#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jud s ALA 2 N 0.00 -0.83 -0.10 -5.12 0.00 -0.48 -4.96 121.76 110.27 3jud s ALA 2 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 3jud s ALA 2 Cb 0.00 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 3jud s ALA 2 CO 0.00 -0.88 0.09 -0.51 0.00 0.00 0.00 175.76 174.46 3jud s LEU 3 N -2.92 4.10 -0.04 0.00 1.43 -1.26 -0.82 118.68 119.17 3jud s LEU 3 Ca 0.13 0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 3jud s LEU 3 Cb -0.02 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 3jud s LEU 3 CO 0.03 0.39 -0.15 0.54 0.23 0.00 0.00 176.35 177.39 3jud s VAL 4 N -0.99 1.30 -0.32 -1.59 0.11 0.01 -0.82 120.40 118.09 3jud s VAL 4 Ca 0.15 -0.64 -0.17 0.00 -2.93 0.00 0.00 61.98 58.39 3jud s VAL 4 Cb -0.12 -1.12 -0.02 0.00 -1.53 0.00 0.00 36.38 33.59 3jud s VAL 4 CO 0.04 0.38 0.45 0.12 -3.33 0.00 0.00 175.10 172.76 3jud s PHE 5 N 0.08 3.21 -0.09 1.54 5.36 0.24 -0.98 117.98 127.34 3jud s PHE 5 Ca -0.04 0.26 -0.00 0.00 -0.96 0.00 0.00 56.93 56.18 3jud s PHE 5 Cb -0.11 -2.76 -0.03 0.00 -0.34 0.00 0.00 43.02 39.78 3jud s PHE 5 CO 0.02 -0.41 -0.06 0.14 -1.46 0.00 0.00 175.22 173.45 3jud s VAL 6 N 2.23 3.71 0.00 3.12 -7.23 0.14 -4.55 120.40 117.82 3jud s VAL 6 Ca 0.17 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 3jud s VAL 6 Cb -0.16 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.24 3jud s VAL 6 CO 0.12 0.57 0.03 0.00 -0.31 0.00 0.00 175.10 175.50 3jud n TYR 7 N 2.64 0.00 0.00 2.82 0.18 -1.26 -0.92 117.16 120.62 3jud n TYR 7 Ca -0.18 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.60 3jud n TYR 7 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 3jud n TYR 7 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3jud n GLY 8 N 0.57 2.00 0.00 -7.48 0.00 -1.26 -4.22 105.19 94.79 3jud n GLY 8 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3jud n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3jud n THR 9 N 0.00 0.61 0.78 2.61 -2.24 -1.26 -2.49 114.28 112.28 3jud n THR 9 Ca 0.00 0.15 0.12 0.00 -2.27 0.00 0.00 64.05 62.05 3jud n THR 9 Cb 0.00 -0.83 0.25 0.00 -2.10 0.00 0.00 70.33 67.65 3jud n THR 9 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3jud n LEU 10 N -1.42 0.56 -4.71 3.22 4.77 -1.26 -0.70 117.00 117.44 3jud n LEU 10 Ca 0.06 0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.89 3jud n LEU 10 Cb 0.20 -0.24 0.11 0.00 -2.33 0.00 0.00 43.42 41.16 3jud n LEU 10 CO 0.16 0.02 0.75 -0.54 -1.33 0.00 0.00 177.39 176.45 3jud s LYS 11 N -3.08 1.83 0.14 3.23 1.02 -1.04 -4.25 119.74 117.59 3jud s LYS 11 Ca 0.09 1.61 -0.34 0.00 0.02 0.00 0.00 55.97 57.34 3jud s LYS 11 Cb 0.15 -1.81 -0.16 0.00 -0.52 0.00 0.00 37.83 35.49 3jud s LYS 11 CO 0.69 -2.04 1.27 0.54 -0.92 0.00 0.00 175.35 174.90 3jud n ARG 12 N -3.28 1.26 -0.07 1.68 1.74 -1.26 -1.26 116.66 115.47 3jud n ARG 12 Ca 0.12 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 3jud n ARG 12 Cb 0.51 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 3jud n ARG 12 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jud n GLY 13 N 2.31 2.02 3.98 -0.13 0.00 -1.26 -5.04 105.19 107.07 3jud n GLY 13 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3jud n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jud s GLN 14 N -0.28 3.30 0.55 1.61 -1.52 -0.39 -5.01 119.66 117.92 3jud s GLN 14 Ca 0.00 -0.83 0.29 0.00 -1.95 0.00 0.00 55.36 52.87 3jud s GLN 14 Cb 0.00 -2.84 1.58 0.00 -0.22 0.00 0.00 33.01 31.53 3jud s GLN 14 CO 0.00 0.25 2.12 -1.35 -0.25 0.00 0.00 175.29 176.06 3jud h PRO 15 N 1.01 0.00 -0.48 2.91 0.11 -1.84 -2.29 132.00 131.43 3jud h PRO 15 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jud h PRO 15 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3jud h PRO 15 CO 0.58 0.08 0.00 0.09 -0.21 0.00 0.00 178.00 178.54 3jud n ASN 16 N -3.62 3.76 0.18 -2.05 5.03 0.12 -4.65 115.26 114.02 3jud n ASN 16 Ca -0.02 -2.30 0.08 0.00 0.87 0.00 0.00 54.58 53.21 3jud n ASN 16 Cb 0.20 -0.42 0.60 0.00 -1.02 0.00 0.00 39.78 39.14 3jud n ASN 16 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 3jud h HIS 17 N 2.90 0.12 -0.93 3.10 2.76 -1.17 -2.32 115.15 119.61 3jud h HIS 17 Ca 0.00 0.00 0.26 0.00 -2.20 0.00 0.00 60.37 58.43 3jud h HIS 17 Cb 1.09 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.97 3jud h HIS 17 CO 0.47 0.07 0.66 0.07 -1.30 0.00 0.00 177.93 177.90 3jud h ARG 18 N 0.12 0.08 0.00 5.26 -0.00 -1.83 -1.54 114.38 116.47 3jud h ARG 18 Ca 0.06 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.02 3jud h ARG 18 Cb 0.09 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.04 3jud h ARG 18 CO -0.01 0.05 -0.07 -0.39 -0.00 0.00 0.00 179.97 179.56 3jud h VAL 19 N 0.08 0.19 0.00 0.08 -1.51 -1.80 0.13 116.25 113.43 3jud h VAL 19 Ca 0.46 -0.64 -0.02 0.00 -1.23 0.00 0.00 66.70 65.26 3jud h VAL 19 Cb 1.67 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 32.37 3jud h VAL 19 CO -0.05 