#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpi s PHE 2 N 0.00 2.88 -0.13 3.17 0.08 -0.00 -4.78 117.98 119.20 2jpi s PHE 2 Ca 0.00 0.54 -0.05 0.00 0.12 0.00 0.00 56.93 57.53 2jpi s PHE 2 Cb 0.00 -3.32 0.06 0.00 -0.57 0.00 0.00 43.02 39.18 2jpi s PHE 2 CO 0.00 -1.58 0.28 0.50 -0.10 0.00 0.00 175.22 174.32 2jpi s ARG 3 N -5.38 0.20 0.32 0.44 6.06 -0.78 -3.21 118.95 116.60 2jpi s ARG 3 Ca 0.61 0.68 0.10 0.00 -2.50 0.00 0.00 55.73 54.62 2jpi s ARG 3 Cb -0.11 -0.05 -0.05 0.00 0.06 0.00 0.00 34.95 34.80 2jpi s ARG 3 CO 0.46 -0.22 -0.03 0.45 -2.50 0.00 0.00 175.30 173.47 2jpi s SER 4 N 1.86 4.14 -0.10 -2.12 0.15 -1.26 -3.37 113.70 113.00 2jpi s SER 4 Ca -0.04 -0.95 -0.05 0.00 0.70 0.00 0.00 55.95 55.61 2jpi s SER 4 Cb -0.11 -0.54 0.05 0.00 -1.71 0.00 0.00 66.02 63.71 2jpi s SER 4 CO -0.09 -0.15 0.23 0.42 1.20 0.00 0.00 173.24 174.84 2jpi s THR 5 N -2.49 -0.16 -0.15 6.45 -4.23 -1.26 -3.48 115.64 110.33 2jpi s THR 5 Ca 0.33 0.21 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 2jpi s THR 5 Cb -0.02 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.42 2jpi s THR 5 CO 0.19 0.09 -0.02 -0.55 -0.54 0.00 0.00 174.62 173.78 2jpi s SER 6 N 1.65 4.96 -0.13 3.99 0.15 -0.35 -3.77 113.70 120.21 2jpi s SER 6 Ca -0.05 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.54 2jpi s SER 6 Cb -0.11 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.44 2jpi s SER 6 CO -0.08 0.20 -0.17 -2.28 1.20 0.00 0.00 173.24 172.11 2jpi s HIS 7 N 0.19 2.72 0.03 3.44 2.46 -1.26 -1.30 115.29 121.57 2jpi s HIS 7 Ca -0.01 -0.86 -0.00 0.00 0.47 0.00 0.00 55.06 54.66 2jpi s HIS 7 Cb -0.13 -1.81 -0.03 0.00 -0.13 0.00 0.00 32.58 30.48 2jpi s HIS 7 CO 0.02 -0.34 -0.03 0.08 -2.47 0.00 0.00 174.74 172.01 2jpi s VAL 8 N 0.44 0.16 -0.46 0.89 1.01 -1.04 -4.25 120.40 117.16 2jpi s VAL 8 Ca -0.12 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.49 2jpi s VAL 8 Cb -0.16 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.59 2jpi s VAL 8 CO 0.06 -0.66 0.38 -0.13 0.00 0.00 0.00 175.10 174.74 2jpi s ARG 9 N -2.28 2.97 0.13 2.72 3.00 -1.26 -2.29 118.95 121.94 2jpi s ARG 9 Ca -0.08 -1.30 0.05 0.00 0.00 0.00 0.00 55.73 54.41 2jpi s ARG 9 Cb -0.04 -4.10 -0.04 0.00 0.00 0.00 0.00 34.95 30.77 2jpi s ARG 9 CO -0.04 -0.98 -0.13 -0.08 0.00 0.00 0.00 175.30 174.08 2jpi s THR 10 N 1.64 1.29 0.00 0.02 -1.32 -1.08 -4.98 115.64 111.22 2jpi s THR 10 Ca 0.04 -1.85 -0.00 0.00 -1.21 0.00 0.00 61.69 58.67 2jpi s THR 10 Cb -0.23 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 2jpi s THR 10 CO 0.07 -0.54 0.08 -1.61 -2.21 0.00 0.00 174.62 170.41 2jpi s GLU 11 N -3.08 3.04 -1.87 7.08 2.02 -1.26 -2.08 118.70 122.54 2jpi s GLU 11 Ca 0.12 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2jpi s GLU 11 Cb -0.02 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.37 2jpi s GLU 11 CO 0.02 0.64 0.00 0.45 0.02 0.00 0.00 175.26 176.39 2jpi n SER 12 N 1.15 -5.62 -0.07 -0.19 2.88 0.49 -4.89 113.62 107.38 2jpi n SER 12 Ca -0.13 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.51 2jpi n SER 12 Cb 0.53 -4.78 -0.01 0.00 -0.75 0.00 0.00 64.21 59.20 2jpi n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jpi h ALA 13 N 0.68 -0.07 -1.14 -1.46 0.00 -1.70 -2.54 119.26 113.03 