#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 h THR 2 N 0.00 1.53 -1.51 0.00 2.02 -2.01 -3.49 112.91 109.45 1jj2 h THR 2 Ca 0.00 -2.76 0.06 0.00 0.77 0.00 0.00 66.41 64.48 1jj2 h THR 2 Cb 0.00 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1jj2 h THR 2 CO 0.00 0.80 0.17 0.61 0.37 0.00 0.00 175.52 177.47 1jj2 n GLY 3 N 0.96 0.76 0.26 2.16 0.00 -1.26 -5.01 105.19 103.06 1jj2 n GLY 3 Ca -0.03 -0.91 0.06 0.00 0.00 0.00 0.00 46.02 45.14 1jj2 n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jj2 h PRO 4 N 0.00 0.10 0.00 1.61 0.11 -2.07 -2.59 132.00 129.16 1jj2 h PRO 4 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1jj2 h PRO 4 Cb 0.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1jj2 h PRO 4 CO 0.07 0.12 -0.55 -2.13 -0.21 0.00 0.00 178.00 175.30 1jj2 n ARG 5 N -4.47 0.24 -1.75 1.05 0.63 -1.26 -4.93 116.66 106.17 1jj2 n ARG 5 Ca -0.02 0.08 -0.42 0.00 -0.92 0.00 0.00 57.85 56.58 1jj2 n ARG 5 Cb 0.13 -1.66 -0.01 0.00 0.45 0.00 0.00 32.46 31.36 1jj2 n ARG 5 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1jj2 n TYR 6 N -2.02 2.84 -3.66 -0.14 9.36 -0.98 -4.99 117.16 117.58 1jj2 n TYR 6 Ca 0.04 0.36 -0.39 0.00 3.32 0.00 0.00 57.90 61.23 1jj2 n TYR 6 Cb 0.42 -2.55 -0.12 0.00 -0.63 0.00 0.00 39.34 36.46 1jj2 n TYR 6 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1jj2 s LYS 7 N -1.23 3.20 -0.21 2.98 2.47 -1.26 -4.73 119.74 120.96 1jj2 s LYS 7 Ca 0.59 -0.81 -0.13 0.00 -1.56 0.00 0.00 55.97 54.06 1jj2 s LYS 7 Cb -0.50 -3.57 -0.05 0.00 -1.46 0.00 0.00 37.83 32.25 1jj2 s LYS 7 CO 0.56 -0.48 0.26 0.08 0.16 0.00 0.00 175.35 175.92 1jj2 s VAL 8 N 1.59 5.30 0.91 4.02 1.01 -1.26 -4.99 120.40 126.98 1jj2 s VAL 8 Ca 0.04 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.32 1jj2 s VAL 8 Cb -0.17 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.73 1jj2 s VAL 8 CO 0.06 0.33 0.99 -2.65 0.00 0.00 0.00 175.10 173.82 1jj2 n PRO 9 N 4.19 -0.35 -1.86 2.72 -0.02 -1.26 -4.93 135.00 133.48 1jj2 n PRO 9 Ca -0.12 -0.04 -0.38 0.00 -2.02 0.00 0.00 63.50 60.94 1jj2 n PRO 9 Cb 0.52 -2.27 0.04 0.00 -0.02 0.00 0.00 33.50 31.77 1jj2 n PRO 9 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1jj2 s MET 10 N -4.35 3.05 0.17 -0.52 -1.94 -1.26 -4.70 119.30 109.75 1jj2 s MET 10 Ca 0.65 2.08 -0.23 0.00 -1.71 0.00 0.00 55.69 56.49 1jj2 s MET 10 Cb -0.23 -2.13 0.07 0.00 2.01 0.00 0.00 34.83 34.55 1jj2 s MET 10 CO 0.59 -1.22 1.58 -0.09 -0.01 0.00 0.00 175.02 175.88 1jj2 h ARG 11 N 1.22 -0.22 0.00 2.03 2.43 -2.00 0.30 114.38 118.15 1jj2 h ARG 11 Ca -0.51 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1jj2 h ARG 11 Cb 1.30 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1jj2 h ARG 11 CO 0.56 -0.14 0.00 0.54 -1.51 0.00 0.00 179.97 179.42 1jj2 n ARG 12 N -5.42 0.06 -0.01 0.20 1.74 -1.26 -0.37 116.66 111.60 1jj2 n ARG 12 Ca 0.02 0.29 -0.15 0.00 -0.77 0.00 0.00 57.85 57.24 1jj2 n ARG 12 Cb 0.35 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.15 1jj2 n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1jj2 n ARG 13 N -1.38 0.70 0.01 5.56 3.00 0.95 -1.67 116.66 123.82 1jj2 n ARG 13 Ca 0.03 0.28 -0.12 0.00 -0.00 0.00 0.00 57.85 58.04 1jj2 n ARG 13 Cb 0.07 -1.75 -0.07 0.00 0.00 0.00 0.00 32.46 30.70 1jj2 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jj2 h ARG 14 N 0.04 0.06 0.00 -0.14 3.08 0.28 -2.14 114.38 115.56 1jj2 h ARG 14 Ca -0.36 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1jj2 h ARG 14 Cb 2.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.07 1jj2 h ARG 14 CO 0.09 0.22 0.00 0.39 -1.07 0.00 0.00 179.97 179.59 1jj2 n GLU 15 N -4.97 0.12 -3.72 0.04 1.02 -0.00 -4.83 120.64 108.30 1jj2 n GLU 15 Ca -0.07 0.20 -0.23 0.00 -0.02 0.00 0.00 57.16 57.04 1jj2 n GLU 15 Cb 0.11 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.08 1jj2 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jj2 n ALA 16 N -1.28 -1.76 -0.02 0.62 0.00 -0.81 -4.90 120.51 112.36 1jj2 n ALA 16 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 1jj2 n ALA 16 Cb 0.06 -2.95 -0.03 0.00 0.00 0.00 0.00 19.45 16.53 1jj2 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jj2 n ARG 17 N -4.43 2.37 -4.48 0.00 1.74 -0.80 -5.03 116.66 106.03 1jj2 n ARG 17 Ca -0.18 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.58 1jj2 n ARG 17 Cb 0.63 -1.10 -0.16 0.00 -1.02 0.00 0.00 32.46 30.81 1jj2 n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1jj2 s THR 18 N -2.09 2.11 -0.61 0.55 2.01 -0.67 -4.74 115.64 112.19 1jj2 s THR 18 Ca -0.03 -0.95 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 1jj2 s THR 18 Cb 0.01 -1.86 0.08 0.00 0.01 0.00 0.00 72.50 70.75 1jj2 s THR 18 CO 0.14 0.54 0.83 -0.62 -0.69 0.00 0.00 174.62 174.83 1jj2 s ASP 19 N 0.97 6.19 0.51 3.53 -1.08 -1.26 -4.53 116.67 121.00 1jj2 s ASP 19 Ca -0.03 -1.11 0.28 0.00 -0.52 0.00 0.00 52.55 51.17 1jj2 s ASP 19 Cb -0.15 -2.36 1.33 0.00 -1.46 0.00 0.00 42.92 40.28 1jj2 s ASP 19 CO -0.05 -1.25 2.00 1.88 0.52 0.00 0.00 175.17 178.26 1jj2 h TYR 20 N 9.35 0.00 -0.15 -5.34 -1.99 -1.97 -1.08 116.97 115.78 1jj2 h TYR 20 Ca -0.29 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.22 1jj2 h TYR 20 Cb 1.08 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.82 1jj2 h TYR 20 CO 0.89 0.13 -0.77 0.45 -0.00 0.00 0.00 178.16 178.86 1jj2 h HIS 21 N 0.00 1.04 -0.17 4.88 3.86 -2.01 -2.58 115.15 120.17 1jj2 h HIS 21 Ca -0.00 -0.46 -0.17 0.00 -1.16 0.00 0.00 60.37 58.58 1jj2 h HIS 21 Cb 0.48 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1jj2 h HIS 21 CO 0.00 1.28 -0.59 0.37 0.86 0.00 0.00 177.93 179.85 1jj2 h GLN 22 N 0.53 0.57 -0.05 2.45 4.15 -1.92 -3.06 115.11 117.77 1jj2 h GLN 22 Ca -0.05 -0.38 0.01 0.00 0.77 0.00 0.00 58.65 59.00 1jj2 h GLN 22 Cb 1.40 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.12 1jj2 h GLN 22 CO 0.16 1.00 -0.04 -0.09 -1.93 0.00 0.00 178.83 177.93 1jj2 h ARG 23 N 0.43 -0.04 -0.16 1.69 2.43 -1.18 0.02 114.38 117.57 1jj2 h ARG 23 Ca -0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1jj2 h ARG 23 Cb 1.15 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 1jj2 h ARG 23 CO 0.11 -0.03 -0.19 1.25 -1.51 0.00 0.00 179.97 179.61 1jj2 h LEU 24 N -0.04 -0.59 -1.09 3.80 5.85 -1.47 0.21 115.31 121.98 1jj2 h LEU 24 Ca 0.03 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.96 1jj2 h LEU 24 Cb 0.09 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 1jj2 h LEU 24 CO -0.08 -0.24 0.62 0.03 -0.34 0.00 0.00 178.44 178.43 1jj2 h ARG 25 N -0.22 0.97 -0.02 1.25 3.08 -1.39 -1.76 114.38 116.29 1jj2 h ARG 25 Ca 0.11 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1jj2 h ARG 25 Cb 0.38 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1jj2 h ARG 25 CO -0.29 0.64 0.01 -0.07 -1.07 0.00 0.00 179.97 179.19 1jj2 h LEU 26 N 1.00 0.03 -0.15 3.04 4.07 0.61 -2.68 115.31 121.23 1jj2 h LEU 26 Ca 0.45 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1jj2 h LEU 26 Cb 0.38 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1jj2 h LEU 26 CO -0.21 0.21 0.00 0.18 -1.08 0.00 0.00 178.44 177.54 1jj2 n LEU 27 N -4.98 0.08 -0.18 1.67 4.77 0.59 -2.83 117.00 116.12 1jj2 n LEU 27 Ca -0.07 0.53 -0.04 0.00 -0.03 0.00 0.00 56.01 56.40 1jj2 n LEU 27 Cb 0.12 -0.53 0.16 0.00 -2.33 0.00 0.00 43.42 40.83 1jj2 n LEU 27 CO 0.33 -0.45 1.01 0.11 -1.33 0.00 0.00 177.39 177.07 1jj2 h LYS 28 N 0.00 0.94 -0.16 3.23 1.79 -1.01 -2.51 116.57 118.85 1jj2 h LYS 28 Ca 0.00 -0.18 0.05 0.00 -2.18 0.00 0.00 60.65 58.33 1jj2 h LYS 28 Cb 0.12 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1jj2 h LYS 28 CO 0.00 0.81 0.16 0.66 -1.08 0.00 0.00 179.45 180.00 1jj2 h SER 29 N 0.91 0.00 0.00 0.86 4.64 -1.69 -3.45 113.55 114.83 1jj2 h SER 29 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1jj2 h SER 29 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1jj2 h SER 29 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1jj2 n GLY 30 N -1.41 0.32 3.91 -0.77 0.00 -0.95 -4.99 105.19 101.30 1jj2 n GLY 30 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1jj2 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jj2 s LYS 31 N -0.81 3.13 0.64 1.61 1.02 -1.26 -5.09 119.74 118.98 1jj2 s LYS 31 Ca 0.00 -0.96 -0.16 0.00 0.02 0.00 0.00 55.97 54.87 1jj2 s LYS 31 Cb 0.00 -2.72 -0.01 0.00 -0.52 0.00 0.00 37.83 34.58 1jj2 s LYS 31 CO 0.00 0.32 1.14 -2.14 -0.92 0.00 0.00 175.35 173.75 1jj2 s PRO 32 N -3.96 2.82 -0.11 -1.68 0.02 -1.25 -4.75 135.00 126.08 1jj2 s PRO 32 Ca 0.36 1.52 -0.10 0.00 0.02 0.00 0.00 61.00 62.81 1jj2 s PRO 32 Cb -0.08 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 1jj2 s PRO 32 CO 0.28 -1.25 0.20 1.03 -0.33 0.00 0.00 177.00 176.92 1jj2 s ARG 33 N -3.84 3.72 -0.69 5.54 0.52 0.08 -1.16 118.95 123.13 1jj2 s ARG 33 Ca 0.70 -0.02 -0.17 0.00 -0.52 0.00 0.00 55.73 55.72 1jj2 s ARG 33 Cb -0.23 -3.25 0.15 0.00 0.52 0.00 0.00 34.95 32.13 1jj2 s ARG 33 CO 0.38 0.64 0.72 -1.17 0.02 0.00 0.00 175.30 175.89 1jj2 s LEU 34 N -0.68 5.96 -0.55 2.53 2.96 0.29 -0.53 118.68 128.67 1jj2 s LEU 34 Ca 0.16 -1.97 -0.28 0.00 -0.22 0.00 0.00 54.13 51.82 1jj2 s LEU 34 Cb -0.13 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.33 1jj2 s LEU 34 CO 0.05 -0.88 1.22 -0.69 -1.32 0.00 0.00 176.35 174.72 1jj2 s VAL 35 N 1.67 4.02 -0.33 1.68 1.01 0.17 -1.15 120.40 127.47 1jj2 s VAL 35 Ca 0.14 0.95 -0.14 0.00 0.00 0.00 0.00 61.98 62.93 1jj2 s VAL 35 Cb -0.19 -4.64 -0.02 0.00 0.00 0.00 0.00 36.38 31.52 1jj2 s VAL 35 CO -0.01 -1.22 0.29 0.00 0.00 0.00 0.00 175.10 174.16 1jj2 s ALA 36 N 5.01 3.51 0.06 5.51 0.00 -0.27 -1.88 121.76 133.70 1jj2 s ALA 36 Ca 0.46 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1jj2 s ALA 36 Cb -0.08 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1jj2 s ALA 36 CO 0.27 -0.97 -0.13 1.03 0.00 0.00 0.00 175.76 175.96 1jj2 s ARG 37 N 1.86 0.81 0.28 0.00 1.81 -0.39 -4.48 118.95 118.84 1jj2 s ARG 37 Ca 0.09 -0.89 0.08 0.00 -1.72 0.00 0.00 55.73 53.29 1jj2 s ARG 37 Cb -0.17 -0.80 -0.06 0.00 -0.45 0.00 0.00 34.95 33.48 1jj2 s ARG 37 CO 0.11 0.18 -0.09 0.15 -0.68 0.00 0.00 175.30 174.97 1jj2 s LYS 38 N -1.58 1.59 0.17 3.54 1.02 -1.26 -0.21 119.74 123.01 1jj2 s LYS 38 Ca -0.02 -1.79 -0.01 0.00 0.02 0.00 0.00 55.97 54.17 1jj2 s LYS 38 Cb -0.09 -1.33 -0.04 0.00 -0.52 0.00 0.00 37.83 35.85 1jj2 s LYS 38 CO 0.02 0.11 0.09 0.45 -0.92 0.00 0.00 175.35 175.10 1jj2 s SER 39 N -3.47 0.28 0.36 2.83 0.15 0.14 -4.94 113.70 109.04 1jj2 s SER 39 Ca 0.29 -1.31 0.04 0.00 0.70 0.00 0.00 55.95 55.67 1jj2 s SER 39 Cb 0.02 0.33 0.69 0.00 -1.71 0.00 0.00 66.02 65.35 1jj2 s SER 39 CO 0.13 -0.78 1.99 0.78 1.20 0.00 0.00 173.24 176.55 1jj2 h ASN 40 N 2.72 0.69 0.00 5.45 2.35 -2.00 -3.24 115.58 121.55 1jj2 h ASN 40 Ca -0.36 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.33 1jj2 h ASN 40 Cb 1.23 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 1jj2 h ASN 40 CO 0.56 0.48 -1.63 0.29 -1.65 0.00 0.00 177.43 175.48 1jj2 n LYS 41 N -4.46 0.79 -4.50 0.81 5.02 -1.26 -4.77 118.16 109.79 1jj2 n LYS 41 Ca 0.08 -0.09 -0.24 0.00 -2.02 0.00 0.00 58.31 56.04 1jj2 n LYS 41 Cb 0.13 -1.30 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 1jj2 n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1jj2 s HIS 42 N -2.73 1.83 -0.05 2.13 3.76 -1.22 -2.42 115.29 116.59 1jj2 s HIS 42 Ca -0.05 -1.17 -0.01 0.00 -0.15 0.00 0.00 55.06 53.68 1jj2 s HIS 42 Cb 0.07 -1.21 0.03 0.00 1.11 0.00 0.00 32.58 32.58 1jj2 s HIS 42 CO 0.51 -0.18 0.03 0.08 -0.85 0.00 0.00 174.74 174.33 1jj2 s VAL 43 N -3.24 0.09 0.03 -0.90 1.01 -1.26 0.25 120.40 116.39 1jj2 s VAL 43 Ca 0.27 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.55 1jj2 s VAL 43 Cb 0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1jj2 s VAL 43 CO 0.14 0.19 -0.07 -0.60 0.00 0.00 0.00 175.10 174.76 1jj2 s ARG 44 N 1.81 2.46 -0.04 2.72 3.52 0.70 -1.32 118.95 128.80 1jj2 s ARG 44 Ca 0.01 -0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 54.80 1jj2 s ARG 44 Cb -0.12 -2.46 0.03 0.00 -1.56 0.00 0.00 34.95 30.84 1jj2 s ARG 44 CO -0.03 0.58 0.04 0.00 -0.81 0.00 0.00 175.30 175.07 1jj2 s ALA 45 N -1.07 0.29 0.05 6.12 0.00 -0.49 -1.26 121.76 125.40 1jj2 s ALA 45 Ca 0.19 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.35 1jj2 s ALA 45 Cb -0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1jj2 s ALA 45 CO 0.10 -0.39 -0.14 -0.65 0.00 0.00 0.00 175.76 174.67 1jj2 s GLN 46 N 1.88 0.92 -0.41 0.00 -0.21 -0.79 -0.73 119.66 120.32 1jj2 s GLN 46 Ca 0.02 -0.83 -0.07 0.00 0.02 0.00 0.00 55.36 54.49 1jj2 s GLN 46 Cb -0.12 -0.94 0.08 0.00 1.00 0.00 0.00 33.01 33.03 1jj2 s GLN 46 CO -0.03 0.23 0.24 -0.51 -2.12 0.00 0.00 175.29 173.09 1jj2 s LEU 47 N -1.32 5.11 -0.10 2.90 1.43 0.13 0.46 118.68 127.29 1jj2 s LEU 47 Ca 0.01 -1.61 -0.03 0.00 -1.03 0.00 0.00 54.13 51.47 1jj2 s LEU 47 Cb -0.09 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 1jj2 s LEU 47 CO 0.02 -0.53 0.03 -0.69 0.23 0.00 0.00 176.35 175.40 1jj2 s VAL 48 N 1.36 4.53 0.33 -1.59 1.01 0.31 -1.38 120.40 124.98 1jj2 s VAL 48 Ca 0.03 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 61.94 1jj2 s VAL 48 Cb -0.23 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1jj2 s VAL 48 CO 0.01 0.60 0.02 0.28 0.00 0.00 0.00 175.10 176.01 1jj2 s THR 49 N -0.82 2.73 0.25 3.92 -1.32 0.11 -0.74 115.64 119.76 1jj2 s THR 49 Ca 0.13 -1.94 -0.23 0.00 -1.21 0.00 0.00 61.69 58.43 1jj2 s THR 49 Cb -0.12 -2.81 -0.09 0.00 -1.51 0.00 0.00 72.50 67.97 1jj2 s THR 49 CO 0.02 -0.21 0.81 -0.22 -2.21 0.00 0.00 174.62 172.82 1jj2 s LEU 50 N -3.73 4.40 0.17 9.08 2.96 -1.26 -0.38 118.68 129.92 1jj2 s LEU 50 Ca 0.35 1.62 0.02 0.00 -0.22 0.00 0.00 54.13 55.89 1jj2 s LEU 50 Cb -0.01 -3.68 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1jj2 s LEU 50 CO 0.20 0.03 0.00 -0.83 -1.32 0.00 0.00 176.35 174.43 1jj2 s GLY 51 N -1.54 1.21 0.42 7.98 0.00 -0.98 -4.71 107.32 109.70 1jj2 s GLY 51 Ca 0.44 -1.59 0.09 0.00 0.00 0.00 0.00 44.72 43.66 1jj2 s GLY 51 CO 0.23 -1.53 2.02 -2.55 0.00 0.00 0.00 173.10 171.28 1jj2 h PRO 52 N 2.70 0.36 0.00 2.90 0.11 -1.98 -3.04 132.00 133.06 1jj2 h PRO 52 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1jj2 h PRO 52 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jj2 h PRO 52 CO 0.63 0.31 -0.01 0.09 -0.21 0.00 0.00 178.00 178.81 1jj2 n ASN 53 N -4.42 2.05 0.00 -2.05 3.02 -1.26 -5.09 115.26 107.51 1jj2 n ASN 53 Ca 0.01 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.11 1jj2 n ASN 53 Cb 0.13 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1jj2 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jj2 n GLY 54 N -0.89 3.00 3.68 7.41 0.00 -1.15 -5.12 105.19 112.13 1jj2 n GLY 54 Ca 0.07 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 1jj2 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jj2 n ASP 55 N 0.00 1.01 -4.09 1.61 8.00 -1.26 -2.32 116.55 119.49 1jj2 n ASP 55 Ca 0.00 0.62 -0.31 0.00 0.71 0.00 0.00 54.79 55.81 1jj2 n ASP 55 Cb 0.00 -1.50 -0.16 0.00 -0.02 0.00 0.00 41.12 39.44 1jj2 n ASP 55 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1jj2 s ASP 56 N -1.98 2.81 -0.26 -2.24 1.01 0.49 -4.79 116.67 111.70 1jj2 s ASP 56 Ca 0.74 -0.53 -0.17 0.00 0.71 0.00 0.00 52.55 53.30 1jj2 s ASP 56 Cb -0.31 -1.28 -0.03 0.00 1.01 0.00 0.00 42.92 42.31 1jj2 s ASP 56 CO 0.50 0.02 0.47 -0.89 0.21 0.00 0.00 175.17 175.48 1jj2 s THR 57 N 1.10 5.10 -0.69 -1.27 2.01 -1.26 0.04 115.64 120.67 1jj2 s THR 57 Ca -0.02 0.79 0.23 0.00 0.31 0.00 0.00 61.69 63.00 1jj2 s THR 57 Cb -0.14 -3.79 -0.12 0.00 0.01 0.00 0.00 72.50 68.46 1jj2 s THR 57 CO -0.06 0.11 1.04 0.18 -0.69 0.00 0.00 174.62 175.20 1jj2 n LEU 58 N 5.45 0.63 -3.60 4.42 4.32 -0.48 -4.96 117.00 122.78 1jj2 n LEU 58 Ca -0.05 -0.08 -0.10 0.00 -0.02 0.00 0.00 56.01 55.76 1jj2 n LEU 58 Cb 0.50 -0.10 -0.06 0.00 -1.62 0.00 0.00 43.42 42.15 1jj2 n LEU 58 CO 0.39 0.08 0.80 0.00 -1.22 0.00 0.00 177.39 177.44 1jj2 s ALA 59 N -3.16 -1.96 0.23 -1.18 0.00 -1.24 -4.88 121.76 109.56 1jj2 s ALA 59 Ca 0.05 1.68 -0.19 0.00 0.00 0.00 0.00 51.96 53.50 1jj2 s ALA 59 Cb 0.15 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.31 1jj2 s ALA 59 CO 0.80 -0.28 0.61 -1.54 0.00 0.00 0.00 175.76 175.35 1jj2 s SER 60 N -0.70 -0.28 -0.18 0.00 1.04 -1.26 -0.69 113.70 111.63 1jj2 s SER 60 Ca 0.00 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 55.76 1jj2 s SER 60 Cb -0.02 0.64 0.05 0.00 0.10 0.00 0.00 66.02 66.79 1jj2 s SER 60 CO -0.02 -1.17 0.47 0.00 0.98 0.00 0.00 173.24 173.50 1jj2 s ALA 61 N -3.89 -1.16 0.05 5.32 0.00 0.09 -4.61 121.76 117.55 1jj2 s ALA 61 Ca 0.11 1.38 0.09 0.00 0.00 0.00 0.00 51.96 53.54 1jj2 s ALA 61 Cb -0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1jj2 s ALA 61 CO 0.01 -0.23 -0.23 -1.58 0.00 0.00 0.00 175.76 173.73 1jj2 s HIS 62 N 0.46 2.41 0.52 0.00 2.46 -1.26 -1.40 115.29 118.48 1jj2 s HIS 62 Ca -0.02 -0.35 0.41 0.00 0.47 0.00 0.00 55.06 55.57 1jj2 s HIS 62 Cb -0.04 -1.41 2.14 0.00 -0.13 0.00 0.00 32.58 33.13 1jj2 s HIS 62 CO -0.02 0.18 2.27 0.66 -2.47 0.00 0.00 174.74 175.36 1jj2 h SER 63 N 4.65 0.00 0.20 9.88 4.64 -1.55 -2.89 113.55 128.49 1jj2 h SER 63 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1jj2 h SER 63 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1jj2 h SER 63 CO 0.45 0.00 -0.10 0.77 -0.87 0.00 0.00 176.83 177.08 1jj2 h SER 64 N 0.00 -0.23 0.00 4.97 4.64 -1.92 -2.95 113.55 118.06 1jj2 h SER 64 Ca -0.00 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1jj2 h SER 64 Cb 0.14 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1jj2 h SER 64 CO 0.00 0.25 0.00 -0.90 -0.87 0.00 0.00 176.83 175.31 1jj2 n ASP 65 N -4.99 0.73 0.07 4.97 5.75 -1.09 -2.08 116.55 119.90 1jj2 n ASP 65 Ca -0.08 -0.86 -0.21 0.00 -0.01 0.00 0.00 54.79 53.62 1jj2 n ASP 65 Cb 0.26 -0.22 -0.15 0.00 -1.03 0.00 0.00 41.12 39.99 1jj2 n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1jj2 h LEU 66 N 0.91 0.54 -1.71 -2.12 5.85 -1.59 -3.29 115.31 113.91 1jj2 h LEU 66 Ca 0.00 -0.81 0.09 0.00 0.84 0.00 0.00 57.88 58.00 1jj2 h LEU 66 Cb 0.29 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1jj2 h LEU 66 CO 0.00 1.69 0.36 0.00 -0.34 0.00 0.00 178.44 180.15 1jj2 h ALA 67 N 0.23 2.05 0.00 1.25 0.00 -1.60 0.66 119.26 121.84 1jj2 h ALA 67 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jj2 h ALA 67 Cb 2.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1jj2 h ALA 67 CO 0.17 -0.17 0.24 -1.91 0.00 0.00 0.00 179.25 177.58 1jj2 n GLU 68 N -4.46 0.05 -0.02 0.00 2.13 -1.24 0.51 120.64 117.60 1jj2 n GLU 68 Ca 0.08 0.45 0.02 0.00 0.66 0.00 0.00 57.16 58.37 1jj2 n GLU 68 Cb 0.35 -1.89 0.03 0.00 0.27 0.00 0.00 31.44 30.20 1jj2 n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jj2 n TYR 69 N -1.70 0.06 0.00 4.31 4.02 0.22 -4.97 117.16 119.09 1jj2 n TYR 69 Ca -0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 1jj2 n TYR 69 Cb 0.25 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1jj2 n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jj2 n GLY 70 N 0.02 1.79 3.68 2.72 0.00 0.18 -5.00 105.19 108.58 1jj2 n GLY 70 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1jj2 n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1jj2 s TRP 71 N -2.00 3.43 -0.08 1.61 -0.11 -1.17 -4.91 118.94 115.71 1jj2 s TRP 71 Ca 0.00 1.10 0.11 0.00 1.22 0.00 0.00 56.10 58.53 1jj2 s TRP 71 Cb 0.00 -2.87 0.17 0.00 -1.50 