0.07 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.19 3jud h LEU 20 N 0.00 0.00 -1.12 4.19 3.38 -1.48 -3.25 115.31 117.03 3jud h LEU 20 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jud h LEU 20 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3jud h LEU 20 CO 0.01 0.10 -0.20 0.54 0.09 0.00 0.00 178.44 178.98 3jud n ARG 21 N -3.22 1.56 -2.70 1.13 5.12 -0.00 -4.01 116.66 114.53 3jud n ARG 21 Ca 0.01 -1.00 -0.42 0.00 -1.93 0.00 0.00 57.85 54.50 3jud n ARG 21 Cb 0.38 -1.26 -0.03 0.00 -1.16 0.00 0.00 32.46 30.39 3jud n ARG 21 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3jud s ASP 22 N -1.62 6.20 0.23 0.55 -1.08 -0.98 -4.89 116.67 115.07 3jud s ASP 22 Ca 0.14 -0.63 0.17 0.00 -0.52 0.00 0.00 52.55 51.71 3jud s ASP 22 Cb 0.12 -2.49 0.86 0.00 -1.46 0.00 0.00 42.92 39.96 3jud s ASP 22 CO 0.31 -1.60 1.51 0.61 0.52 0.00 0.00 175.17 176.52 3jud n GLY 23 N 5.32 -0.83 0.28 2.66 0.00 -1.26 -0.37 105.19 111.00 3jud n GLY 23 Ca 0.00 0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.35 3jud n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jud h ALA 24 N 2.04 1.00 -0.02 4.61 0.00 -1.97 -2.47 119.26 122.45 3jud h ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jud h ALA 24 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3jud h ALA 24 CO 0.00 0.00 -0.01 0.72 0.00 0.00 0.00 179.25 179.96 3jud n HIS 25 N -2.93 0.00 -0.17 0.00 8.25 0.51 -5.06 115.22 115.81 3jud n HIS 25 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3jud n HIS 25 Cb 0.16 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3jud n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3jud n GLY 26 N 1.28 -0.87 3.25 -1.41 0.00 -0.93 -2.03 105.19 104.47 3jud n GLY 26 Ca 0.16 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 3jud n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jud s SER 27 N -4.00 2.29 -0.08 1.61 1.04 -1.26 -4.31 113.70 109.00 3jud s SER 27 Ca 0.00 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 55.76 3jud s SER 27 Cb 0.00 -0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.04 3jud s SER 27 CO 0.00 0.04 0.16 0.00 0.98 0.00 0.00 173.24 174.43 3jud s ALA 28 N -1.12 -0.27 -0.10 5.32 0.00 -1.26 -2.20 121.76 122.14 3jud s ALA 28 Ca 0.04 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.71 3jud s ALA 28 Cb -0.10 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.43 3jud s ALA 28 CO 0.03 -0.30 -0.16 0.00 0.00 0.00 0.00 175.76 175.33 3jud s ALA 29 N 1.57 1.69 0.21 0.00 0.00 0.02 -4.93 121.76 120.33 3jud s ALA 29 Ca -0.05 -0.71 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 3jud s ALA 29 Cb -0.12 -0.77 -0.11 0.00 0.00 0.00 0.00 23.12 22.13 3jud s ALA 29 CO -0.06 0.04 1.58 0.12 0.00 0.00 0.00 175.76 177.44 3jud s PHE 30 N 0.77 2.96 -0.15 0.00 5.36 -1.26 -0.68 117.98 124.98 3jud s PHE 30 Ca -0.11 0.67 -0.08 0.00 -0.96 0.00 0.00 56.93 56.45 3jud s PHE 30 Cb -0.16 -3.98 -0.06 0.00 -0.34 0.00 0.00 43.02 38.48 3jud s PHE 30 CO 0.02 -3.50 -0.21 -2.13 -1.46 0.00 0.00 175.22 167.94 3jud n ARG 31 N 3.32 0.34 -3.54 10.12 0.63 0.44 -4.87 116.66 123.10 3jud n ARG 31 Ca 0.12 0.15 -0.08 0.00 -0.92 0.00 0.00 57.85 57.11 3jud n ARG 31 Cb 0.38 -1.07 -0.03 0.00 0.45 0.00 0.00 32.46 32.19 3jud n ARG 31 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3jud s ALA 32 N -2.33 -1.89 0.32 5.13 0.00 -1.11 -5.00 121.76 116.87 3jud s ALA 32 Ca -0.22 1.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.81 3jud s ALA 32 Cb 0.08 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 3jud s ALA 32 CO 0.28 -0.56 0.82 1.03 0.00 0.00 0.00 175.76 177.32 3jud s ARG 33 N -2.43 4.23 0.16 0.00 0.52 -1.26 -0.53 118.95 119.64 3jud s ARG 33 Ca 0.04 0.95 -0.02 0.00 -0.52 0.00 0.00 55.73 56.17 3jud s ARG 33 Cb -0.01 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 3jud s ARG 33 CO -0.05 0.20 0.10 0.20 0.02 0.00 0.00 175.30 175.77 3jud s GLY 34 N -1.96 1.09 -0.01 -3.53 0.00 -0.43 -1.20 107.32 101.27 3jud s GLY 34 Ca 0.52 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3jud s GLY 34 CO 0.19 -1.33 0.00 -1.60 0.00 0.00 0.00 173.10 170.36 3jud s ARG 35 N -4.08 0.10 0.53 2.90 3.52 -0.32 -0.98 118.95 120.62 3jud s ARG 35 Ca 0.28 0.04 -0.22 0.00 -0.13 0.00 0.00 55.73 55.69 3jud s ARG 35 Cb 0.07 -0.20 -0.06 0.00 -1.56 0.00 0.00 34.95 33.20 3jud s ARG 35 CO 0.05 -0.05 1.34 0.25 -0.81 0.00 0.00 175.30 176.08 3jud n THR 36 N 3.52 3.60 0.09 4.11 -2.24 -0.08 -0.30 114.28 122.97 3jud n THR 36 Ca -0.19 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.02 3jud n THR 36 Cb 0.56 -1.65 -0.03 0.00 -2.10 0.00 0.00 70.33 67.11 3jud n THR 36 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3jud h LEU 37 N 1.54 0.15 -9.35 3.22 3.38 -1.83 -3.42 115.31 108.99 3jud h LEU 37 Ca -0.50 -0.13 -0.66 0.00 0.09 0.00 0.00 57.88 56.68 3jud h LEU 37 Cb 1.30 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.87 3jud h LEU 37 CO 0.57 0.97 -0.70 -1.61 0.09 