2jpi h ALA 13 Ca -0.46 0.09 0.33 0.00 0.00 0.00 0.00 54.91 54.88 2jpi h ALA 13 Cb 1.34 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 2jpi h ALA 13 CO 0.58 -0.64 1.16 0.00 0.00 0.00 0.00 179.25 180.35 2jpi h ALA 14 N 0.89 3.05 0.25 0.00 0.00 -1.53 0.38 119.26 122.30 2jpi h ALA 14 Ca 0.15 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.68 2jpi h ALA 14 Cb 0.45 0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.36 2jpi h ALA 14 CO -0.41 -1.75 -1.52 -0.09 0.00 0.00 0.00 179.25 175.48 2jpi h ARG 15 N 0.00 0.52 0.00 0.00 1.12 -1.75 -2.73 114.38 111.54 2jpi h ARG 15 Ca 0.54 -0.89 -0.02 0.00 -1.11 0.00 0.00 59.98 58.50 2jpi h ARG 15 Cb 2.85 0.33 -0.00 0.00 -0.01 0.00 0.00 29.97 33.14 2jpi h ARG 15 CO -0.01 1.42 -0.11 1.88 -3.11 0.00 0.00 179.97 180.05 2jpi h TYR 16 N 0.14 0.00 0.06 2.20 0.05 -0.35 0.20 116.97 119.27 2jpi h TYR 16 Ca -0.27 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.41 2jpi h TYR 16 Cb 2.16 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.91 2jpi h TYR 16 CO 0.12 0.11 -0.45 0.28 -1.05 0.00 0.00 178.16 177.17 2jpi h VAL 17 N 0.00 1.59 0.00 -2.88 2.07 -1.49 -3.09 116.25 112.44 2jpi h VAL 17 Ca -0.00 -2.30 -0.07 0.00 0.82 0.00 0.00 66.70 65.15 2jpi h VAL 17 Cb 0.36 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 2jpi h VAL 17 CO 0.01 0.63 -0.33 0.78 0.02 0.00 0.00 177.57 178.69 2jpi h ASN 18 N -0.53 0.00 1.55 0.57 -0.26 -1.14 -2.69 115.58 113.08 2jpi h ASN 18 Ca -0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 2jpi h ASN 18 Cb 1.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 2jpi h ASN 18 CO 0.09 0.33 0.00 -0.09 -1.06 0.00 0.00 177.43 176.69 2jpi h ARG 19 N 0.00 0.00 -0.09 0.81 2.43 -0.68 -3.30 114.38 113.56 2jpi h ARG 19 Ca -0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2jpi h ARG 19 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2jpi h ARG 19 CO 0.04 0.00 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.22 2jpi h LEU 20 N 0.00 0.34 -1.72 3.80 3.38 -1.39 -1.18 115.31 118.54 2jpi h LEU 20 Ca 0.00 -0.58 0.12 0.00 0.09 0.00 0.00 57.88 57.51 2jpi h LEU 20 Cb 0.78 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2jpi h LEU 20 CO 0.00 0.86 0.41 0.00 0.09 0.00 0.00 178.44 179.80 2jpi h LYS 22 N 0.30 0.00 0.00 0.00 1.57 -1.67 -2.14 116.57 114.62 2jpi h LYS 22 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2jpi h LYS 22 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2jpi h LYS 22 CO -0.07 0.05 -0.22 1.25 -0.57 0.00 0.00 179.45 179.89 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.11 -3.40 115.15 113.27 2jpi h HIS 23 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2jpi h HIS 23 Cb 1.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.01 2jpi h HIS 23 CO 0.00 0.00 -0.49 0.91 -1.30 0.00 0.00 177.93 177.05 2jpi n TRP 24 N -4.52 0.15 -0.77 5.26 7.02 0.12 -4.56 117.44 120.14 2jpi n TRP 24 Ca -0.03 0.04 -0.26 0.00 -1.02 0.00 0.00 57.50 56.23 2jpi n TRP 24 Cb 0.12 -0.38 -0.03 0.00 -2.42 0.00 0.00 31.31 28.60 2jpi n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jpi n GLY 25 N 1.46 2.78 0.05 6.99 0.00 -0.81 -3.96 105.19 111.70 2jpi n GLY 25 Ca 0.05 -0.88 -0.05 0.00 0.00 0.00 0.00 46.02 45.14 2jpi n GLY 25 