#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 2.76 -0.14 3.17 0.08 -0.71 -4.90 117.98 118.23 2jpi s PHE 2 Ca 0.00 -0.31 -0.06 0.00 0.12 0.00 0.00 56.93 56.68 2jpi s PHE 2 Cb 0.00 -2.48 0.06 0.00 -0.57 0.00 0.00 43.02 40.03 2jpi s PHE 2 CO 0.00 -0.58 0.32 0.50 -0.10 0.00 0.00 175.22 175.36 2jpi s ARG 3 N -4.48 0.25 0.33 0.44 6.06 -0.40 -3.52 118.95 117.63 2jpi s ARG 3 Ca 0.56 0.76 0.09 0.00 -2.50 0.00 0.00 55.73 54.64 2jpi s ARG 3 Cb -0.10 0.02 -0.05 0.00 0.06 0.00 0.00 34.95 34.88 2jpi s ARG 3 CO 0.35 -0.22 0.02 0.45 -2.50 0.00 0.00 175.30 173.40 2jpi s SER 4 N 1.94 4.26 -0.11 -2.12 0.15 -1.26 -3.64 113.70 112.92 2jpi s SER 4 Ca -0.04 -0.94 -0.05 0.00 0.70 0.00 0.00 55.95 55.62 2jpi s SER 4 Cb -0.11 -0.57 0.05 0.00 -1.71 0.00 0.00 66.02 63.68 2jpi s SER 4 CO -0.10 -0.22 0.23 0.42 1.20 0.00 0.00 173.24 174.77 2jpi s THR 5 N -2.49 -0.17 -0.18 6.45 -4.23 -1.26 -3.49 115.64 110.27 2jpi s THR 5 Ca 0.35 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 61.02 2jpi s THR 5 Cb -0.01 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.43 2jpi s THR 5 CO 0.20 0.09 -0.01 -0.55 -0.54 0.00 0.00 174.62 173.80 2jpi s SER 6 N 1.70 4.87 -0.14 3.99 0.15 -0.14 -3.78 113.70 120.36 2jpi s SER 6 Ca -0.05 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 2jpi s SER 6 Cb -0.11 -1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 62.36 2jpi s SER 6 CO -0.08 0.12 -0.11 -2.28 1.20 0.00 0.00 173.24 172.09 2jpi s HIS 7 N 0.69 2.86 0.03 3.44 2.46 -1.26 -1.00 115.29 122.52 2jpi s HIS 7 Ca -0.01 -0.56 -0.00 0.00 0.47 0.00 0.00 55.06 54.96 2jpi s HIS 7 Cb -0.14 -1.87 -0.03 0.00 -0.13 0.00 0.00 32.58 30.41 2jpi s HIS 7 CO 0.02 -0.17 -0.03 0.08 -2.47 0.00 0.00 174.74 172.18 2jpi s VAL 8 N 0.35 0.15 -0.47 0.89 1.01 -1.03 -4.34 120.40 116.97 2jpi s VAL 8 Ca -0.09 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.50 2jpi s VAL 8 Cb -0.16 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.57 2jpi s VAL 8 CO 0.05 -0.68 0.43 -0.13 0.00 0.00 0.00 175.10 174.77 2jpi s ARG 9 N -2.34 3.01 0.14 2.72 3.00 -1.26 -2.30 118.95 121.92 2jpi s ARG 9 Ca -0.08 -1.19 0.06 0.00 0.00 0.00 0.00 55.73 54.52 2jpi s ARG 9 Cb -0.04 -4.10 -0.04 0.00 0.00 0.00 0.00 34.95 30.78 2jpi s ARG 9 CO -0.04 -1.02 -0.13 -0.08 0.00 0.00 0.00 175.30 174.04 2jpi s THR 10 N 1.85 1.30 0.00 0.02 -1.32 -1.04 -4.98 115.64 111.47 2jpi s THR 10 Ca 0.07 -1.86 0.01 0.00 -1.21 0.00 0.00 61.69 58.69 2jpi s THR 10 Cb -0.22 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 2jpi s THR 10 CO 0.08 -0.54 0.05 -1.61 -2.21 0.00 0.00 174.62 170.40 2jpi s GLU 11 N -3.09 2.95 -1.80 7.08 2.02 -1.26 -2.20 118.70 122.39 2jpi s GLU 11 Ca 0.12 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.57 