0.00 0.00 33.47 29.28 1jj2 s TRP 71 CO 0.00 -0.14 1.06 -1.91 -4.62 0.00 0.00 176.95 171.35 1jj2 n GLU 72 N 4.83 1.35 -4.47 5.86 2.13 -1.26 -4.30 120.64 124.78 1jj2 n GLU 72 Ca 0.00 -2.02 -0.28 0.00 0.66 0.00 0.00 57.16 55.52 1jj2 n GLU 72 Cb 0.50 -1.20 -0.08 0.00 0.27 0.00 0.00 31.44 30.93 1jj2 n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jj2 s ALA 73 N -1.92 3.64 0.99 4.31 0.00 -1.26 -4.37 121.76 123.15 1jj2 s ALA 73 Ca 0.19 -1.64 -0.12 0.00 0.00 0.00 0.00 51.96 50.38 1jj2 s ALA 73 Cb 0.17 -0.09 0.12 0.00 0.00 0.00 0.00 23.12 23.32 1jj2 s ALA 73 CO 0.02 -0.13 0.71 -2.30 0.00 0.00 0.00 175.76 174.05 1jj2 n PRO 74 N -1.19 -0.76 -0.04 0.00 -0.02 -1.26 -4.96 135.00 126.77 1jj2 n PRO 74 Ca -0.08 -0.18 0.03 0.00 -2.02 0.00 0.00 63.50 61.26 1jj2 n PRO 74 Cb 0.66 -2.07 0.05 0.00 -0.02 0.00 0.00 33.50 32.12 1jj2 n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1jj2 n THR 75 N -4.10 1.27 -1.90 3.45 -2.24 -1.26 -4.71 114.28 104.79 1jj2 n THR 75 Ca 0.08 -1.36 -0.28 0.00 -2.27 0.00 0.00 64.05 60.21 1jj2 n THR 75 Cb 0.54 0.28 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 1jj2 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jj2 n GLY 76 N -0.70 6.17 3.48 3.38 0.00 -1.02 -4.01 105.19 112.50 1jj2 n GLY 76 Ca 0.05 -2.58 -0.25 0.00 0.00 0.00 0.00 46.02 43.25 1jj2 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jj2 s ASN 77 N -2.99 2.61 0.10 1.61 2.20 -1.26 -4.99 114.94 112.22 1jj2 s ASN 77 Ca 0.54 -1.67 -0.27 0.00 -0.94 0.00 0.00 52.86 50.52 1jj2 s ASN 77 Cb 0.44 0.50 -0.11 0.00 -2.00 0.00 0.00 41.25 40.08 1jj2 s ASN 77 CO -0.03 -0.94 1.65 0.24 -2.94 0.00 0.00 177.10 175.08 1jj2 h MET 78 N 1.85 -0.44 -0.49 3.55 2.86 -1.88 -1.17 114.93 119.20 1jj2 h MET 78 Ca -0.34 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.39 1jj2 h MET 78 Cb 1.27 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 33.00 1jj2 h MET 78 CO 0.55 -0.29 0.33 -1.35 1.06 0.00 0.00 176.91 177.20 1jj2 h PRO 79 N -0.46 0.39 0.29 -0.22 0.11 -1.72 -1.60 132.00 128.79 1jj2 h PRO 79 Ca 0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1jj2 h PRO 79 Cb 0.45 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1jj2 h PRO 79 CO -0.08 0.26 -0.14 1.03 -0.21 0.00 0.00 178.00 178.86 1jj2 h SER 80 N 0.40 -0.33 -0.33 -2.05 0.87 -1.75 -2.69 113.55 107.66 1jj2 h SER 80 Ca 0.22 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 1jj2 h SER 80 Cb 0.35 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 1jj2 h SER 80 CO -0.05 -0.05 -0.05 0.00 -0.53 0.00 0.00 176.83 176.14 1jj2 h ALA 81 N 0.03 0.25 0.05 6.23 0.00 -0.39 -0.78 119.26 124.65 1jj2 h ALA 81 Ca -0.04 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1jj2 h ALA 81 Cb 0.44 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1jj2 h ALA 81 CO 0.06 -0.44 -0.25 -0.92 0.00 0.00 0.00 179.25 177.70 1jj2 h TYR 82 N 0.03 -0.68 -0.99 0.00 3.20 -1.34 -0.41 116.97 116.79 1jj2 h TYR 82 Ca 0.16 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.10 1jj2 h TYR 82 Cb 0.24 0.29 -0.06 0.00 1.54 0.00 0.00 36.73 38.74 1jj2 h TYR 82 CO -0.28 -0.35 0.64 -0.07 -1.64 0.00 0.00 178.16 176.46 1jj2 h LEU 83 N -0.42 1.06 -1.17 2.82 3.38 -1.16 0.88 115.31 120.70 1jj2 h LEU 83 Ca 0.05 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1jj2 h LEU 83 Cb 0.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1jj2 h LEU 83 CO -0.19 0.71 -0.11 0.74 0.09 0.00 0.00 178.44 179.67 1jj2 h THR 84 N 1.22 1.22 -0.13 0.22 2.02 -0.68 0.17 112.91 116.95 1jj2 h THR 84 Ca 0.40 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 1jj2 h THR 84 Cb 0.05 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1jj2 h THR 84 CO -0.14 0.31 -0.06 1.23 0.37 0.00 0.00 175.52 177.23 1jj2 h GLY 85 N 0.89 0.29 1.00 2.16 0.00 0.65 -1.13 103.07 106.93 1jj2 h GLY 85 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1jj2 h GLY 85 CO 0.03 0.23 0.37 -2.00 0.00 0.00 0.00 176.54 175.17 1jj2 h LEU 86 N -0.07 0.82 -0.03 3.11 5.85 -0.59 0.33 115.31 124.73 1jj2 h LEU 86 Ca 0.03 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1jj2 h LEU 86 Cb 0.52 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1jj2 h LEU 86 CO 0.02 0.67 0.02 0.25 -0.34 0.00 0.00 178.44 179.06 1jj2 h LEU 87 N 0.91 0.04 -0.68 2.25 5.85 -0.61 0.10 115.31 123.16 1jj2 h LEU 87 Ca 0.23 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1jj2 h LEU 87 Cb 0.03 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1jj2 h LEU 87 CO -0.04 0.09 0.24 0.00 -0.34 0.00 0.00 178.44 178.39 1jj2 h ALA 88 N 0.95 0.89 -0.57 1.25 0.00 -0.96 -1.89 119.26 118.93 1jj2 h ALA 88 Ca 0.01 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1jj2 h ALA 88 Cb 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1jj2 h ALA 88 CO -0.00 0.55 0.32 0.78 0.00 0.00 0.00 179.25 180.90 1jj2 h GLY 89 N 0.99 0.82 0.91 0.00 0.00 0.03 0.26 103.07 106.08 1jj2 h GLY 89 Ca 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1jj2 h GLY 89 CO -0.01 0.17 0.11 1.41 0.00 0.00 0.00 176.54 178.21 1jj2 h LEU 90 N 0.62 0.38 -1.34 3.11 3.38 -0.53 0.20 115.31 121.13 1jj2 h LEU 90 Ca 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1jj2 h LEU 90 Cb 0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1jj2 h LEU 90 CO -0.14 0.45 0.33 0.03 0.09 0.00 0.00 178.44 179.20 1jj2 h ARG 91 N 0.29 0.78 0.13 1.13 3.08 -0.99 -0.90 114.38 117.91 1jj2 h ARG 91 Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1jj2 h ARG 91 Cb 0.19 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1jj2 h ARG 91 CO -0.01 0.56 -0.06 0.00 -1.07 0.00 0.00 179.97 179.39 1jj2 h ALA 92 N 1.57 -0.17 -0.48 0.04 0.00 0.26 -1.47 119.26 119.01 1jj2 h ALA 92 Ca 0.20 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1jj2 h ALA 92 Cb -0.00 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1jj2 h ALA 92 CO -0.04 -0.59 0.16 1.96 0.00 0.00 0.00 179.25 180.74 1jj2 h GLN 93 N -0.20 0.31 -0.82 0.00 1.08 -0.32 -0.72 115.11 114.45 1jj2 h GLN 93 Ca -0.02 -0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.26 1jj2 h GLN 93 Cb 0.15 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.46 1jj2 h GLN 93 CO 0.03 0.21 0.54 0.93 -0.95 0.00 0.00 178.83 179.58 1jj2 h GLU 94 N 0.32 0.76 0.00 1.46 4.39 -0.83 0.12 114.58 120.80 1jj2 h GLU 94 Ca 0.23 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1jj2 h GLU 94 Cb 0.25 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1jj2 h GLU 94 CO -0.25 0.50 0.00 0.00 -1.16 0.00 0.00 179.01 178.11 1jj2 n ALA 95 N -2.43 2.33 -0.45 3.43 0.00 -0.36 -4.85 120.51 118.17 1jj2 n ALA 95 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jj2 n ALA 95 Cb 0.31 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1jj2 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jj2 n GLY 96 N 0.56 0.76 3.70 0.00 0.00 0.44 -5.06 105.19 105.59 1jj2 n GLY 96 Ca 0.16 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1jj2 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jj2 s VAL 97 N -2.00 5.04 -0.06 1.61 1.01 -0.68 -4.96 120.40 120.37 1jj2 s VAL 97 Ca 0.00 1.34 0.09 0.00 0.00 0.00 0.00 61.98 63.41 1jj2 s VAL 97 Cb 0.00 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 1jj2 s VAL 97 CO 0.00 0.21 0.11 -0.62 0.00 0.00 0.00 175.10 174.79 1jj2 n GLU 98 N 4.20 1.63 -3.91 2.72 1.02 -1.26 -3.90 120.64 121.15 1jj2 n GLU 98 Ca -0.01 -0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.00 1jj2 n GLU 98 Cb 0.51 -1.24 -0.09 0.00 -0.02 0.00 0.00 31.44 30.60 1jj2 n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1jj2 s GLU 99 N -2.41 0.70 0.14 3.49 -1.05 -1.26 -1.15 118.70 117.16 1jj2 s GLU 99 Ca -0.04 -0.85 -0.24 0.00 -0.15 0.00 0.00 54.97 53.69 1jj2 s GLU 99 Cb 0.04 0.28 0.07 0.00 -0.44 0.00 0.00 34.13 34.08 1jj2 s GLU 99 CO 0.40 -0.19 0.74 0.00 0.95 0.00 0.00 175.26 177.15 1jj2 s ALA 100 N -3.16 -1.58 -0.06 -0.84 0.00 -0.84 -3.93 121.76 111.34 1jj2 s ALA 100 Ca -0.00 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1jj2 s ALA 100 Cb 0.02 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 1jj2 s ALA 100 CO -0.07 -0.84 -0.14 0.08 0.00 0.00 0.00 175.76 174.79 1jj2 s VAL 101 N -3.57 3.10 -0.14 0.00 1.01 -0.31 -3.97 120.40 116.52 1jj2 s VAL 101 Ca 0.05 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1jj2 s VAL 101 Cb -0.02 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1jj2 s VAL 101 CO -0.06 0.58 1.30 -0.22 0.00 0.00 0.00 175.10 176.70 1jj2 s LEU 102 N -0.57 4.20 -0.32 3.92 2.96 -1.26 -0.54 118.68 127.07 1jj2 s LEU 102 Ca 0.08 1.76 -0.05 0.00 -0.22 0.00 0.00 54.13 55.70 1jj2 s LEU 102 Cb -0.11 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.07 1jj2 s LEU 102 CO 0.01 -0.76 0.07 -0.62 -1.32 0.00 0.00 176.35 173.72 1jj2 s ASP 103 N 2.07 5.13 -0.20 3.68 -1.08 -0.30 -4.91 116.67 121.06 1jj2 s ASP 103 Ca 0.57 -1.09 0.15 0.00 -0.52 0.00 0.00 52.55 51.66 1jj2 s ASP 103 Cb -0.23 -1.82 0.74 0.00 -1.46 0.00 0.00 42.92 40.15 1jj2 s ASP 103 CO 0.17 -0.28 1.66 2.30 0.52 0.00 0.00 175.17 179.53 1jj2 n ILE 104 N 4.77 2.47 0.00 4.11 -5.35 -1.26 -1.11 119.36 122.98 1jj2 n ILE 104 Ca -0.13 -1.45 0.00 0.00 -0.27 0.00 0.00 62.75 60.89 1jj2 n ILE 104 Cb 0.45 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 1jj2 n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jj2 n GLY 105 N 0.50 3.07 0.91 3.28 0.00 -1.26 -1.23 105.19 110.46 1jj2 n GLY 105 Ca 0.26 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.32 1jj2 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jj2 n LEU 106 N 0.00 2.64 -4.84 0.99 4.77 -1.26 -4.92 117.00 114.37 1jj2 n LEU 106 Ca 0.00 -1.32 -0.29 0.00 -0.03 0.00 0.00 56.01 54.37 1jj2 n LEU 106 Cb 0.00 -0.36 0.11 0.00 -2.33 0.00 0.00 43.42 40.85 1jj2 n LEU 106 CO 0.00 0.56 0.75 0.20 -1.33 0.00 0.00 177.39 177.57 1jj2 s ASN 107 N -0.89 3.98 -0.11 -1.43 -0.87 -0.36 -5.06 114.94 110.21 1jj2 s ASN 107 Ca 0.30 0.89 -0.04 0.00 -1.57 0.00 0.00 52.86 52.43 1jj2 s ASN 107 Cb 0.17 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.25 39.93 1jj2 s ASN 107 CO 0.18 -2.25 0.06 -0.44 -2.57 0.00 0.00 177.10 172.08 1jj2 s SER 108 N -4.27 5.72 0.00 -1.22 0.01 -1.26 -5.00 113.70 107.67 1jj2 s SER 108 Ca 0.63 0.27 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1jj2 s SER 108 Cb -0.13 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.35 1jj2 s SER 108 CO 0.51 0.37 0.83 -2.65 0.41 0.00 0.00 173.24 172.72 1jj2 n PRO 109 N 2.20 0.43 -2.12 12.44 -0.02 -1.26 -4.90 135.00 141.76 1jj2 n PRO 109 Ca -0.19 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 1jj2 n PRO 109 Cb 0.54 -1.29 -0.03 0.00 -0.02 0.00 0.00 33.50 32.70 1jj2 n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jj2 s THR 110 N 1.11 3.17 0.39 3.45 2.01 -1.26 -4.96 115.64 119.55 1jj2 s THR 110 Ca 0.00 0.84 -0.26 0.00 0.31 0.00 0.00 61.69 62.58 1jj2 s THR 110 Cb 0.00 -3.54 -0.11 0.00 0.01 0.00 0.00 72.50 68.86 1jj2 s THR 110 CO 0.00 0.07 1.26 -2.65 -0.69 0.00 0.00 174.62 172.61 1jj2 n PRO 111 N 3.91 1.97 -1.08 4.92 -0.02 -1.26 -1.79 135.00 141.64 1jj2 n PRO 111 Ca 0.12 0.70 -0.03 0.00 -2.02 0.00 0.00 63.50 62.27 1jj2 n PRO 111 Cb 0.42 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 1jj2 n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jj2 n GLY 112 N 0.81 0.48 3.68 -1.23 0.00 0.23 -4.93 105.19 104.24 1jj2 n GLY 112 Ca 0.06 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1jj2 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jj2 s SER 113 N -2.21 2.25 0.21 1.61 0.01 -0.74 -4.66 113.70 110.17 1jj2 s SER 113 Ca 0.00 0.93 0.03 0.00 1.31 0.00 0.00 55.95 58.22 1jj2 s SER 113 Cb 0.00 -1.42 0.16 0.00 0.21 0.00 0.00 66.02 64.97 1jj2 s SER 113 CO 0.00 -3.33 1.50 0.11 0.41 0.00 0.00 173.24 171.93 1jj2 h LYS 114 N -2.03 0.26 -0.37 12.44 1.57 -1.94 -2.69 116.57 123.80 1jj2 h LYS 114 Ca -0.51 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.03 1jj2 h LYS 114 Cb 1.32 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 1jj2 h LYS 114 CO 0.51 0.84 0.07 -0.39 -0.57 0.00 0.00 179.45 179.91 1jj2 h VAL 115 N 0.18 1.18 0.00 0.50 -1.51 -1.94 0.77 116.25 115.43 1jj2 h VAL 115 Ca -0.02 -0.66 -0.13 0.00 -1.23 0.00 0.00 66.70 64.66 1jj2 h VAL 115 Cb 1.22 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.19 1jj2 h VAL 115 CO 0.11 0.24 -0.64 -0.26 -1.23 0.00 0.00 177.57 175.78 1jj2 h PHE 116 N 0.54 0.00 -0.40 5.19 0.05 -1.89 -1.13 116.94 119.30 1jj2 h PHE 116 Ca 0.12 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.80 1jj2 h PHE 116 Cb 0.24 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.18 1jj2 h PHE 116 CO 0.01 0.64 -0.20 0.00 -0.18 0.00 0.00 178.31 178.57 1jj2 h ALA 117 N 1.36 0.57 -0.66 2.45 0.00 -0.97 0.22 119.26 122.23 1jj2 h ALA 117 Ca -0.01 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1jj2 h ALA 117 Cb 1.28 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1jj2 h ALA 117 CO 0.08 0.54 0.42 0.82 0.00 0.00 0.00 179.25 181.11 1jj2 h ILE 