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jpi n HIS 26 N 5.22 0.00 -2.07 1.61 -0.00 -1.26 -4.78 115.22 113.94 2jpi n HIS 26 Ca 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 58.13 2jpi n HIS 26 Cb 0.19 -0.48 -0.01 0.00 -0.00 0.00 0.00 29.99 29.70 2jpi n HIS 26 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2jpi n LYS 27 N -2.38 0.00 -4.12 1.57 0.00 -1.25 -5.12 118.16 106.86 2jpi n LYS 27 Ca -0.16 -0.77 -0.09 0.00 0.00 0.00 0.00 58.31 57.29 2jpi n LYS 27 Cb 0.81 -0.09 -0.10 0.00 0.00 0.00 0.00 35.03 35.65 2jpi n LYS 27 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2jpi s PHE 28 N 0.00 0.69 -0.60 5.64 0.08 -1.26 -5.10 117.98 117.42 2jpi s PHE 28 Ca 0.05 -1.06 -0.26 0.00 0.12 0.00 0.00 56.93 55.78 2jpi s PHE 28 Cb 0.05 -0.45 0.04 0.00 -0.57 0.00 0.00 43.02 42.09 2jpi s PHE 28 CO -0.02 -0.34 1.11 -1.83 -0.10 0.00 0.00 175.22 174.04 2jpi s GLU 29 N -3.92 3.38 -0.24 0.44 1.03 -1.26 -4.74 118.70 113.38 2jpi s GLU 29 Ca 0.12 -0.05 -0.00 0.00 0.03 0.00 0.00 54.97 55.06 2jpi s GLU 29 Cb 0.07 -4.06 0.03 0.00 -0.80 0.00 0.00 34.13 29.37 2jpi s GLU 29 CO -0.06 -1.70 -0.09 0.14 -1.33 0.00 0.00 175.26 172.22 2jpi s VAL 30 N 4.70 2.60 0.01 1.83 -7.23 -1.25 -3.27 120.40 117.79 2jpi s VAL 30 Ca 0.36 -1.15 -0.13 0.00 -1.81 0.00 0.00 61.98 59.25 2jpi s VAL 30 Cb -0.10 -2.34 -0.06 0.00 0.56 0.00 0.00 36.38 34.45 2jpi s VAL 30 CO 0.21 0.19 0.39 -1.61 -0.31 0.00 0.00 175.10 173.98 2jpi s GLU 31 N 1.27 3.86 -0.26 4.82 2.02 0.08 -4.93 118.70 125.56 2jpi s GLU 31 Ca -0.01 0.34 0.02 0.00 0.02 0.00 0.00 54.97 55.34 2jpi s GLU 31 Cb -0.17 -3.17 0.07 0.00 0.10 0.00 0.00 34.13 30.96 2jpi s GLU 31 CO -0.06 0.67 -0.06 -1.17 0.02 0.00 0.00 175.26 174.66 2jpi s LEU 32 N -1.25 3.22 0.29 1.80 0.20 -1.26 -2.32 118.68 119.36 2jpi s LEU 32 Ca 0.25 -1.41 0.07 0.00 0.69 0.00 0.00 54.13 53.73 2jpi s LEU 32 Cb -0.16 -1.39 -0.06 0.00 -0.43 0.00 0.00 46.19 44.15 2jpi s LEU 32 CO 0.14 -0.24 -0.05 0.42 -0.29 0.00 0.00 176.35 176.33 2jpi s THR 33 N 1.21 1.64 0.00 3.68 -4.23 -1.20 -5.02 115.64 111.71 2jpi s THR 33 Ca -0.05 -2.12 -0.05 0.00 -1.18 0.00 0.00 61.69 58.30 2jpi s THR 33 Cb -0.19 -2.49 -0.21 0.00 1.34 0.00 0.00 72.50 70.95 2jpi s THR 33 CO -0.06 -0.27 3.15 -0.81 -0.54 0.00 0.00 174.62 176.08 2jpi n PRO 34 N -0.60 1.70 0.00 3.99 -0.04 -1.26 -3.26 135.00 135.53 2jpi n PRO 34 Ca -0.05 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 2jpi n PRO 34 Cb 0.64 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 2jpi n PRO 34 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jpi n GLU 35 N 2.36 0.00 -3.69 0.54 -0.58 -1.26 -5.05 120.64 112.96 2jpi n GLU 35 Ca 0.33 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.05 2jpi n GLU 35 Cb 0.79 -0.12 -0.01 0.00 -0.57 0.00 0.00 31.44 31.53 2jpi n GLU 35 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2jpi s ARG 36 N -1.06 0.85 -0.26 3.49 1.70 -1.20 -1.98 118.95 120.48 2jpi s ARG 36 Ca 0.00 -0.46 -0.07 0.00 -0.47 0.00 0.00 55.73 54.73 2jpi s ARG 36 Cb 0.00 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 2jpi s ARG 36 CO 0.00 -0.39 0.08 0.20 -1.08 0.00 0.00 175.30 174.11 2jpi s GLY 37 N -2.92 1.77 -0.25 3.88 0.00 -0.62 -3.25 107.32 105.94 2jpi s GLY 37 Ca 0.13 -1.23 -0.11 0.00 0.00 0.00 0.00 44.72 43.50 