00 1.97 -5.35 -1.25 -4.35 119.36 110.44 2j01 n ILE 102 Ca 0.00 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.77 2j01 n ILE 102 Cb 0.00 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 2j01 n ILE 102 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2j01 n ARG 103 N -2.65 0.00 -0.26 6.28 1.74 0.05 -2.67 116.66 119.14 2j01 n ARG 103 Ca -0.18 0.15 0.14 0.00 -0.77 0.00 0.00 57.85 57.19 2j01 n ARG 103 Cb 0.90 -0.76 0.28 0.00 -1.02 0.00 0.00 32.46 31.86 2j01 n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2j01 n ASN 104 N -0.41 -0.02 -3.93 0.55 3.02 -1.26 -3.30 115.26 109.92 2j01 n ASN 104 Ca 0.00 1.31 -0.30 0.00 -0.03 0.00 0.00 54.58 55.56 2j01 n ASN 104 Cb 0.00 -0.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.52 2j01 n ASN 104 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2j01 s LEU 105 N -10.04 4.11 0.08 3.41 1.43 -1.09 -5.09 118.68 111.49 2j01 s LEU 105 Ca -0.09 -2.71 0.06 0.00 -1.03 0.00 0.00 54.13 50.35 2j01 s LEU 105 Cb 0.24 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2j01 s LEU 105 CO 0.61 -0.28 -0.06 -0.94 0.23 0.00 0.00 176.35 175.91 2j01 s SER 106 N 0.14 4.66 0.00 2.29 1.04 -1.10 -4.63 113.70 116.10 2j01 s SER 106 Ca 0.15 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2j01 s SER 106 Cb -0.24 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 64.87 2j01 s SER 106 CO -0.03 0.20 0.00 -0.90 0.98 0.00 0.00 173.24 173.49 2j01 n ASP 107 N 0.83 0.00 0.14 7.02 5.75 -1.26 -4.90 116.55 124.13 2j01 n ASP 107 Ca -0.13 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.74 2j01 n ASP 107 Cb 0.52 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.66 2j01 n ASP 107 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2j01 h ARG 108 N 0.00 0.00 -0.76 0.11 0.11 -2.00 -3.23 114.38 108.61 2j01 h ARG 108 Ca 0.00 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.11 2j01 h ARG 108 Cb 0.00 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.04 2j01 h ARG 108 CO 0.00 0.11 0.50 0.93 0.10 0.00 0.00 179.97 181.61 2j01 h GLU 109 N 0.00 0.91 -0.70 0.08 5.08 -1.93 -1.18 114.58 116.84 2j01 h GLU 109 Ca -0.02 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2j01 h GLU 109 Cb 1.14 -0.21 -0.08 0.00 0.50 0.00 0.00 28.75 30.10 2j01 h GLU 109 CO 0.02 0.61 0.31 0.82 -1.00 0.00 0.00 179.01 179.76 2j01 h ILE 110 N 0.94 0.76 -0.04 3.13 2.04 -1.85 0.15 117.51 122.65 2j01 h ILE 110 Ca 0.30 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.98 2j01 h ILE 110 Cb 0.02 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2j01 h ILE 110 CO -0.08 0.09 0.00 -2.11 0.00 0.00 0.00 178.15 176.05 2j01 n ARG 111 N -4.94 1.18 -0.05 2.37 1.85 -0.47 0.02 116.66 116.62 2j01 n ARG 111 Ca 0.12 -0.27 0.01 0.00 -1.00 0.00 0.00 57.85 56.70 2j01 n ARG 111 Cb 0.32 -1.32 -0.16 0.00 -1.05 0.00 0.00 32.46 30.25 2j01 n ARG 111 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2j01 n ARG 112 N -0.51 0.73 0.05 2.89 -4.01 0.32 -4.18 116.66 111.95 2j01 n ARG 112 Ca 0.15 -0.10 -0.19 0.00 -1.04 0.00 0.00 57.85 56.67 2j01 n ARG 112 Cb 0.13 -1.50 -0.14 0.00 -3.04 0.00 0.00 32.46 27.91 2j01 n ARG 112 CO 0.00 0.00 0.00 0.87 -3.04 0.00 0.00 177.63 175.46 2j01 h LYS 113 N 0.00 0.28 -2.81 2.89 1.57 -0.57 -3.39 116.57 114.54 2j01 h LYS 113 Ca -0.26 -0.48 -0.76 0.00 -1.87 0.00 0.00 60.65 57.29 2j01 h LYS 113 Cb 1.56 0.18 -0.31 0.00 0.08 0.00 0.00 32.23 33.74 2j01 h LYS 113 CO 0.01 1.15 0.43 