0.00 0.00 178.44 177.76 3jud s GLU 38 N -3.07 2.34 0.43 1.13 0.41 -1.26 -5.05 118.70 113.62 3jud s GLU 38 Ca -0.01 -0.92 -0.22 0.00 -0.41 0.00 0.00 54.97 53.41 3jud s GLU 38 Cb 0.10 -2.42 -0.10 0.00 -1.78 0.00 0.00 34.13 29.93 3jud s GLU 38 CO 0.82 0.53 0.97 -1.25 -0.49 0.00 0.00 175.26 175.84 3jud s PRO 39 N -2.21 4.19 0.07 0.39 0.04 -1.26 -4.66 135.00 131.55 3jud s PRO 39 Ca 0.23 1.21 0.02 0.00 0.04 0.00 0.00 61.00 62.50 3jud s PRO 39 Cb -0.11 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 3jud s PRO 39 CO 0.15 -0.07 -0.07 0.71 0.04 0.00 0.00 177.00 177.76 3jud s TYR 40 N -2.06 0.77 -0.19 0.56 2.02 -0.55 -0.66 117.35 117.24 3jud s TYR 40 Ca 0.61 -0.71 -0.28 0.00 -0.37 0.00 0.00 57.07 56.32 3jud s TYR 40 Cb -0.12 -0.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.99 3jud s TYR 40 CO 0.16 -0.12 0.99 -2.14 -1.57 0.00 0.00 175.55 172.87 3jud s PRO 41 N -2.69 4.30 -0.27 -1.71 0.02 -0.14 -2.14 135.00 132.36 3jud s PRO 41 Ca 0.01 1.30 -0.04 0.00 0.02 0.00 0.00 61.00 62.28 3jud s PRO 41 Cb -0.02 -3.61 0.02 0.00 0.02 0.00 0.00 34.50 30.91 3jud s PRO 41 CO -0.02 -0.51 0.01 -1.17 -0.33 0.00 0.00 177.00 174.98 3jud s LEU 42 N 2.75 3.50 0.10 -5.54 2.96 -1.26 -0.83 118.68 120.36 3jud s LEU 42 Ca 0.44 -0.79 0.07 0.00 -0.22 0.00 0.00 54.13 53.63 3jud s LEU 42 Cb -0.16 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3jud s LEU 42 CO 0.10 -0.16 -0.19 0.68 -1.32 0.00 0.00 176.35 175.47 3jud s VAL 43 N 1.41 1.56 -0.27 1.68 -7.23 -0.72 -0.89 120.40 115.93 3jud s VAL 43 Ca 0.01 -1.54 -0.14 0.00 -1.81 0.00 0.00 61.98 58.51 3jud s VAL 43 Cb -0.17 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 3jud s VAL 43 CO -0.01 -0.15 0.31 -0.63 -0.31 0.00 0.00 175.10 174.31 3jud s ILE 44 N -1.34 5.22 0.06 -0.62 1.01 -1.26 -0.43 121.20 123.84 3jud s ILE 44 Ca 0.06 0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.97 3jud s ILE 44 Cb -0.09 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.77 3jud s ILE 44 CO 0.04 0.19 0.40 0.00 0.00 0.00 0.00 174.94 175.57 3jud s ALA 45 N 1.94 -0.95 0.00 9.38 0.00 -0.77 -4.95 121.76 126.42 3jud s ALA 45 Ca 0.12 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.28 3jud s ALA 45 Cb -0.16 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.37 3jud s ALA 45 CO 0.10 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3jud n GLY 46 N 0.37 -1.01 0.34 0.00 0.00 -1.26 -3.23 105.19 100.40 3jud n GLY 46 Ca -0.18 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.30 3jud n GLY 46 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3jud h GLU 47 N 0.00 0.37 -0.02 1.61 4.81 -1.99 -1.88 114.58 117.48 3jud h GLU 47 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3jud h GLU 47 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3jud h GLU 47 CO 0.00 0.24 0.00 0.72 -0.73 0.00 0.00 179.01 179.24 3jud n HIS 48 N -4.47 0.00 -3.81 0.92 8.25 -1.26 -4.85 115.22 110.01 3jud n HIS 48 Ca 0.08 -0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.28 3jud n HIS 48 Cb 0.32 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.46 3jud n HIS 48 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3jud n ASN 49 N 0.66 -3.30 -4.77 0.41 3.02 -0.71 -1.48 115.26 109.09 3jud n ASN 49 Ca 0.17 -0.78 -0.39 0.00 -0.03 0.00 0.00 54.58 53.54 3jud n ASN 49 Cb 0.46 -4.02 -0.04 0.00 -0.61 0.00 0.00 39.78 35.57 3jud n ASN 49 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3jud s ILE 50 N -3.46 3.48 -0.01 2.41 1.01 -1.20 -4.47 121.20 118.96 3jud s ILE 50 Ca 0.37 1.37 -0.25 0.00 0.00 0.00 0.00 60.65 62.14 3jud s ILE 50 Cb -0.18 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3jud s ILE 50 CO 0.82 0.23 0.75 -2.16 0.00 0.00 0.00 174.94 174.58 3jud s PRO 51 N -1.83 4.47 -0.15 2.79 0.04 -1.26 -1.84 135.00 137.21 3jud s PRO 51 Ca 0.50 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.54 3jud s PRO 51 Cb -0.29 -3.41 0.02 0.00 0.04 0.00 0.00 34.50 30.86 3jud s PRO 51 CO 0.38 0.15 -0.15 -1.58 0.04 0.00 0.00 177.00 175.83 3jud s TRP 52 N 0.46 2.22 -0.81 0.56 0.52 0.43 -4.94 118.94 117.38 3jud s TRP 52 Ca 0.39 -1.25 -0.26 0.00 0.02 0.00 0.00 56.10 55.00 3jud s TRP 52 Cb -0.19 -1.62 0.03 0.00 -1.15 0.00 0.00 33.47 30.53 3jud s TRP 52 CO 0.21 -0.68 1.40 -1.17 0.02 0.00 0.00 176.95 176.73 3jud s LEU 53 N 1.44 3.26 0.28 2.99 2.96 -1.26 -1.76 118.68 126.59 3jud s LEU 53 Ca 0.04 -0.65 -0.29 0.00 -0.22 0.00 0.00 54.13 53.01 3jud s LEU 53 Cb -0.13 -2.