2jpi s GLY 37 CO -0.01 0.57 0.18 -0.12 0.00 0.00 0.00 173.10 173.73 2jpi s PHE 38 N 1.58 3.30 -0.26 1.90 5.36 -0.98 -2.17 117.98 126.71 2jpi s PHE 38 Ca 0.05 0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 56.22 2jpi s PHE 38 Cb -0.16 -2.31 0.09 0.00 -0.34 0.00 0.00 43.02 40.30 2jpi s PHE 38 CO 0.03 0.02 0.10 0.42 -1.46 0.00 0.00 175.22 174.33 2jpi s ILE 39 N 1.21 0.29 -0.26 3.12 1.01 -0.99 -0.74 121.20 124.84 2jpi s ILE 39 Ca 0.08 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 2jpi s ILE 39 Cb -0.14 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2jpi s ILE 39 CO 0.06 -0.54 0.13 1.51 0.00 0.00 0.00 174.94 176.10 2jpi s ASP 40 N 1.93 5.61 0.00 3.58 -4.77 -1.20 -2.10 116.67 119.72 2jpi s ASP 40 Ca 0.06 -0.09 0.26 0.00 -3.30 0.00 0.00 52.55 49.48 2jpi s ASP 40 Cb -0.17 -2.03 1.12 0.00 -1.09 0.00 0.00 42.92 40.76 2jpi s ASP 40 CO -0.24 -0.03 1.83 0.33 0.70 0.00 0.00 175.17 177.76 2jpi n PHE 41 N 4.93 0.00 0.00 2.11 -0.00 -1.26 -4.38 117.46 118.86 2jpi n PHE 41 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.30 2jpi n PHE 41 Cb 0.52 -0.48 0.00 0.00 -0.00 0.00 0.00 39.48 39.52 2jpi n PHE 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2jpi n GLY 42 N 1.14 2.31 2.66 7.13 0.00 -1.26 -4.86 105.19 112.30 2jpi n GLY 42 Ca 0.07 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2jpi n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jpi n ASP 43 N 0.00 6.97 0.00 1.61 8.00 -1.26 -4.88 116.55 126.99 2jpi n ASP 43 Ca 0.00 -3.46 0.00 0.00 0.71 0.00 0.00 54.79 52.04 2jpi n ASP 43 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 39.92 2jpi n ASP 43 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2jpi n SER 44 N 0.35 0.00 -3.47 -2.24 3.41 -1.25 -4.30 113.62 106.12 2jpi n SER 44 Ca 0.51 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 59.02 2jpi n SER 44 Cb 0.41 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 2jpi n SER 44 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2jpi s ASN 45 N -3.54 -0.50 -0.28 4.04 -0.87 0.56 -3.98 114.94 110.37 2jpi s ASN 45 Ca 0.00 -0.05 0.01 0.00 -1.57 0.00 0.00 52.86 51.26 2jpi s ASN 45 Cb 0.00 0.56 0.16 0.00 -0.02 0.00 0.00 41.25 41.95 2jpi s ASN 45 CO 0.00 -0.91 0.43 0.00 -2.57 0.00 0.00 177.10 174.04 2jpi s GLU 47 N 2.58 2.98 -0.19 0.00 2.12 0.56 -2.34 118.70 124.41 2jpi s GLU 47 Ca 0.11 -0.80 -0.05 0.00 0.36 0.00 0.00 54.97 54.59 2jpi s GLU 47 Cb -0.13 -2.71 0.07 0.00 0.26 0.00 0.00 34.13 31.62 2jpi s GLU 47 CO -0.27 0.50 0.10 -1.17 -0.54 0.00 0.00 175.26 173.88 2jpi s LEU 48 N -3.01 0.40 -0.03 2.70 2.96 -0.92 -2.37 118.68 118.42 2jpi s LEU 48 Ca 0.31 -0.74 -0.25 0.00 -0.22 0.00 0.00 54.13 53.23 2jpi s LEU 48 Cb -0.11 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 2jpi s LEU 48 CO 0.24 -0.36 0.77 -0.22 -1.32 0.00 0.00 176.35 175.46 2jpi s LEU 49 N 2.12 4.36 -0.14 -0.68 2.96 0.34 -1.58 118.68 126.06 2jpi s LEU 49 Ca 0.03 1.34 -0.04 0.00 -0.22 0.00 0.00 54.13 55.25 2jpi s LEU 49 Cb -0.16 -3.21 0.06 0.00 0.50 0.00 0.00 46.19 43.38 2jpi s LEU 49 CO -0.14 -0.11 0.15 0.00 -1.32 0.00 0.00 176.35 174.93 2jpi s ALA 50 N 0.64 -0.02 0.34 5.97 0.00 -0.84 0.13 121.76 127.98 2jpi s ALA 50 Ca 0.41 0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.67 