118 N 0.67 1.12 -0.78 0.00 2.04 -0.61 0.16 117.51 120.11 1jj2 h ILE 118 Ca 0.09 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1jj2 h ILE 118 Cb 0.77 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1jj2 h ILE 118 CO 0.06 0.15 0.32 -0.61 0.00 0.00 0.00 178.15 178.07 1jj2 h GLN 119 N 0.84 1.15 -0.36 2.37 4.15 -0.70 -1.65 115.11 120.91 1jj2 h GLN 119 Ca 0.26 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1jj2 h GLN 119 Cb -0.03 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 1jj2 h GLN 119 CO -0.08 0.93 0.18 1.49 -1.93 0.00 0.00 178.83 179.41 1jj2 h GLU 120 N 1.12 0.52 0.01 1.69 4.81 0.43 -2.03 114.58 121.13 1jj2 h GLU 120 Ca 0.26 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1jj2 h GLU 120 Cb 0.20 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1jj2 h GLU 120 CO -0.02 0.47 -0.14 0.78 -0.73 0.00 0.00 179.01 179.37 1jj2 h GLY 121 N 0.45 -0.18 0.89 1.92 0.00 -0.65 -1.74 103.07 103.77 1jj2 h GLY 121 Ca 0.13 0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.68 1jj2 h GLY 121 CO -0.02 -0.14 0.56 0.00 0.00 0.00 0.00 176.54 176.95 1jj2 h ALA 122 N 0.70 1.55 -0.49 3.60 0.00 -1.19 -0.98 119.26 122.47 1jj2 h ALA 122 Ca 0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1jj2 h ALA 122 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jj2 h ALA 122 CO -0.13 0.31 -0.09 0.82 0.00 0.00 0.00 179.25 180.16 1jj2 h ILE 123 N 0.97 1.27 0.00 0.00 2.04 -0.97 -2.33 117.51 118.49 1jj2 h ILE 123 Ca 0.37 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 1jj2 h ILE 123 Cb 0.21 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1jj2 h ILE 123 CO -0.14 0.42 -0.26 0.44 0.00 0.00 0.00 178.15 178.61 1jj2 h ASP 124 N 0.77 0.00 0.71 1.72 3.32 -0.65 -1.23 116.42 121.07 1jj2 h ASP 124 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1jj2 h ASP 124 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1jj2 h ASP 124 CO 0.04 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.83 1jj2 h ALA 125 N 1.74 1.00 0.00 3.45 0.00 -0.86 -3.45 119.26 121.13 1jj2 h ALA 125 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jj2 h ALA 125 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1jj2 h ALA 125 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1jj2 n GLY 126 N -0.28 1.33 3.70 0.00 0.00 -0.47 -4.65 105.19 104.82 1jj2 n GLY 126 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1jj2 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jj2 s LEU 127 N 0.00 4.35 -0.39 0.99 1.02 -0.91 -4.97 118.68 118.77 1jj2 s LEU 127 Ca 0.00 2.28 -0.26 0.00 0.02 0.00 0.00 54.13 56.16 1jj2 s LEU 127 Cb 0.00 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.65 1jj2 s LEU 127 CO 0.00 -0.70 0.97 -0.62 0.02 0.00 0.00 176.35 176.01 1jj2 s ASP 128 N 1.52 6.66 -0.03 2.29 -1.08 -0.30 -4.07 116.67 121.66 1jj2 s ASP 128 Ca 0.65 0.52 0.01 0.00 -0.52 0.00 0.00 52.55 53.22 1jj2 s ASP 128 Cb -0.35 -2.48 0.02 0.00 -1.46 0.00 0.00 42.92 38.65 1jj2 s ASP 128 CO 0.29 -0.95 -0.02 -0.63 0.52 0.00 0.00 175.17 174.39 1jj2 s ILE 129 N 3.67 0.31 -0.02 4.11 1.01 -1.26 -1.98 121.20 127.03 1jj2 s ILE 129 Ca 0.40 -0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.73 1jj2 s ILE 129 Cb -0.11 -0.36 -0.09 0.00 0.01 0.00 0.00 42.46 41.90 1jj2 s ILE 129 CO 0.21 0.16 1.98 -2.65 0.00 0.00 0.00 174.94 174.65 1jj2 n PRO 130 N 3.95 2.59 -3.16 2.79 -0.02 -1.26 -4.91 135.00 134.99 1jj2 n PRO 130 Ca -0.25 0.93 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 1jj2 n PRO 130 Cb 0.51 -2.93 -0.03 0.00 -0.02 0.00 0.00 33.50 31.03 1jj2 n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1jj2 n HIS 131 N 7.75 -0.97 -3.48 6.00 1.44 -1.26 -4.71 115.22 119.99 1jj2 n HIS 131 Ca 0.22 -1.55 -0.21 0.00 -2.01 0.00 0.00 57.72 54.17 1jj2 n HIS 131 Cb 0.38 0.32 -0.12 0.00 0.12 0.00 0.00 29.99 30.69 1jj2 n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1jj2 s ASN 132 N -2.40 2.02 0.41 4.39 3.84 -1.26 -5.06 114.94 116.88 1jj2 s ASN 132 Ca 0.20 -0.67 0.20 0.00 0.21 0.00 0.00 52.86 52.80 1jj2 s ASN 132 Cb -0.00 0.23 1.14 0.00 -0.55 0.00 0.00 41.25 42.07 1jj2 s ASN 132 CO 0.14 -0.37 1.77 0.44 -2.79 0.00 0.00 177.10 176.28 1jj2 h ASP 133 N 8.32 0.41 -0.51 -4.21 3.32 -2.01 -2.34 116.42 119.40 1jj2 h ASP 133 Ca -0.16 0.08 -0.28 0.00 0.02 0.00 0.00 57.03 56.69 1jj2 h ASP 133 Cb 1.09 0.02 -0.16 0.00 0.22 0.00 0.00 39.33 40.50 1jj2 h ASP 133 CO 0.34 0.07 0.36 -0.90 -1.72 0.00 0.00 179.24 177.38 1jj2 n ASP 134 N -4.60 3.95 0.00 6.45 5.68 -1.26 -2.85 116.55 123.91 1jj2 n ASP 134 Ca 0.26 -2.88 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 1jj2 n ASP 134 Cb 0.92 -0.74 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1jj2 n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1jj2 n VAL 135 N -0.24 0.00 -3.23 2.12 3.14 -0.88 -4.98 118.33 114.25 1jj2 n VAL 135 Ca 0.31 -0.40 -0.23 0.00 -2.96 0.00 0.00 64.34 61.06 1jj2 n VAL 135 Cb 1.02 1.11 -0.00 0.00 -1.06 0.00 0.00 33.84 34.91 1jj2 n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1jj2 s LEU 136 N -0.69 3.87 0.86 6.55 1.43 -1.13 -0.60 118.68 128.97 1jj2 s LEU 136 Ca 0.00 0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1jj2 s LEU 136 Cb 0.00 -3.22 0.11 0.00 0.03 0.00 0.00 46.19 43.11 1jj2 s LEU 136 CO 0.00 -0.46 1.09 0.00 0.23 0.00 0.00 176.35 177.21 1jj2 s ALA 137 N -2.40 1.79 -0.22 4.21 0.00 -1.26 -4.37 121.76 119.51 1jj2 s ALA 137 Ca 0.43 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 1jj2 s ALA 137 Cb -0.10 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 1jj2 s ALA 137 CO 0.36 -2.14 3.04 -0.40 0.00 0.00 0.00 175.76 176.63 1jj2 n ASP 138 N -3.74 5.88 0.00 0.00 5.75 -1.26 -4.89 116.55 118.29 1jj2 n ASP 138 Ca 0.07 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.02 1jj2 n ASP 138 Cb 0.55 -1.