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.91 3jud s LEU 53 CO -0.11 -1.83 1.20 -0.76 -1.32 0.00 0.00 176.35 173.53 3jud s LEU 54 N 5.98 4.48 -1.46 -0.68 1.43 0.13 -0.86 118.68 127.71 3jud s LEU 54 Ca 0.42 2.42 -0.12 0.00 -1.03 0.00 0.00 54.13 55.82 3jud s LEU 54 Cb -0.06 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.57 3jud s LEU 54 CO 0.08 -0.34 2.33 1.57 0.23 0.00 0.00 176.35 180.22 3jud n HIS 55 N 1.35 3.17 -3.06 0.29 -0.00 -0.10 -4.22 115.22 112.65 3jud n HIS 55 Ca 0.01 -2.96 -0.23 0.00 -0.00 0.00 0.00 57.72 54.53 3jud n HIS 55 Cb 0.44 -2.41 -0.04 0.00 -0.00 0.00 0.00 29.99 27.98 3jud n HIS 55 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3jud n LEU 56 N 5.01 2.86 -4.76 0.27 4.77 -1.26 -4.92 117.00 118.98 3jud n LEU 56 Ca 0.56 -5.38 -0.41 0.00 -0.03 0.00 0.00 56.01 50.74 3jud n LEU 56 Cb 0.35 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3jud n LEU 56 CO 0.87 2.32 1.08 -0.81 -1.33 0.00 0.00 177.39 179.52 3jud n PRO 57 N 0.01 2.54 -0.08 3.23 -0.04 -1.26 -2.44 135.00 136.96 3jud n PRO 57 Ca 0.28 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.63 3jud n PRO 57 Cb 0.51 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 3jud n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3jud n GLY 58 N 0.53 0.68 3.20 0.55 0.00 0.17 -4.99 105.19 105.33 3jud n GLY 58 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3jud n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jud s SER 59 N -2.66 0.16 0.58 1.61 1.04 -1.02 -4.92 113.70 108.48 3jud s SER 59 Ca 0.00 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.07 3jud s SER 59 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3jud s SER 59 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3jud n GLY 60 N -0.25 0.35 3.14 7.32 0.00 -1.26 -1.55 105.19 112.93 3jud n GLY 60 Ca 0.01 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 3jud n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jud s ARG 61 N 0.00 0.79 0.26 1.61 0.52 -0.91 -4.80 118.95 116.42 3jud s ARG 61 Ca 0.00 -1.33 -0.29 0.00 -0.52 0.00 0.00 55.73 53.58 3jud s ARG 61 Cb 0.00 0.05 -0.09 0.00 0.52 0.00 0.00 34.95 35.43 3jud s ARG 61 CO 0.00 -0.12 1.22 -0.51 0.02 0.00 0.00 175.30 175.91 3jud s LEU 62 N -3.01 4.47 -0.15 2.53 1.43 -1.26 -1.48 118.68 121.21 3jud s LEU 62 Ca 0.14 2.41 -0.03 0.00 -1.03 0.00 0.00 54.13 55.62 3jud s LEU 62 Cb 0.07 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 3jud s LEU 62 CO -0.05 -0.38 -0.04 -0.69 0.23 0.00 0.00 176.35 175.42 3jud s VAL 63 N -0.66 3.83 0.23 -1.59 1.01 -1.26 -4.56 120.40 117.40 3jud s VAL 63 Ca 0.50 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 3jud s VAL 63 Cb -0.35 -2.67 -0.08 0.00 0.00 0.00 0.00 36.38 33.28 3jud s VAL 63 CO 0.43 0.50 0.68 -1.61 0.00 0.00 0.00 175.10 175.10 3jud s GLU 64 N 0.30 4.12 0.00 2.72 0.41 0.07 -0.90 118.70 125.42 3jud s GLU 64 Ca -0.04 0.72 0.00 0.00 -0.41 0.00 0.00 54.97 55.24 3jud s GLU 64 Cb -0.14 -2.79 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 3jud s GLU 64 CO 0.03 0.36 0.00 0.41 -0.49 0.00 0.00 175.26 175.57 3jud n GLY 65 N 0.48 1.86 3.05 -1.39 0.00 -0.15 -4.68 105.19 104.37 3jud n GLY 65 Ca -0.02 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 3jud n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jud s GLU 66 N 0.80 1.05 -0.23 1.61 2.02 -0.09 -1.31 118.70 122.54 3jud s GLU 66 Ca 0.00 -0.40 -0.12 0.00 0.02 0.00 0.00 54.97 54.47 3jud s GLU 66 Cb 0.00 -0.99 -0.05 0.00 0.10 0.00 0.00 34.13 33.20 3jud s GLU 66 CO 0.00 0.20 0.23 0.08 0.02 0.00 0.00 175.26 175.79 3jud s VAL 67 N -0.08 5.31 -0.00 2.63 1.01 0.31 -0.68 120.40 128.91 3jud s VAL 67 Ca 0.01 0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.39 3jud s VAL 67 Cb -0.07 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3jud s VAL 67 CO 0.00 0.32 -0.24 -0.31 0.00 0.00 0.00 175.10 174.87 3jud s TYR 68 N 1.15 2.39 -0.23 5.22 2.02 -0.15 -0.42 117.35 127.33 3jud s TYR 68 Ca 0.11 -0.38 -0.20 0.00 -0.37 0.00 0.00 57.07 56.22 3jud s TYR 68 Cb -0.14 -1.49 -0.02 0.00 -0.40 0.00 0.00 41.96 39.91 3jud s TYR 68 CO 0.06 0.05 0.60 0.00 -1.57 0.00 0.00 175.55 174.68 3jud s ALA 69 N -0.70 3.58 0.13 3.71 0.00 0.14 -0.81 121.76 127.81 3jud s ALA 69 Ca 0.11 -0.40 0.11 0.00 0.00 0.00 0.00 51.96 51.78 3jud s ALA 69 Cb -0.10 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 3jud s ALA 69 CO 0.00 -0.66 -0.26 0.14 0.00 0.00 0.00 175.76 174.99 3jud s VAL 70 N 2.14 2.18 0.84 0.00 -7.23 -0.00 -0.80 120.40 117.53 3jud s VAL 70 Ca 0.26 -1.76 -0.09 0.00 -1.81 0.00 0.00 61.98 58.58 3jud s VAL 70 Cb -0.16 -1.95 0.16 0.00 0.56 0.00 0.00 36.38 34.99 3jud s VAL 70 CO 0.09 0.04 1.16 1.51 -0.31 0.00 0.00 175.10 177.58 3jud s ASP 71 N -2.12 3.80 0.32 4.85 -4.77 -0.93 -1.38 116.67 116.43 3jud s ASP 71 Ca 0.14 0.02 0.12 0.00 -3.30 0.00 0.00 52.55 49.53 3jud s ASP 71 Cb -0.10 -0.26 0.54 0.00 -1.09 0.00 0.00 42.92 42.01 3jud s ASP 71 CO 0.06 -2.26 1.71 -0.33 0.70 0.00 0.00 175.17 175.06 3jud h GLU 72 N -1.07 0.00 -0.23 2.11 4.39 -1.93 -1.23 114.58 116.61 3jud h GLU 72 Ca -0.41 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 3jud h GLU 72 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 3jud h GLU 72 CO 0.41 0.50 0.12 0.00 -1.16 0.00 0.00 179.01 178.88 3jud h ARG 73 N 0.00 0.33 -0.58 2.33 3.08 -1.94 -1.71 114.38 115.90 3jud h ARG 73 Ca -0.00 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 3jud h ARG 73 Cb 