2jpi s ALA 50 Cb -0.19 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2jpi s ALA 50 CO 0.21 -0.91 0.12 -1.58 0.00 0.00 0.00 175.76 173.60 2jpi s HIS 51 N 2.26 2.69 0.63 0.00 2.46 0.28 -2.48 115.29 121.13 2jpi s HIS 51 Ca 0.04 -0.38 0.14 0.00 0.47 0.00 0.00 55.06 55.34 2jpi s HIS 51 Cb -0.14 -1.60 0.78 0.00 -0.13 0.00 0.00 32.58 31.49 2jpi s HIS 51 CO -0.08 0.37 1.43 -1.35 -2.47 0.00 0.00 174.74 172.64 2jpi h PRO 52 N 1.60 0.00 0.00 2.88 0.11 -1.91 -2.51 132.00 132.16 2jpi h PRO 52 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jpi h PRO 52 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2jpi h PRO 52 CO 0.63 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.95 2jpi n ASP 53 N -2.64 0.00 -3.87 -2.05 -0.08 -1.21 -0.38 116.55 106.32 2jpi n ASP 53 Ca -0.01 -1.00 -0.10 0.00 -1.51 0.00 0.00 54.79 52.18 2jpi n ASP 53 Cb 0.68 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.06 2jpi n ASP 53 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2jpi s HIS 54 N 0.00 0.13 -0.02 -0.67 -3.43 -0.89 -2.62 115.29 107.80 2jpi s HIS 54 Ca 0.00 -0.45 -0.01 0.00 -0.80 0.00 0.00 55.06 53.79 2jpi s HIS 54 Cb 0.00 -0.07 0.01 0.00 -1.43 0.00 0.00 32.58 31.09 2jpi s HIS 54 CO 0.00 -0.46 0.04 0.54 -2.00 0.00 0.00 174.74 172.86 2jpi s VAL 55 N -3.12 -0.01 0.07 -5.38 0.11 -0.97 0.10 120.40 111.21 2jpi s VAL 55 Ca -0.01 0.03 0.10 0.00 -2.93 0.00 0.00 61.98 59.17 2jpi s VAL 55 Cb 0.02 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.76 2jpi s VAL 55 CO -0.07 0.01 -0.26 -0.76 -3.33 0.00 0.00 175.10 170.70 2jpi s LEU 56 N 0.18 2.22 -0.18 2.54 1.43 0.36 -2.49 118.68 122.75 2jpi s LEU 56 Ca -0.01 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 2jpi s LEU 56 Cb -0.02 -1.22 0.05 0.00 0.03 0.00 0.00 46.19 45.02 2jpi s LEU 56 CO -0.01 0.22 -0.04 -0.04 0.23 0.00 0.00 176.35 176.71 2jpi s MET 57 N -1.52 1.37 -0.03 1.70 -1.94 -0.42 0.13 119.30 118.59 2jpi s MET 57 Ca 0.12 -0.57 0.05 0.00 -1.71 0.00 0.00 55.69 53.58 2jpi s MET 57 Cb -0.10 -2.09 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 2jpi s MET 57 CO 0.03 -0.48 -0.19 0.42 -0.01 0.00 0.00 175.02 174.79 2jpi s ILE 58 N 1.63 1.55 0.05 2.53 1.01 -1.00 -1.21 121.20 125.76 2jpi s ILE 58 Ca -0.00 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 59.90 2jpi s ILE 58 Cb -0.16 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 2jpi s ILE 58 CO -0.07 0.44 -0.21 -1.48 0.00 0.00 0.00 174.94 173.62 2jpi s LEU 59 N -0.26 2.17 -0.32 2.97 -0.00 -1.23 -0.32 118.68 121.70 2jpi s LEU 59 Ca 0.02 -0.53 0.04 0.00 -0.00 0.00 0.00 54.13 53.66 2jpi s LEU 59 Cb -0.10 -0.96 0.09 0.00 -0.00 0.00 0.00 46.19 45.22 2jpi s LEU 59 CO 0.01 0.15 0.01 0.21 -0.00 0.00 0.00 176.35 176.73 2jpi s ASN 60 N -1.21 4.65 -0.02 1.48 3.04 -1.00 -4.02 114.94 117.86 2jpi s ASN 60 Ca 0.07 -1.94 -0.00 0.00 0.04 0.00 0.00 52.86 51.03 2jpi s ASN 60 Cb -0.09 -1.58 0.02 0.00 -1.54 0.00 0.00 41.25 38.06 2jpi s ASN 60 CO 0.02 -0.33 0.03 -0.44 -3.04 0.00 0.00 177.10 173.34 2jpi s SER 61 N 0.98 0.02 0.00 -4.21 0.01 -1.20 0.21 113.70 109.51 2jpi s SER 61 Ca 0.06 0.05 0.09 0.00 1.31 0.00 0.00 55.95 57.46 2jpi s SER 61 Cb -0.19 -0.01 0.41 0.00 0.21 0.00 0.00 66.02 66.44 2jpi s SER 61 CO -0.08 -0.07 1.24 -0.81 0.41 0.00 