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.35 1jj2 n ASP 138 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1jj2 n TRP 139 N 1.57 0.00 -0.18 2.11 -0.00 -1.26 -4.22 117.44 115.46 1jj2 n TRP 139 Ca 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.90 1jj2 n TRP 139 Cb 0.71 0.00 0.08 0.00 -0.00 0.00 0.00 31.31 32.10 1jj2 n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1jj2 h GLN 140 N 0.00 0.43 -0.29 5.87 1.08 -1.99 0.37 115.11 120.58 1jj2 h GLN 140 Ca 0.00 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 1jj2 h GLN 140 Cb 0.00 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 1jj2 h GLN 140 CO 0.00 0.29 -0.12 -0.09 -0.95 0.00 0.00 178.83 177.95 1jj2 h ARG 141 N 0.45 0.50 -0.59 1.46 2.43 -1.94 -1.12 114.38 115.56 1jj2 h ARG 141 Ca 0.26 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1jj2 h ARG 141 Cb 0.26 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1jj2 h ARG 141 CO -0.23 0.62 0.20 1.15 -1.51 0.00 0.00 179.97 180.19 1jj2 h THR 142 N 0.46 1.24 0.00 0.20 2.02 -1.32 -1.64 112.91 113.87 1jj2 h THR 142 Ca 0.09 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1jj2 h THR 142 Cb 0.49 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1jj2 h THR 142 CO 0.03 0.30 -0.03 0.03 0.37 0.00 0.00 175.52 176.22 1jj2 h ARG 143 N 0.83 0.00 0.00 6.66 3.08 0.36 -2.69 114.38 122.62 1jj2 h ARG 143 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1jj2 h ARG 143 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1jj2 h ARG 143 CO -0.01 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1jj2 n GLY 144 N -1.37 1.34 0.29 0.04 0.00 -0.62 -4.44 105.19 100.44 1jj2 n GLY 144 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1jj2 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 h ALA 145 N 0.00 0.91 -0.64 4.61 0.00 -1.40 -2.40 119.26 120.34 1jj2 h ALA 145 Ca 0.00 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.98 1jj2 h ALA 145 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1jj2 h ALA 145 CO 0.00 0.41 0.46 1.12 0.00 0.00 0.00 179.25 181.23 1jj2 h HIS 146 N 0.97 0.09 0.08 0.00 2.07 -1.82 -0.68 115.15 115.86 1jj2 h HIS 146 Ca 0.25 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.49 1jj2 h HIS 146 Cb 0.02 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 29.96 1jj2 h HIS 146 CO -0.01 0.03 -1.39 0.97 -3.07 0.00 0.00 177.93 174.47 1jj2 h ILE 147 N 0.08 1.29 0.20 6.12 2.10 -1.81 -2.69 117.51 122.81 1jj2 h ILE 147 Ca 0.31 -2.96 -0.01 0.00 1.08 0.00 0.00 64.86 63.28 1jj2 h ILE 147 Cb 1.12 2.77 0.00 0.00 -1.09 0.00 0.00 36.82 39.62 1jj2 h ILE 147 CO -0.03 0.83 -0.10 0.00 -1.08 0.00 0.00 178.15 177.77 1jj2 h ALA 148 N 0.67 -0.27 -0.68 0.18 0.00 -0.86 -1.73 119.26 116.58 1jj2 h ALA 148 Ca -0.18 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1jj2 h ALA 148 Cb 1.96 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 1jj2 h ALA 148 CO 0.15 -0.54 0.45 0.93 0.00 0.00 0.00 179.25 180.24 1jj2 h GLU 149 N -0.50 0.65 -0.17 0.00 5.08 -1.30 0.69 114.58 119.03 1jj2 h GLU 149 Ca -0.03 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1jj2 h GLU 149 Cb 0.38 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1jj2 h GLU 149 CO 0.05 0.43 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.49 1jj2 h TYR 150 N 0.67 0.27 0.00 4.33 3.20 -1.13 -0.23 116.97 124.08 1jj2 h TYR 150 Ca 0.30 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1jj2 h TYR 150 Cb 0.30 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1jj2 h TYR 150 CO -0.00 0.35 -0.02 -3.47 -1.64 0.00 0.00 178.16 173.37 1jj2 n ASP 151 N -4.31 0.77 0.15 -2.11 -0.08 0.15 -2.69 116.55 108.43 1jj2 n ASP 151 Ca -0.00 0.55 0.02 0.00 -1.51 0.00 0.00 54.79 53.85 1jj2 n ASP 151 Cb 0.23 -0.75 0.35 0.00 2.34 0.00 0.00 41.12 43.30 1jj2 n ASP 151 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1jj2 h GLU 152 N 0.00 0.12 -1.36 -0.67 4.57 -0.16 0.59 114.58 117.67 1jj2 h GLU 152 Ca 0.00 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 57.99 1jj2 h GLU 152 Cb 0.73 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.23 1jj2 h GLU 152 CO 0.00 0.41 0.19 1.04 -1.18 0.00 0.00 179.01 179.47 1jj2 n GLN 153 N -4.16 1.36 0.00 1.92 6.02 -1.09 -4.81 117.38 116.62 1jj2 n GLN 153 Ca -0.02 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.20 1jj2 n GLN 153 Cb 0.37 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1jj2 n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1jj2 n LEU 154 N 0.48 0.00 0.00 1.08 7.94 0.20 -4.81 117.00 121.89 1jj2 n LEU 154 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1jj2 n LEU 154 Cb 0.67 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.62 1jj2 n LEU 154 CO 0.17 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.66 1jj2 n GLU 155 N 0.00 0.00 -3.65 1.96 2.13 -1.26 -4.88 120.64 114.94 1jj2 n GLU 155 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1jj2 n GLU 155 Cb 0.00 -0.38 -0.06 0.00 0.27 0.00 0.00 31.44 31.27 1jj2 n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1jj2 s GLU 156 N -0.32 0.64 -0.02 5.31 2.02 -1.26 -5.14 118.70 119.93 1jj2 s GLU 156 Ca 0.00 1.32 -0.38 0.00 0.02 0.00 0.00 54.97 55.93 1jj2 s GLU 156 Cb 0.00 0.46 -0.17 0.00 0.10 0.00 0.00 34.13 34.52 1jj2 s GLU 156 CO 0.00 -0.17 1.41 -2.30 0.02 0.00 0.00 175.26 174.22 1jj2 n PRO 157 N 4.82 1.03 0.22 0.39 -0.02 -1.26 -4.84 135.00 135.33 1jj2 n PRO 157 Ca -0.16 0.37 0.06 0.00 -2.02 0.00 0.00 63.50 61.75 1jj2 n PRO 157 Cb 0.54 -2.01 0.49 0.00 -0.02 0.00 0.00 33.50 32.51 1jj2 n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1jj2 h LEU 158 N 5.03 0.00 -8.79 2.45 5.85 -1.92 -3.40 115.31 114.53 1jj2 h LEU 158 Ca -0.48 0.00 -0.64 0.00 0.84 0.00 0.00 57.88 57.60 1jj2 h LEU 158 Cb 1.34 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.17 1jj2 h LEU 158 CO 0.81 0.25 -0.59 -0.31 -0.34 0.00 0.00 178.44 178.26 1jj2 s TYR 159 N -4.31 3.14 -0.75 1.25 1.51 -1.26 -5.03 117.35 111.90 1jj2 s TYR 159 Ca -0.03 -0.21 -0.26 0.00 -1.01 0.00 0.00 57.07 55.56 1jj2 s TYR 159 Cb 0.14 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 1jj2 s TYR 159 CO 0.68 -0.21 1.80 0.45 -1.11 0.00 0.00 175.55 177.16 1jj2 s SER 160 N 1.37 5.41 0.00 2.29 0.15 -1.26 -4.45 113.70 117.20 1jj2 s SER 160 Ca 0.06 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1jj2 s SER 160 Cb -0.15 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1jj2 s SER 160 CO 0.05 -2.38 0.00 0.61 1.20 0.00 0.00 173.24 172.71 1jj2 n GLY 161 N 6.12 1.78 3.16 9.45 0.00 -1.26 -4.90 105.19 119.54 1jj2 n GLY 161 Ca 0.26 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1jj2 n GLY 161 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jj2 n ASP 162 N 3.93 0.00 -4.34 1.61 9.92 -1.26 -4.54 116.55 121.86 1jj2 n ASP 162 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 1jj2 n ASP 162 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1jj2 n ASP 162 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1jj2 s PHE 163 N 0.00 2.03 0.23 1.24 -0.00 -1.26 -5.08 117.98 115.13 1jj2 s PHE 163 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 56.93 