0.90 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 3jud h ARG 73 CO 0.06 0.32 -0.06 1.98 -1.07 0.00 0.00 179.97 181.20 3jud h MET 74 N 0.26 1.06 -0.69 0.04 4.05 -1.09 -1.74 114.93 116.81 3jud h MET 74 Ca 0.08 -0.37 -0.02 0.00 -0.28 0.00 0.00 59.70 59.11 3jud h MET 74 Cb 0.09 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.78 3jud h MET 74 CO -0.01 1.07 0.36 1.25 0.23 0.00 0.00 176.91 179.81 3jud h LEU 75 N 0.95 0.88 -0.74 3.39 5.85 -1.10 0.90 115.31 125.44 3jud h LEU 75 Ca 0.16 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3jud h LEU 75 Cb 0.64 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3jud h LEU 75 CO 0.04 0.74 0.15 0.03 -0.34 0.00 0.00 178.44 179.07 3jud h ARG 76 N 0.96 1.11 0.03 1.25 3.08 -1.15 -1.09 114.38 118.57 3jud h ARG 76 Ca 0.24 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3jud h ARG 76 Cb 0.07 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3jud h ARG 76 CO -0.04 0.99 -0.01 0.35 -1.07 0.00 0.00 179.97 180.19 3jud h PHE 77 N 1.05 -0.04 -0.87 3.04 3.57 -0.94 -2.89 116.94 119.86 3jud h PHE 77 Ca 0.22 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.74 3jud h PHE 77 Cb 0.39 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 3jud h PHE 77 CO 0.03 0.00 0.57 -0.07 -2.23 0.00 0.00 178.31 176.61 3jud h LEU 78 N -0.07 0.96 -0.62 0.59 3.38 -0.51 0.19 115.31 119.22 3jud h LEU 78 Ca -0.00 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.04 3jud h LEU 78 Cb 0.06 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 3jud h LEU 78 CO 0.01 0.67 0.26 0.44 0.09 0.00 0.00 178.44 179.91 3jud h ASP 79 N 1.12 0.30 0.28 -0.43 5.19 -1.10 -1.08 116.42 120.70 3jud h ASP 79 Ca 0.34 0.07 -0.21 0.00 -0.62 0.00 0.00 57.03 56.60 3jud h ASP 79 Cb -0.04 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3jud h ASP 79 CO -0.10 0.18 -0.86 0.44 -3.12 0.00 0.00 179.24 175.78 3jud h ASP 80 N 0.46 0.54 -0.74 6.45 3.32 -1.16 -1.27 116.42 124.02 3jud h ASP 80 Ca 0.31 -0.40 0.09 0.00 0.02 0.00 0.00 57.03 57.05 3jud h ASP 80 Cb 0.35 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 3jud h ASP 80 CO -0.28 1.18 0.49 0.15 -1.72 0.00 0.00 179.24 179.05 3jud h PHE 81 N 0.26 0.71 -0.45 4.55 3.57 -0.26 -1.51 116.94 123.82 3jud h PHE 81 Ca -0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3jud h PHE 81 Cb 1.48 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3jud h PHE 81 CO 0.06 0.34 0.00 1.04 -2.23 0.00 0.00 178.31 177.52 3jud n GLN 82 N -4.49 2.12 -3.40 1.11 1.13 -0.44 -4.95 117.38 108.45 3jud n GLN 82 Ca 0.12 -1.73 -0.25 0.00 -1.94 0.00 0.00 57.00 53.21 3jud n GLN 82 Cb 0.31 -1.39 0.04 0.00 0.11 0.00 0.00 30.24 29.31 3jud n GLN 82 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3jud n SER 83 N 0.91 -5.60 -4.80 1.08 7.64 -0.57 -3.34 113.62 108.94 3jud n SER 83 Ca 0.17 -0.46 -0.35 0.00 1.01 0.00 0.00 58.87 59.24 3jud n SER 83 Cb 0.42 -4.49 -0.04 0.00 -1.01 0.00 0.00 64.21 59.08 3jud n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jud n PRO 85 N -0.61 2.24 0.07 0.00 -0.04 -1.26 -4.84 135.00 130.57 3jud n PRO 85 Ca 0.07 -1.91 -0.14 0.00 -0.04 0.00 0.00 63.50 61.48 3jud n PRO 85 Cb 0.52 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 3jud n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jud h ALA 86 N 4.12 0.32 0.00 0.55 0.00 -1.77 -3.42 119.26 119.06 3jud h ALA 86 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3jud h ALA 86 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3jud h ALA 86 CO 0.00 0.83 -0.68 1.28 0.00 0.00 0.00 179.25 180.68 3jud n LEU 87 N -3.72 1.53 -4.97 0.00 4.77 -0.52 -5.00 117.00 109.10 3jud n LEU 87 Ca -0.07 0.25 -0.20 0.00 -0.03 0.00 0.00 56.01 55.96 3jud n LEU 87 Cb 0.86 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3jud n LEU 87 CO 0.52 -0.39 -0.00 -0.31 -1.33 0.00 0.00 177.39 175.87 3jud s TYR 88 N -2.49 3.28 0.03 -1.77 2.02 -1.21 -4.71 117.35 112.50 3jud s TYR 88 Ca -0.20 -0.11 0.08 0.00 -0.37 0.00 0.00 57.07 56.46 3jud s TYR 88 Cb 0.03 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 3jud s TYR 88 CO 0.29 0.24 -0.23 -0.65 -1.57 0.00 0.00 175.55 173.64 3jud s GLN 89 N -4.06 1.61 -0.38 -0.62 1.11 0.10 -4.04 119.66 113.38 3jud s GLN 89 Ca 0.39 -0.96 -0.24 0.00 0.01 0.00 0.00 55.36 54.56 3jud s GLN 89 Cb -0.09 -1.70 0.01 0.00 -1.01 0.00 0.00 33.01 30.22 3jud s GLN 89 CO 0.30 0.44 0.84 0.50 0.01 0.00 0.00 175.29 177.38 3jud s ARG 90 N -1.04 3.75 0.52 2.91 3.52 -1.26 -1.26 118.95 126.09 3jud s ARG 90 Ca 0.09 0.37 0.01 0.00 -0.13 0.00 0.00 55.73 56.07 3jud s ARG 90 Cb -0.09 -3.82 -0.01 0.00 -1.56 0.00 0.00 34.95 29.47 3jud s ARG 90 CO 0.01 -0.92 0.00 0.95 -0.81 0.00 0.00 175.30 174.53 3jud s THR 91 N 3.28 1.07 0.03 4.11 -4.23 -0.02 -4.94 115.64 114.94 3jud s THR 91 Ca 0.34 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.93 3jud s THR 91 Cb -0.12 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.61 3jud s THR 91 CO 0.18 0.00 