0.00 173.24 173.93 2jpi n PRO 62 N 3.67 0.05 -3.80 12.44 -0.04 -1.26 -0.82 135.00 145.23 2jpi n PRO 62 Ca -0.20 0.29 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2jpi n PRO 62 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 2jpi n PRO 62 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jpi s ASP 63 N -2.84 -0.09 0.20 3.54 1.01 -1.26 -4.23 116.67 113.00 2jpi s ASP 63 Ca 0.06 -0.10 -0.11 0.00 0.71 0.00 0.00 52.55 53.11 2jpi s ASP 63 Cb 0.06 0.29 0.16 0.00 1.01 0.00 0.00 42.92 44.43 2jpi s ASP 63 CO 0.15 -0.47 1.85 -0.33 0.21 0.00 0.00 175.17 176.58 2jpi h GLU 64 N 3.79 0.84 -0.50 8.23 3.07 -1.97 0.59 114.58 128.63 2jpi h GLU 64 Ca -0.31 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 58.59 2jpi h GLU 64 Cb 1.19 -0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 28.80 2jpi h GLU 64 CO 0.42 0.56 -0.34 0.22 -1.40 0.00 0.00 179.01 178.47 2jpi h ASP 65 N 0.87 -1.17 0.66 1.42 3.58 -1.98 1.40 116.42 121.20 2jpi h ASP 65 Ca 0.26 0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.89 2jpi h ASP 65 Cb -0.03 0.56 0.01 0.00 1.72 0.00 0.00 39.33 41.58 2jpi h ASP 65 CO -0.08 -0.32 -0.32 0.28 -2.88 0.00 0.00 179.24 175.92 2jpi h SER 66 N -0.21 -0.75 -0.96 2.28 0.02 -1.86 -0.15 113.55 111.92 2jpi h SER 66 Ca 0.20 -0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 2jpi h SER 66 Cb 0.55 0.19 -0.12 0.00 0.14 0.00 0.00 62.40 63.17 2jpi h SER 66 CO -0.62 -0.48 -0.57 0.25 -1.14 0.00 0.00 176.83 174.27 2jpi h LEU 67 N -0.97 -2.10 -0.97 5.07 6.46 0.17 0.36 115.31 123.32 2jpi h LEU 67 Ca -0.09 0.32 -0.08 0.00 -0.12 0.00 0.00 57.88 57.91 2jpi h LEU 67 Cb 0.70 0.93 -0.02 0.00 -0.73 0.00 0.00 40.66 41.54 2jpi h LEU 67 CO 0.15 -0.23 -0.07 0.00 -0.62 0.00 0.00 178.44 177.67 2jpi h ALA 68 N 0.44 1.14 -1.00 1.25 0.00 0.18 -1.57 119.26 119.70 2jpi h ALA 68 Ca 0.15 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.94 2jpi h ALA 68 Cb 0.40 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 2jpi h ALA 68 CO -0.90 0.54 0.63 1.25 0.00 0.00 0.00 179.25 180.76 2jpi h HIS 69 N 0.62 1.11 0.11 0.00 -0.00 0.15 0.46 115.15 117.60 2jpi h HIS 69 Ca 0.12 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 2jpi h HIS 69 Cb 0.49 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 2jpi h HIS 69 CO 0.02 0.37 -0.05 0.52 -0.00 0.00 0.00 177.93 178.79 2jpi h MET 70 N 0.90 -0.14 -0.27 5.26 2.86 -0.42 -1.96 114.93 121.18 2jpi h MET 70 Ca 0.53 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 58.26 2jpi h MET 70 Cb 0.65 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2jpi h MET 70 CO -0.31 0.09 0.20 -0.56 1.06 0.00 0.00 176.91 177.40 2jpi h GLN 71 N -1.01 0.00 0.07 1.72 3.07 -1.10 -2.54 115.11 115.32 2jpi h GLN 71 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.59 2jpi h GLN 71 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 2jpi h GLN 71 CO 0.02 0.00 -0.65 -0.97 0.09 0.00 0.00 178.83 177.33 2jpi h ASN 72 N 0.00 0.22 -0.97 0.06 -1.24 -0.19 -3.17 115.58 110.29 2jpi h ASN 72 Ca 0.13 -0.91 0.26 0.00 0.71 0.00 0.00 56.30 56.49 2jpi h ASN 72 Cb 0.53 -0.07 -0.13 0.00 0.73 0.00 0.00 38.32 39.38 2jpi h ASN 72 CO -0.00 1.29 0.52 0.58 -1.29 0.00 0.00 177.43 178.53 2jpi h VAL 73 N -0.67 0.43 -0.12 2.57 2.07 -0.94 0.24 116.25 