2jpi s GLU 11 Cb -0.02 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.43 2jpi s GLU 11 CO 0.03 0.63 0.00 0.45 0.02 0.00 0.00 175.26 176.39 2jpi n SER 12 N 1.20 -5.50 -0.06 -0.19 2.88 0.45 -4.88 113.62 107.52 2jpi n SER 12 Ca -0.13 0.15 -0.08 0.00 -1.33 0.00 0.00 58.87 57.48 2jpi n SER 12 Cb 0.53 -4.67 -0.01 0.00 -0.75 0.00 0.00 64.21 59.30 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 0.74 -0.09 -1.01 -1.46 0.00 -1.70 -2.58 119.26 113.16 2jpi h ALA 13 Ca -0.45 0.09 0.29 0.00 0.00 0.00 0.00 54.91 54.84 2jpi h ALA 13 Cb 1.33 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 2jpi h ALA 13 CO 0.56 -0.65 1.14 0.00 0.00 0.00 0.00 179.25 180.31 2jpi h ALA 14 N 0.86 2.92 0.24 0.00 0.00 -1.53 0.40 119.26 122.15 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 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.35 2jpi h ALA 14 CO -0.40 -1.66 -1.53 -0.09 0.00 0.00 0.00 179.25 175.58 2jpi h ARG 15 N 0.00 0.50 0.00 0.00 1.12 -1.75 -2.36 114.38 111.88 2jpi h ARG 15 Ca 0.48 -0.86 -0.01 0.00 -1.11 0.00 0.00 59.98 58.48 2jpi h ARG 15 Cb 2.75 0.32 -0.00 0.00 -0.01 0.00 0.00 29.97 33.03 2jpi h ARG 15 CO -0.01 1.41 -0.05 1.88 -3.11 0.00 0.00 179.97 180.10 2jpi h TYR 16 N 0.12 0.00 0.20 2.20 0.05 -0.32 0.17 116.97 119.39 2jpi h TYR 16 Ca -0.28 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.19 2jpi h TYR 16 Cb 2.14 0.00 0.02 0.00 1.01 0.00 0.00 36.73 39.90 2jpi h TYR 16 CO 0.13 0.05 -1.47 0.28 -1.05 0.00 0.00 178.16 176.09 2jpi h VAL 17 N 0.00 1.17 -0.08 -2.88 2.07 -1.49 -3.17 116.25 111.87 2jpi h VAL 17 Ca -0.00 -2.58 -0.09 0.00 0.82 0.00 0.00 66.70 64.85 2jpi h VAL 17 Cb 0.16 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2jpi h VAL 17 CO 0.01 0.80 -0.37 0.78 0.02 0.00 0.00 177.57 178.81 2jpi h ASN 18 N 0.01 0.17 1.77 0.57 -0.26 -0.74 -2.99 115.58 114.11 2jpi h ASN 18 Ca -0.28 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 2jpi h ASN 18 Cb 2.03 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 39.24 2jpi h ASN 18 CO 0.20 0.53 -0.10 -0.09 -1.06 0.00 0.00 177.43 176.91 2jpi h ARG 19 N 0.14 0.00 -0.07 0.81 2.43 -0.82 -3.35 114.38 113.52 2jpi h ARG 19 Ca 0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2jpi h ARG 19 Cb 0.72 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2jpi h ARG 19 CO 0.05 0.00 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.44 2jpi h LEU 20 N 0.00 0.13 -1.73 3.80 3.38 -1.49 0.18 115.31 119.58 2jpi h LEU 20 Ca 0.00 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.75 2jpi h LEU 20 Cb 0.94 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2jpi h LEU 20 CO 0.00 0.43 0.37 0.00 0.09 0.00 0.00 178.44 179.33 2jpi h LYS 22 N 0.30 0.00 0.00 0.00 1.57 -1.67 -2.12 116.57 114.65 2jpi h LYS 22 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2jpi h LYS 22 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2jpi h LYS 22 CO -0.06 0.06 -0.24 1.25 -0.57 0.00 0.00 179.45 179.90 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.28 -3.40 115.15 113.44 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 1.