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.35 3jud s VAL 92 N -2.90 2.44 0.25 2.29 1.01 -1.26 -0.78 120.40 121.45 3jud s VAL 92 Ca 0.03 -1.22 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 3jud s VAL 92 Cb 0.01 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 3jud s VAL 92 CO 0.01 0.40 0.49 -1.48 0.00 0.00 0.00 175.10 174.53 3jud s LEU 93 N -1.19 0.28 -0.10 3.92 2.34 -0.47 -4.94 118.68 118.52 3jud s LEU 93 Ca 0.12 -0.91 -0.02 0.00 0.06 0.00 0.00 54.13 53.38 3jud s LEU 93 Cb -0.10 1.83 -0.03 0.00 -0.56 0.00 0.00 46.19 47.33 3jud s LEU 93 CO 0.03 -1.15 -0.00 -0.13 -1.06 0.00 0.00 176.35 174.03 3jud s ARG 94 N -4.01 3.17 0.07 1.48 0.52 -1.26 -0.86 118.95 118.05 3jud s ARG 94 Ca 0.22 -0.42 0.08 0.00 -0.52 0.00 0.00 55.73 55.08 3jud s ARG 94 Cb -0.01 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 3jud s ARG 94 CO 0.09 0.59 -0.21 0.14 0.02 0.00 0.00 175.30 175.93 3jud s VAL 95 N -0.58 1.71 -0.01 3.52 -7.23 -0.33 -2.49 120.40 114.97 3jud s VAL 95 Ca 0.10 -1.37 -0.25 0.00 -1.81 0.00 0.00 61.98 58.64 3jud s VAL 95 Cb -0.12 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 3jud s VAL 95 CO 0.02 0.08 0.78 -1.58 -0.31 0.00 0.00 175.10 174.09 3jud s GLN 96 N -1.53 4.48 0.05 4.82 0.74 0.58 -0.95 119.66 127.85 3jud s GLN 96 Ca 0.07 1.05 -0.27 0.00 0.05 0.00 0.00 55.36 56.27 3jud s GLN 96 Cb -0.09 -3.42 -0.05 0.00 1.10 0.00 0.00 33.01 30.55 3jud s GLN 96 CO 0.03 0.12 0.85 -0.51 -0.55 0.00 0.00 175.29 175.23 3jud s LEU 97 N 0.55 4.44 -0.28 3.68 1.43 0.27 -1.17 118.68 127.60 3jud s LEU 97 Ca 0.41 1.56 -0.08 0.00 -1.03 0.00 0.00 54.13 54.99 3jud s LEU 97 Cb -0.19 -3.37 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 3jud s LEU 97 CO 0.22 -0.06 0.10 -0.76 0.23 0.00 0.00 176.35 176.07 3jud s LEU 98 N 0.21 3.76 0.00 1.79 1.43 -0.34 -4.89 118.68 120.63 3jud s LEU 98 Ca 0.43 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3jud s LEU 98 Cb -0.21 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3jud s LEU 98 CO 0.25 -0.13 0.00 -1.84 0.23 0.00 0.00 176.35 174.87 3jud n GLU 99 N 4.93 0.00 -0.37 1.70 -0.00 -1.26 -4.40 120.64 121.23 3jud n GLU 99 Ca -0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 57.16 57.01 3jud n GLU 99 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 31.44 31.94 3jud n GLU 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3jud n GLU 106 N 0.00 0.00 -4.15 3.44 4.71 -1.26 -5.13 120.64 118.25 3jud n GLU 106 Ca 0.00 -0.01 -0.27 0.00 -0.01 0.00 0.00 57.16 56.87 3jud n GLU 106 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 31.44 30.27 3jud n GLU 106 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3jud s GLU 107 N 0.00 1.86 0.61 3.49 8.01 -1.26 -1.58 118.70 129.83 3jud s GLU 107 Ca 0.00 -0.41 -0.16 0.00 0.01 0.00 0.00 54.97 54.41 3jud s GLU 107 Cb 0.00 -1.73 -0.03 0.00 -4.31 0.00 0.00 34.13 28.06 3jud s GLU 107 CO 0.00 -0.17 1.09 -1.25 0.01 0.00 0.00 175.26 174.94 3jud s PRO 108 N 1.35 3.11 0.86 0.39 0.04 -1.26 -5.14 135.00 134.35 3jud s PRO 108 Ca -0.01 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 3jud s PRO 108 Cb -0.14 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.52 3jud s PRO 108 CO -0.06 -1.00 1.11 -1.25 0.04 0.00 0.00 177.00 175.84 3jud s PRO 109 N -3.89 1.54 0.28 0.56 0.04 -0.62 -5.00 135.00 127.92 3jud s PRO 109 Ca 0.67 0.51 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 3jud s PRO 109 Cb -0.20 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 3jud s PRO 109 CO 0.36 -1.97 1.22 0.00 0.04 0.00 0.00 177.00 176.65 3jud s ALA 110 N -3.17 3.46 0.48 8.56 0.00 -1.26 -4.99 121.76 124.83 3jud s ALA 110 Ca 0.62 1.07 -0.21 0.00 0.00 0.00 0.00 51.96 53.45 3jud s ALA 110 Cb -0.15 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 3jud s ALA 110 CO 0.54 -0.42 0.57 -2.30 0.00 0.00 0.00 175.76 174.15 3jud n PRO 111 N 1.41 0.61 -0.01 0.00 -0.02 -1.26 -4.93 135.00 130.79 3jud n PRO 111 Ca 0.01 0.23 0.01 0.00 -2.02 0.00 0.00 63.50 61.72 3jud n PRO 111 Cb 0.43 -1.61 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 3jud n PRO 111 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3jud n THR 112 N -1.14 0.90 -3.95 3.45 -2.24 -1.26 -4.97 114.28 105.08 3jud n THR 112 Ca 0.11 -0.92 -0.09 0.00 -2.27 0.00 0.00 64.05 60.88 3jud n THR 112 Cb 0.42 0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 69.09 3jud n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jud s ALA 113 N -0.97 0.01 -0.06 6.98 0.00 -1.26 -0.57 121.76 125.90 3jud s ALA 113 Ca 0.02 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 3jud s ALA 113 Cb 0.02 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.44 3jud s ALA 113 CO 0.00 -0.34 0.34 0.54 0.00 0.00 0.00 175.76 176.31 3jud s VAL 114 N -2.87 0.03 0.07 0.00 0.11 -0.13 -4.91 120.40 112.70 3jud s VAL 114 Ca -0.03 -0.27 -0.28 0.00 -2.93 0.00 0.00 61.98 58.47 3jud s VAL 114 Cb 0.00 -0.59 -0.05 0.00 -1.53 0.00 0.00 36.38 34.22 3jud