1.28 -0.57 0.00 0.00 179.45 181.75 2j01 n LEU 114 N -3.47 5.71 0.00 2.94 4.77 0.10 -4.67 117.00 122.38 2j01 n LEU 114 Ca -0.20 -5.26 0.00 0.00 -0.03 0.00 0.00 56.01 50.52 2j01 n LEU 114 Cb 1.05 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2j01 n LEU 114 CO 0.50 1.75 0.00 0.54 -1.33 0.00 0.00 177.39 178.85 2j01 n ARG 115 N 1.32 0.00 -3.63 3.23 5.12 -1.26 -3.87 116.66 117.57 2j01 n ARG 115 Ca 0.27 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 56.15 2j01 n ARG 115 Cb 0.35 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.59 2j01 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2j01 s ALA 116 N -2.74 -2.15 -1.07 7.54 0.00 -1.26 -3.20 121.76 118.88 2j01 s ALA 116 Ca 0.00 2.28 -0.21 0.00 0.00 0.00 0.00 51.96 54.03 2j01 s ALA 116 Cb 0.00 -1.63 0.07 0.00 0.00 0.00 0.00 23.12 21.56 2j01 s ALA 116 CO 0.00 -0.41 1.45 0.34 0.00 0.00 0.00 175.76 177.14 2j01 s ASP 117 N 1.56 6.61 0.10 0.00 -1.08 -1.24 -4.79 116.67 117.82 2j01 s ASP 117 Ca -0.09 -1.81 -0.32 0.00 -0.52 0.00 0.00 52.55 49.81 2j01 s ASP 117 Cb -0.05 -2.53 -0.13 0.00 -1.46 0.00 0.00 42.92 38.75 2j01 s ASP 117 CO -0.17 -1.33 1.51 0.03 0.52 0.00 0.00 175.17 175.73 2j01 h ARG 118 N 9.09 -0.67 -0.31 4.34 3.08 -1.98 0.22 114.38 128.16 2j01 h ARG 118 Ca 0.24 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.40 2j01 h ARG 118 Cb 0.98 0.15 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 2j01 h ARG 118 CO 1.37 -0.45 -0.09 1.17 -1.07 0.00 0.00 179.97 180.90 2j01 n LYS 119 N -5.22 -0.04 0.07 0.04 4.81 -1.26 0.32 118.16 116.87 2j01 n LYS 119 Ca -0.08 0.48 0.07 0.00 -0.87 0.00 0.00 58.31 57.91 2j01 n LYS 119 Cb 0.38 -0.71 -0.04 0.00 0.02 0.00 0.00 35.03 34.68 2j01 n LYS 119 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2j01 n ARG 120 N -4.48 0.61 0.10 1.64 1.74 -0.95 -3.22 116.66 112.10 2j01 n ARG 120 Ca 0.04 0.14 -0.13 0.00 -0.77 0.00 0.00 57.85 57.13 2j01 n ARG 120 Cb 0.14 -1.80 -0.08 0.00 -1.02 0.00 0.00 32.46 29.70 2j01 n ARG 120 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2j01 h ILE 121 N 0.00 0.90 0.15 0.55 -0.00 0.84 -3.25 117.51 116.70 2j01 h ILE 121 Ca -0.06 -0.11 -0.01 0.00 -0.00 0.00 0.00 64.86 64.68 2j01 h ILE 121 Cb 1.22 0.97 0.00 0.00 -0.00 0.00 0.00 36.82 39.01 2j01 h ILE 121 CO 0.02 0.03 -0.07 0.44 -0.00 0.00 0.00 178.15 178.56 2j01 h ASP 122 N -0.22 -0.17 0.00 2.19 3.32 -1.08 -3.07 116.42 117.39 2j01 h ASP 122 Ca -0.02 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2j01 h ASP 122 Cb 0.18 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2j01 h ASP 122 CO 0.03 0.10 0.35 0.00 -1.72 0.00 0.00 179.24 178.00 2j01 n GLN 123 N -5.07 0.07 -0.07 3.56 10.64 -1.20 0.11 117.38 125.43 2j01 n GLN 123 Ca -0.09 0.51 -0.15 0.00 -1.83 0.00 0.00 57.00 55.44 2j01 n GLN 123 Cb 0.19 -2.06 -0.14 0.00 -0.86 0.00 0.00 30.24 27.37 2j01 n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2j01 n ASP 124 N -1.90 1.34 0.19 2.61 9.92 -1.17 -3.21 116.55 124.33 2j01 n ASP 124 Ca -0.01 0.10 0.05 0.00 -0.53 0.00 0.00 54.79 54.40 2j01 n ASP 124 Cb 0.36 -0.14 0.35 0.00 -0.64 0.00 0.00 41.12 41.05 2j01 n ASP 124 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2j01 h ARG 125 N 0.02 0.00 -0.11 -1.24 2.47 0.79 -0.83 114.38 115.48 2j01 h ARG 125 Ca -0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 2j01 h ARG 125 Cb 2.