56.52 1jj2 s PHE 163 Cb 0.00 -1.07 0.00 0.00 -0.00 0.00 0.00 43.02 41.95 1jj2 s PHE 163 CO 0.00 0.31 0.00 -0.40 -0.00 0.00 0.00 175.22 175.13 1jj2 n ASP 164 N 0.79 -3.58 -0.04 1.98 5.68 -1.26 -4.73 116.55 115.38 1jj2 n ASP 164 Ca -0.17 0.51 -0.05 0.00 -0.50 0.00 0.00 54.79 54.58 1jj2 n ASP 164 Cb 0.54 -2.92 -0.05 0.00 -1.14 0.00 0.00 41.12 37.55 1jj2 n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jj2 n ALA 165 N -2.94 1.81 -0.45 2.12 0.00 -1.26 -4.58 120.51 115.21 1jj2 n ALA 165 Ca -0.03 -0.41 0.10 0.00 0.00 0.00 0.00 53.44 53.11 1jj2 n ALA 165 Cb 0.48 0.23 0.32 0.00 0.00 0.00 0.00 19.45 20.47 1jj2 n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jj2 n ALA 166 N -2.58 2.60 -1.22 0.00 0.00 -1.26 -4.48 120.51 113.58 1jj2 n ALA 166 Ca -0.14 -1.41 0.14 0.00 0.00 0.00 0.00 53.44 52.03 1jj2 n ALA 166 Cb 0.69 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 1jj2 n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jj2 n ASP 167 N 1.34 -6.54 -3.57 0.00 8.00 -1.26 -4.76 116.55 109.75 1jj2 n ASP 167 Ca 0.24 0.77 -0.25 0.00 0.71 0.00 0.00 54.79 56.25 1jj2 n ASP 167 Cb 0.70 -3.90 -0.16 0.00 -0.02 0.00 0.00 41.12 37.74 1jj2 n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jj2 s LEU 168 N -6.14 0.29 0.00 0.64 1.43 -1.26 -4.91 118.68 108.73 1jj2 s LEU 168 Ca 0.00 -0.68 0.29 0.00 -1.03 0.00 0.00 54.13 52.71 1jj2 s LEU 168 Cb 0.00 -0.14 1.24 0.00 0.03 0.00 0.00 46.19 47.32 1jj2 s LEU 168 CO 0.00 -0.36 1.91 -2.65 0.23 0.00 0.00 176.35 175.47 1jj2 n PRO 169 N 5.28 0.17 0.08 1.29 -0.02 -1.26 -2.54 135.00 138.00 1jj2 n PRO 169 Ca -0.06 -0.02 -0.15 0.00 -2.02 0.00 0.00 63.50 61.25 1jj2 n PRO 169 Cb 0.48 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.37 1jj2 n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jj2 h GLU 170 N 0.05 0.36 0.00 -0.52 3.07 -1.91 -2.98 114.58 112.66 1jj2 h GLU 170 Ca 0.00 -0.47 -0.02 0.00 -0.50 0.00 0.00 59.36 58.37 1jj2 h GLU 170 Cb 0.43 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1jj2 h GLU 170 CO 0.00 1.16 -0.10 1.25 -1.40 0.00 0.00 179.01 179.92 1jj2 h HIS 171 N 0.17 0.00 0.21 4.33 2.76 -1.88 -1.64 115.15 119.10 1jj2 h HIS 171 Ca -0.11 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.05 1jj2 h HIS 171 Cb 1.75 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.71 1jj2 h HIS 171 CO 0.06 0.10 -0.10 0.35 -1.30 0.00 0.00 177.93 177.04 1jj2 h PHE 172 N 0.00 -0.26 -0.33 5.26 3.57 -1.59 -2.52 116.94 121.07 1jj2 h PHE 172 Ca -0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1jj2 h PHE 172 Cb 0.18 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1jj2 h PHE 172 CO 0.00 0.02 0.16 -0.44 -2.23 0.00 0.00 178.31 175.82 1jj2 h ASP 173 N -0.53 0.22 -0.72 0.41 3.32 -1.30 -0.31 116.42 117.52 1jj2 h ASP 173 Ca -0.03 0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.16 1jj2 h ASP 173 Cb 0.39 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.84 1jj2 h ASP 173 CO 0.05 0.17 0.29 -0.33 -1.72 0.00 0.00 179.24 177.70 1jj2 h GLU 174 N 0.33 0.45 0.10 3.56 5.08 -1.32 0.27 114.58 123.04 1jj2 h GLU 174 Ca 0.14 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1jj2 h GLU 174 Cb 0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1jj2 h GLU 174 CO -0.10 0.30 -0.05 1.25 -1.00 0.00 0.00 179.01 179.41 1jj2 h LEU 175 N 0.46 -0.11 -0.45 1.33 5.85 -0.95 -0.96 115.31 120.49 1jj2 h LEU 175 Ca 0.38 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1jj2 h LEU 175 Cb 0.53 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1jj2 h LEU 175 CO -0.36 0.32 0.08 -0.09 -0.34 0.00 0.00 178.44 178.05 1jj2 h ARG 176 N -0.57 0.21 -0.67 1.25 2.43 -0.74 0.37 114.38 116.66 1jj2 h ARG 176 Ca -0.01 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.28 1jj2 h ARG 176 Cb 0.46 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.87 1jj2 h ARG 176 CO 0.02 0.14 0.17 1.49 -1.51 0.00 0.00 179.97 180.27 1jj2 h GLU 177 N 0.21 0.28 0.49 0.20 4.57 -0.41 -2.19 114.58 117.73 1jj2 h GLU 177 Ca 0.22 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 1jj2 h GLU 177 Cb 0.29 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1jj2 h GLU 177 CO -0.30 0.18 -0.27 1.15 -1.18 0.00 0.00 179.01 178.60 1jj2 h THR 178 N 0.29 0.45 -0.24 0.32 2.02 0.43 -2.88 112.91 113.30 1jj2 h THR 178 Ca 0.36 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.61 1jj2 h THR 178 Cb 0.57 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1jj2 h THR 178 CO -0.44 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 175.69 1jj2 h LEU 179 N -0.70 0.00 -2.69 2.58 3.38 -0.50 -3.04 115.31 114.34 1jj2 h LEU 179 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1jj2 h LEU 179 Cb 0.56 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1jj2 h LEU 179 CO 0.08 0.00 0.14 0.18 0.09 0.00 0.00 178.44 178.93 1jj2 n LEU 180 N -3.61 4.51 0.00 1.67 4.77 -0.92 -4.80 117.00 118.62 1jj2 n LEU 180 Ca 0.03 -2.23 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 1jj2 n LEU 180 Cb 0.44 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1jj2 n LEU 180 CO 0.25 0.79 0.00 -0.90 -1.33 0.00 0.00 177.39 176.21 1jj2 n ASP 181 N 0.54 0.00 0.00 -1.43 5.75 -1.15 -5.08 116.55 115.18 1jj2 n ASP 181 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1jj2 n ASP 181 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1jj2 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jj2 n GLY 182 N 0.00 3.36 1.02 6.12 0.00 -1.26 -4.99 105.19 109.43 1jj2 n GLY 182 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1jj2 n GLY 182 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jj2 n ASP 183 N 7.98 -0.29 -4.74 1.61 5.75 -1.26 -4.68 116.55 120.91 1jj2 n ASP 183 Ca 0.00 0.06 -0.33 0.00 -0.01 0.00 0.00 54.79 54.52 1jj2 n ASP 183 Cb 0.00 -1.63 0.09 0.00 -1.03 0.00 0.00 41.12 38.55 1jj2 n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1jj2 s ILE 184 N -3.94 2.79 -1.73 2.12 -1.09 -1.26 -3.78 121.20 114.31 1jj2 s ILE 184 Ca 0.00 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1jj2 s ILE 184 Cb 0.00 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 1jj2 s ILE 184 CO 0.00 -0.26 0.00 -0.62 -1.23 0.00 0.00 174.94 172.83 1jj2 n GLU 185 N -3.04 -1.73 0.00 2.79 1.02 -1.26 -5.16 120.64 113.26 1jj2 n GLU 185 Ca 0.11 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.23 1jj2 n GLU 185 Cb 0.52 -5.62 0.00 0.00 -0.02 0.00 0.00 31.44 26.31 1jj2 n GLU 185 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59