s VAL 114 CO -0.06 -0.15 0.90 -1.58 -3.33 0.00 0.00 175.10 170.89 3jud s GLN 115 N -0.72 4.61 0.06 1.54 0.74 -1.26 -1.19 119.66 123.43 3jud s GLN 115 Ca -0.08 1.32 0.00 0.00 0.05 0.00 0.00 55.36 56.65 3jud s GLN 115 Cb -0.04 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 3jud s GLN 115 CO 0.03 0.18 -0.04 0.00 -0.55 0.00 0.00 175.29 174.90 3jud s PHE 117 N -3.20 3.45 0.05 0.00 0.08 -0.00 -1.36 117.98 116.99 3jud s PHE 117 Ca 0.03 1.41 -0.12 0.00 0.12 0.00 0.00 56.93 58.37 3jud s PHE 117 Cb 0.03 -2.79 0.01 0.00 -0.57 0.00 0.00 43.02 39.70 3jud s PHE 117 CO -0.06 -0.58 0.27 0.54 -0.10 0.00 0.00 175.22 175.28 3jud s VAL 118 N -2.81 0.09 -0.42 -0.44 0.11 0.04 -0.59 120.40 116.37 3jud s VAL 118 Ca 0.58 -0.76 -0.16 0.00 -2.93 0.00 0.00 61.98 58.71 3jud s VAL 118 Cb -0.11 -0.95 0.03 0.00 -1.53 0.00 0.00 36.38 33.81 3jud s VAL 118 CO 0.40 -0.42 0.38 -0.31 -3.33 0.00 0.00 175.10 171.82 3jud s TYR 119 N -2.64 3.20 0.46 1.54 2.02 -1.26 -0.84 117.35 119.83 3jud s TYR 119 Ca -0.04 -0.52 0.06 0.00 -0.37 0.00 0.00 57.07 56.19 3jud s TYR 119 Cb -0.01 -2.79 -0.03 0.00 -0.40 0.00 0.00 41.96 38.74 3jud s TYR 119 CO -0.04 -0.67 0.18 -1.54 -1.57 0.00 0.00 175.55 171.92 3jud s SER 120 N 1.83 4.38 -0.11 2.29 1.04 -0.39 -4.49 113.70 118.25 3jud s SER 120 Ca 0.08 -1.25 -0.01 0.00 0.48 0.00 0.00 55.95 55.25 3jud s SER 120 Cb -0.19 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 65.90 3jud s SER 120 CO 0.11 -0.73 -0.01 -0.60 0.98 0.00 0.00 173.24 173.00 3jud s ARG 121 N -3.97 0.83 0.04 4.02 3.52 -0.04 -0.72 118.95 122.63 3jud s ARG 121 Ca 0.32 -0.11 0.15 0.00 -0.13 0.00 0.00 55.73 55.97 3jud s ARG 121 Cb 0.02 -1.39 -0.16 0.00 -1.56 0.00 0.00 34.95 31.87 3jud s ARG 121 CO 0.18 -0.38 0.81 0.00 -0.81 0.00 0.00 175.30 175.10 3jud h ALA 122 N 8.27 0.68 -3.19 6.12 0.00 -1.88 -0.23 119.26 129.03 3jud h ALA 122 Ca -0.21 -1.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.05 3jud h ALA 122 Cb 1.12 0.32 -0.34 0.00 0.00 0.00 0.00 17.79 18.89 3jud h ALA 122 CO 0.31 1.10 -0.86 0.99 0.00 0.00 0.00 179.25 180.79 3jud s THR 123 N -2.83 1.89 0.16 0.00 2.01 -1.26 -4.85 115.64 110.76 3jud s THR 123 Ca -0.03 -0.87 -0.21 0.00 0.31 0.00 0.00 61.69 60.89 3jud s THR 123 Cb 0.08 -1.69 0.06 0.00 0.01 0.00 0.00 72.50 70.96 3jud s THR 123 CO 0.81 0.52 0.57 0.72 -0.69 0.00 0.00 174.62 176.55 3jud s PHE 124 N 0.96 -0.43 0.13 4.92 -0.12 -1.26 -5.08 117.98 117.10 3jud s PHE 124 Ca -0.05 0.17 -0.34 0.00 -0.05 0.00 0.00 56.93 56.67 3jud s PHE 124 Cb -0.15 0.51 -0.13 0.00 -0.63 0.00 0.00 43.02 42.61 3jud s PHE 124 CO -0.04 -0.86 1.63 -2.30 -0.05 0.00 0.00 175.22 173.60 3jud n PRO 125 N -0.36 2.17 -0.13 1.99 -0.02 -1.26 -4.83 135.00 132.57 3jud n PRO 125 Ca -0.15 0.79 0.10 0.00 -2.02 0.00 0.00 63.50 62.21 3jud n PRO 125 Cb 0.64 -2.57 0.45 0.00 -0.02 0.00 0.00 33.50 32.00 3jud n PRO 125 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jud h PRO 126 N 6.43 0.52 0.00 0.52 0.11 -2.03 0.30 132.00 137.86 3jud h PRO 126 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jud h PRO 126 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3jud h PRO 126 CO 0.90 0.34 0.00 0.93 -0.21 0.00 0.00 178.00 179.96 3jud h GLU 127 N 0.54 0.00 -0.13 1.05 3.07 -2.02 -2.27 114.58 114.82 3jud h GLU 127 Ca 0.30 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.20 3jud h GLU 127 Cb 0.48 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3jud h GLU 127 CO -0.10 0.00 0.09 -1.49 -1.40 0.00 0.00 179.01 176.12 3jud h TRP 128 N 0.00 0.00 0.00 4.33 4.06 -1.28 -1.59 115.95 121.46 3jud h TRP 128 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 3jud h TRP 128 Cb 0.20 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.36 3jud h TRP 128 CO 0.00 0.00 -0.02 0.00 -3.56 0.00 0.00 178.44 174.86 3jud h ALA 129 N 1.93 1.07 -0.02 1.49 0.00 -1.59 -2.34 119.26 119.79 3jud h ALA 129 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3jud h ALA 129 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3jud h ALA 129 CO -0.00 0.02 -0.11 1.04 0.00 0.00 0.00 179.25 180.20 3jud n GLN 130 N -3.20 1.96 -0.71 0.00 1.13 -0.60 -4.96 117.38 110.99 3jud n GLN 130 Ca -0.02 -1.56 -0.29 0.00 -1.94 0.00 0.00 57.00 53.19 3jud n GLN 130 Cb 0.16 -1.47 0.21 0.00 0.11 0.00 0.00 30.24 29.26 3jud n GLN 130 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3jud s LEU 131 N -2.12 1.53 0.24 1.08 1.43 -0.88 -4.90 118.68 115.06 3jud s LEU 131 Ca 0.27 1.64 -0.31 0.00 -1.03 0.00 0.00 54.13 54.70 3jud s LEU 131 Cb 0.20 -3.75 -0.13 0.00 0.03 0.00 0.00 46.19 42.54 3jud s LEU 131 CO 0.37 -3.68 1.53 -2.65 0.23 0.00 0.00 176.35 172.15 3jud n PRO 132 N -4.58 2.35 -3.27 1.29 -0.02 -1.26 -4.95 135.00 124.57 3jud n PRO 132 Ca 0.06 0.84 -0.38 0.00 -2.02 0.00 0.00 63.50 61.99 3jud n PRO 132 Cb 0.54 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 3jud n PRO 132 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3jud s HIS 133 N 0.22 