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.36 2j01 h ARG 125 CO 0.02 0.38 0.00 0.00 0.56 0.00 0.00 179.97 180.93 2j01 n ALA 126 N -2.31 2.55 -0.65 0.04 0.00 0.20 -3.51 120.51 116.83 2j01 n ALA 126 Ca -0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 53.44 52.83 2j01 n ALA 126 Cb 0.50 -1.16 0.10 0.00 0.00 0.00 0.00 19.45 18.89 2j01 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j01 n ALA 127 N 0.04 4.86 1.19 0.00 0.00 -0.32 -4.42 120.51 121.87 2j01 n ALA 127 Ca 0.16 -2.02 0.01 0.00 0.00 0.00 0.00 53.44 51.59 2j01 n ALA 127 Cb 0.28 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.39 2j01 n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2j01 n GLU 128 N -0.41 1.22 -1.36 0.00 -0.00 -1.23 -4.74 120.64 114.12 2j01 n GLU 128 Ca 0.40 -0.21 -0.30 0.00 -0.00 0.00 0.00 57.16 57.05 2j01 n GLU 128 Cb 1.05 -1.38 -0.10 0.00 -0.00 0.00 0.00 31.44 31.01 2j01 n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2j01 n ARG 129 N -0.09 0.65 -2.91 3.44 3.00 -1.26 -4.37 116.66 115.12 2j01 n ARG 129 Ca 0.02 -1.74 -0.18 0.00 -0.00 0.00 0.00 57.85 55.95 2j01 n ARG 129 Cb 0.23 -3.38 -0.01 0.00 0.00 0.00 0.00 32.46 29.30 2j01 n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2j01 n ALA 130 N 14.03 3.22 -1.77 5.13 0.00 -1.26 -5.11 120.51 134.75 2j01 n ALA 130 Ca 0.45 -3.64 -0.38 0.00 0.00 0.00 0.00 53.44 49.86 2j01 n ALA 130 Cb 0.45 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 2j01 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j01 s ALA 131 N -2.94 3.16 -0.24 0.00 0.00 -1.26 -4.98 121.76 115.51 2j01 s ALA 131 Ca 0.39 1.01 0.14 0.00 0.00 0.00 0.00 51.96 53.49 2j01 s ALA 131 Cb 0.38 -3.40 0.61 0.00 0.00 0.00 0.00 23.12 20.71 2j01 s ALA 131 CO -0.07 -0.58 1.55 1.63 0.00 0.00 0.00 175.76 178.29 2j01 n LYS 132 N 0.07 3.13 -0.00 0.00 5.02 -1.26 -4.68 118.16 120.44 2j01 n LYS 132 Ca 0.04 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.34 2j01 n LYS 132 Cb 0.46 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 2j01 n LYS 132 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2j01 n GLU 133 N -0.42 0.68 -3.11 1.97 2.13 -1.26 -4.75 120.64 115.88 2j01 n GLU 133 Ca 0.28 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.87 2j01 n GLU 133 Cb 1.06 -1.16 -0.00 0.00 0.27 0.00 0.00 31.44 31.61 2j01 n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2j01 s GLU 134 N 0.32 3.30 0.00 5.31 2.56 -1.26 -3.86 118.70 125.07 2j01 s GLU 134 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.97 54.63 2j01 s GLU 134 Cb 0.00 -2.58 0.00 0.00 2.00 0.00 0.00 34.13 33.55 2j01 s GLU 134 CO 0.00 -0.08 0.00 0.00 -0.56 0.00 0.00 175.26 174.62 2j01 n ALA 135 N -1.98 0.00 -0.25 6.30 0.00 -1.26 -4.64 120.51 118.68 2j01 n ALA 135 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2j01 n ALA 135 Cb 0.57 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2j01 n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2j01 n GLN 136 N -1.22 0.59 -2.84 0.00 -0.06 -1.25 -4.83 117.38 107.77 2j01 n GLN 136 Ca 0.00 -0.26 -0.11 0.00 -2.00 0.00 0.00 57.00 54.63 2j01 n GLN 136 Cb 0.17 -0.72 0.06 0.00 -4.06 0.00 0.00 30.24 25.69 2j01 n GLN 136 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2j01 n LYS 137 N -0.16 1.02 0.00 3.69 5.02 -1.25 -5.14 118.16 121.34 2j01 n LYS 137 Ca 0.00 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.00 2j01 n LYS 137 Cb 0.06 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2j01 n LYS 137 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88