119.84 2jpi h VAL 73 Ca -0.14 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2jpi h VAL 73 Cb 1.38 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2jpi h VAL 73 CO 0.04 0.08 -0.15 0.58 0.02 0.00 0.00 177.57 178.14 2jpi h VAL 74 N 0.44 1.37 -1.03 2.57 2.07 -1.62 -2.89 116.25 117.15 2jpi h VAL 74 Ca 0.65 -1.35 0.30 0.00 0.82 0.00 0.00 66.70 67.12 2jpi h VAL 74 Cb 1.33 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 33.04 2jpi h VAL 74 CO -0.54 0.39 0.87 0.00 0.02 0.00 0.00 177.57 178.31 2jpi h ALA 75 N 0.57 2.91 0.06 1.67 0.00 -0.93 0.82 119.26 124.36 2jpi h ALA 75 Ca 0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 2jpi h ALA 75 Cb 0.69 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.58 2jpi h ALA 75 CO 0.04 -1.41 -0.95 0.22 0.00 0.00 0.00 179.25 177.15 2jpi h ASP 76 N 0.00 0.73 -0.79 0.00 1.82 -1.24 -3.15 116.42 113.80 2jpi h ASP 76 Ca 0.49 -0.80 0.02 0.00 -0.39 0.00 0.00 57.03 56.35 2jpi h ASP 76 Cb 2.23 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 41.97 2jpi h ASP 76 CO -0.01 1.45 0.51 0.45 -1.61 0.00 0.00 179.24 180.04 2jpi h HIS 77 N 0.11 0.96 0.00 0.28 3.86 0.76 -0.46 115.15 120.67 2jpi h HIS 77 Ca -0.13 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 2jpi h HIS 77 Cb 1.65 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.79 2jpi h HIS 77 CO 0.13 0.58 -0.15 -0.07 0.86 0.00 0.00 177.93 179.28 2jpi h LEU 78 N 1.02 0.00 -0.08 2.43 3.38 -1.45 -2.63 115.31 117.98 2jpi h LEU 78 Ca 0.30 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.10 2jpi h LEU 78 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2jpi h LEU 78 CO -0.09 0.15 -0.61 -0.61 0.09 0.00 0.00 178.44 177.37 2jpi h GLN 79 N 0.00 0.56 -0.59 1.13 4.15 -1.08 -2.43 115.11 116.85 2jpi h GLN 79 Ca -0.00 -0.49 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 2jpi h GLN 79 Cb 0.30 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 2jpi h GLN 79 CO 0.02 1.12 0.34 -0.09 -1.93 0.00 0.00 178.83 178.29 2jpi h ARG 80 N 0.16 0.79 0.00 1.69 2.43 -0.93 -1.56 114.38 116.97 2jpi h ARG 80 Ca -0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2jpi h ARG 80 Cb 1.27 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2jpi h ARG 80 CO 0.12 0.57 -0.15 0.00 -1.51 0.00 0.00 179.97 179.01 2jpi h MET 81 N 0.81 0.00 -3.55 0.20 -0.00 -1.50 -3.41 114.93 107.47 2jpi h MET 81 Ca 0.21 0.00 -0.59 0.00 -0.00 0.00 0.00 59.70 59.32 2jpi h MET 81 Cb -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 31.60 31.19 2jpi h MET 81 CO -0.04 0.00 -0.75 0.00 -0.00 0.00 0.00 176.91 176.12 2jpi s ALA 82 N -3.13 1.62 -0.37 -3.00 0.00 -0.59 -5.10 121.76 111.20 2jpi s ALA 82 Ca 0.09 -1.76 -0.21 0.00 0.00 0.00 0.00 51.96 50.08 2jpi s ALA 82 Cb 0.12 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.59 2jpi s ALA 82 CO 0.63 -1.70 0.68 -0.80 0.00 0.00 0.00 175.76 174.58 2jpi s ASN 83 N 1.51 6.45 0.00 0.00 -0.87 -1.24 -4.44 114.94 116.35 2jpi s ASN 83 Ca 0.10 0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 2jpi s ASN 83 Cb -0.18 -2.35 0.00 0.00 -0.02 0.00 0.00 41.25 38.71 2jpi s ASN 83 CO -0.23 -0.65 0.00 -0.24 -2.57 0.00 0.00 177.10 173.41 2jpi n SER 84 N 6.18 0.00 -3.72 -1.22 2.88 -1.26 -5.16 113.62 111.32 2jpi n SER 84 Ca -0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 2jpi n SER 84 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 2jpi n SER 84 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2jpi s GLU 85 N 0.00 1.51 -0.91 -1.46 1.03 -1.26 -5.05 118.70 112.56 2jpi s GLU 85 Ca 0.00 -0.77 -0.21 0.00 0.03 0.00 0.00 54.97 54.02 2jpi s GLU 85 Cb 0.00 0.56 -0.12 0.00 -0.80 0.00 0.00 34.13 33.77 2jpi s GLU 85 CO 0.00 -0.69 1.98 0.45 -1.33 0.00 0.00 175.26 175.67 2jpi n SER 86 N -0.43 2.80 -0.11 0.83 2.88 -1.26 -4.74 113.62 113.59 2jpi n SER 86 Ca -0.08 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.75 2jpi n SER 86 Cb 0.61 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 2jpi n SER 86 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jpi n LEU 87 N 7.55 -0.06 -4.55 2.46 7.99 -1.26 -4.62 117.00 124.49 2jpi n LEU 87 Ca 0.50 0.05 -0.37 0.00 -0.01 0.00 0.00 56.01 56.18 2jpi n LEU 87 Cb 0.41 -0.07 -0.03 0.00 -0.11 0.00 0.00 43.42 43.61 2jpi n LEU 87 CO 1.00 -0.09 1.52 -0.70 -1.51 0.00 0.00 177.39 177.60 2jpi s GLU 88 N 0.00 2.70 -0.05 3.23 -6.30 -1.26 -4.92 118.70 112.10 2jpi s GLU 88 Ca 0.00 0.33 0.01 0.00 -2.50 0.00 0.00 54.97 52.81 2jpi s GLU 88 Cb 0.00 -4.50 0.02 0.00 0.00 0.00 0.00 34.13 29.65 2jpi s GLU 88 CO 0.00 -2.76 -0.06 0.96 0.02 0.00 0.00 175.26 173.42 2jpi s ILE 89 N 8.79 0.64 -0.41 -3.70 -0.00 -1.26 -4.83 121.20 120.43 2jpi s ILE 89 Ca 0.64 -0.17 -0.18 0.00 -0.00 0.00 0.00 60.65 60.93 2jpi s ILE 89 Cb -0.11 -0.65 0.02 0.00 -0.00 0.00 0.00 42.46 41.72 2jpi s ILE 89 CO 0.16 0.25 0.47 0.00 -0.00 0.00 0.00 174.94 175.82 2jpi s ALA 90 N 0.94 3.42 -0.08 2.27 0.00 -1.26 -5.02 121.76 122.03 2jpi s ALA 90 Ca -0.11 -1.40 -0.16 0.00 0.00 0.00 0.00 51.96 50.29 2jpi s ALA 90 Cb -0.14 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2jpi s ALA 90 CO 0.00 -1.55 0.41 1.67 0.00 0.00 0.00 175.76 176.29 2jpi s TRP 91 N 2.26 3.59 0.30 0.00 1.48 -1.26 -3.98 118.94 121.32 2jpi s TRP 91 Ca 0.14 0.87 -0.10 0.00 -1.06 0.00 0.00 56.10 55.95 2jpi s TRP 91 Cb -0.16 -2.41 -0.07 0.00 -1.16 0.00 0.00 33.47 29.67 2jpi s TRP 91 CO 0.14 0.37 0.63 -0.65 -4.06 0.00 0.00 176.95 173.38 2jpi s GLN 92 N -0.07 3.79 0.37 3.25 -0.21 -1.25 -4.97 119.66 120.58 2jpi s GLN 92 Ca 0.23 0.33 0.17 0.00 0.02 0.00 0.00 55.36 56.11 2jpi s GLN 92 Cb -0.15 -2.55 1.09 0.00 1.00 0.00 0.00 33.01 32.39 2jpi s GLN 92 CO 0.10 0.19 1.72 -1.35 -2.12 0.00 0.00 175.29 173.83 2jpi h PRO 93 N 2.01 0.38 -0.11 2.91 0.11 -1.95 -3.41 132.00 131.94 2jpi h PRO 93 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jpi h PRO 93 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jpi h PRO 93 CO 0.67 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 2jpi n ALA 94 N -2.40 0.00 0.00 -0.75 0.00 -1.26 -4.82 120.51 111.29 2jpi n ALA 94 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2jpi n ALA 94 Cb 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.32 2jpi n ALA 94 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jpi n GLU 95 N -0.24 0.00 -0.53 0.00 2.13 -1.22 -1.87 120.64 118.92 2jpi n GLU 95 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jpi n GLU 95 Cb 0.07 -0.45 0.00 0.00 0.27 0.00 0.00 31.44 31.32 2jpi n GLU 95 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15