3.62 -0.02 6.00 3.76 -1.26 -4.45 115.29 123.15 3jud s HIS 133 Ca 0.69 1.07 0.00 0.00 -0.15 0.00 0.00 55.06 56.67 3jud s HIS 133 Cb -0.59 -2.56 -0.04 0.00 1.11 0.00 0.00 32.58 30.50 3jud s HIS 133 CO 0.46 0.30 0.02 -1.01 -0.85 0.00 0.00 174.74 173.66 3jud s HIS 134 N 0.06 3.15 -0.09 1.40 3.76 -0.07 -4.96 115.29 118.54 3jud s HIS 134 Ca 0.29 0.14 0.06 0.00 -0.15 0.00 0.00 55.06 55.40 3jud s HIS 134 Cb -0.17 -1.72 -0.24 0.00 1.11 0.00 0.00 32.58 31.56 3jud s HIS 134 CO 0.14 0.49 0.50 -0.40 -0.85 0.00 0.00 174.74 174.62 3jud n ASP 135 N 1.53 1.32 -3.66 1.40 5.75 -1.26 -4.39 116.55 117.23 3jud n ASP 135 Ca -0.15 0.30 -0.17 0.00 -0.01 0.00 0.00 54.79 54.76 3jud n ASP 135 Cb 0.53 -0.31 -0.16 0.00 -1.03 0.00 0.00 41.12 40.15 3jud n ASP 135 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3jud s SER 136 N -6.42 0.82 0.18 -1.12 0.15 -1.26 -0.75 113.70 105.30 3jud s SER 136 Ca -0.12 0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.53 3jud s SER 136 Cb 0.07 0.25 -0.08 0.00 -1.71 0.00 0.00 66.02 64.55 3jud s SER 136 CO 0.80 -0.25 0.90 -0.47 1.20 0.00 0.00 173.24 175.42 3jud s TYR 137 N 2.29 3.92 -0.11 3.44 5.04 -1.26 -5.06 117.35 125.61 3jud s TYR 137 Ca 0.03 1.81 -0.04 0.00 -2.44 0.00 0.00 57.07 56.43 3jud s TYR 137 Cb -0.12 -2.94 0.05 0.00 0.35 0.00 0.00 41.96 39.30 3jud s TYR 137 CO -0.06 0.40 0.22 0.34 -1.34 0.00 0.00 175.55 175.12 3jud s ASP 138 N -0.84 0.23 0.33 4.32 2.15 -1.26 -4.92 116.67 116.68 3jud s ASP 138 Ca 0.41 0.49 0.07 0.00 0.43 0.00 0.00 52.55 53.95 3jud s ASP 138 Cb -0.24 0.48 0.77 0.00 -0.30 0.00 0.00 42.92 43.62 3jud s ASP 138 CO 0.30 -0.21 1.84 -1.28 -0.17 0.00 0.00 175.17 175.64 3jud h SER 139 N 7.91 0.72 -0.55 -0.34 0.87 -1.94 -0.83 113.55 119.39 3jud h SER 139 Ca -0.24 0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.24 3jud h SER 139 Cb 1.13 -0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.92 3jud h SER 139 CO 0.23 0.34 0.17 -0.62 -0.53 0.00 0.00 176.83 176.42 3jud n GLU 140 N -4.61 3.30 -1.53 2.24 -0.58 -1.26 -3.71 120.64 114.48 3jud n GLU 140 Ca 0.19 -2.37 -0.27 0.00 -0.42 0.00 0.00 57.16 54.29 3jud n GLU 140 Cb 0.49 -2.02 0.20 0.00 -0.57 0.00 0.00 31.44 29.54 3jud n GLU 140 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3jud n GLY 141 N 0.06 -1.85 0.15 0.62 0.00 -0.32 -4.92 105.19 98.92 3jud n GLY 141 Ca 0.30 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.80 3jud n GLY 141 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jud h PRO 142 N 0.00 0.00 0.00 1.61 0.10 -1.94 -2.40 132.00 129.38 3jud h PRO 142 Ca -0.39 0.00 -0.04 0.00 0.10 0.00 0.00 66.00 65.67 3jud h PRO 142 Cb 1.11 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.21 3jud h PRO 142 CO 0.27 0.00 -0.19 1.12 0.10 0.00 0.00 178.00 179.30 3jud h HIS 143 N 0.00 0.00 0.00 0.65 2.07 -1.92 -3.47 115.15 112.48 3jud h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jud h HIS 143 Cb 0.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.34 3jud h HIS 143 CO 0.00 0.19 0.00 0.41 -3.07 0.00 0.00 177.93 175.46 3jud n GLY 144 N -0.55 0.78 3.03 6.13 0.00 -0.90 -4.95 105.19 108.73 3jud n GLY 144 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3jud n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jud n LEU 145 N 0.00 6.25 -4.76 0.99 4.77 -1.26 -4.99 117.00 118.00 3jud n LEU 145 Ca 0.00 -4.62 -0.41 0.00 -0.03 0.00 0.00 56.01 50.95 3jud n LEU 145 Cb 0.01 -1.51 -0.02 0.00 -2.33 0.00 0.00 43.42 39.57 3jud n LEU 145 CO 0.00 1.22 1.06 -0.13 -1.33 0.00 0.00 177.39 178.21 3jud s ARG 146 N 0.57 4.28 0.33 3.23 0.52 -1.24 -4.88 118.95 121.76 3jud s ARG 146 Ca 0.40 2.31 -0.29 0.00 -0.52 0.00 0.00 55.73 57.63 3jud s ARG 146 Cb 0.06 -3.07 -0.12 0.00 0.52 0.00 0.00 34.95 32.34 3jud s ARG 146 CO 0.01 -0.35 1.48 0.98 0.02 0.00 0.00 175.30 177.44 3jud n TYR 147 N 1.48 2.75 -3.50 -0.53 9.36 -1.26 -4.68 117.16 120.78 3jud n TYR 147 Ca 0.03 0.41 -0.10 0.00 3.32 0.00 0.00 57.90 61.56 3jud n TYR 147 Cb 0.41 -2.52 -0.10 0.00 -0.63 0.00 0.00 39.34 36.50 3jud n TYR 147 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3jud s ASN 148 N 0.06 0.20 0.00 2.98 3.84 -0.55 -5.01 114.94 116.46 3jud s ASN 148 Ca 0.58 0.48 0.15 0.00 0.21 0.00 0.00 52.86 54.28 3jud s ASN 148 Cb -0.51 1.06 0.77 0.00 -0.55 0.00 0.00 41.25 42.02 3jud s ASN 148 CO 0.58 -0.27 1.51 -0.81 -2.79 0.00 0.00 177.10 175.32 3jud n PRO 149 N 5.37 1.18 0.03 0.43 -0.04 -1.26 -4.06 135.00 136.64 3jud n PRO 149 Ca -0.06 -0.27 0.01 0.00 -0.04 0.00 0.00 63.50 63.14 3jud n PRO 149 Cb 0.50 -1.25 0.34 0.00 -0.04 0.00 0.00 33.50 33.05 3jud n PRO 149 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3jud h ARG 150 N 0.52 0.46 0.00 0.54 0.11 -1.96 -3.51 114.38 110.54 3jud h ARG 150 Ca 0.00 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.00 3jud h ARG 150 Cb 0.11 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.12 3jud h ARG 150 CO 0.00 0.47 0.00 0.39 0.10 0.00 0.00 179.97 180.93