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.03 2jpi h HIS 23 CO 0.00 0.00 -0.48 0.91 -1.30 0.00 0.00 177.93 177.06 2jpi n TRP 24 N -4.57 0.04 -0.78 5.26 5.03 0.13 -4.58 117.44 117.98 2jpi n TRP 24 Ca -0.03 0.01 -0.27 0.00 3.03 0.00 0.00 57.50 60.24 2jpi n TRP 24 Cb 0.12 -0.30 -0.03 0.00 -1.03 0.00 0.00 31.31 30.07 2jpi n TRP 24 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jpi n GLY 25 N 1.49 2.76 0.05 6.99 0.00 -0.80 -3.96 105.19 111.71 2jpi n GLY 25 Ca 0.05 -0.89 -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 1.42 0.00 0.00 0.00 173.32 174.74 2jpi n HIS 26 N 5.33 0.00 -2.03 1.61 8.25 -1.26 -4.78 115.22 122.34 2jpi n HIS 26 Ca 0.42 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.88 2jpi n HIS 26 Cb 0.20 -0.45 -0.00 0.00 1.12 0.00 0.00 29.99 30.86 2jpi n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2jpi n LYS 27 N -2.35 0.00 -4.04 -0.41 0.00 -1.25 -5.11 118.16 104.99 2jpi n LYS 27 Ca -0.15 -0.65 -0.08 0.00 0.00 0.00 0.00 58.31 57.44 2jpi n LYS 27 Cb 0.80 -0.23 -0.10 0.00 0.00 0.00 0.00 35.03 35.50 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 0.41 -0.56 5.64 0.08 -1.26 -5.10 117.98 117.18 2jpi s PHE 28 Ca 0.02 -0.84 -0.28 0.00 0.12 0.00 0.00 56.93 55.95 2jpi s PHE 28 Cb 0.02 -0.30 0.02 0.00 -0.57 0.00 0.00 43.02 42.19 2jpi s PHE 28 CO -0.01 -0.31 1.35 -1.83 -0.10 0.00 0.00 175.22 174.32 2jpi s GLU 29 N -2.92 3.37 -0.21 0.44 1.03 -1.26 -4.71 118.70 114.45 2jpi s GLU 29 Ca -0.02 0.40 -0.01 0.00 0.03 0.00 0.00 54.97 55.37 2jpi s GLU 29 Cb 0.01 -4.09 0.01 0.00 -0.80 0.00 0.00 34.13 29.26 2jpi s GLU 29 CO -0.06 -1.85 -0.12 0.14 -1.33 0.00 0.00 175.26 172.04 2jpi s VAL 30 N 5.72 2.65 -0.11 1.83 -7.23 -1.25 -3.16 120.40 118.84 2jpi s VAL 30 Ca 0.50 -0.84 -0.12 0.00 -1.81 0.00 0.00 61.98 59.71 2jpi s VAL 30 Cb -0.10 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2jpi s VAL 30 CO 0.25 0.41 0.27 -0.70 -0.31 0.00 0.00 175.10 175.02 2jpi s GLU 31 N 1.35 3.94 -0.29 4.82 2.12 0.59 -4.92 118.70 126.31 2jpi s GLU 31 Ca 0.04 0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.46 2jpi s GLU 31 Cb -0.14 -3.31 0.06 0.00 0.26 0.00 0.00 34.13 31.00 2jpi s GLU 31 CO -0.08 0.51 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.93 2jpi s LEU 32 N -0.34 3.81 0.21 2.70 0.20 -1.26 -2.08 118.68 121.92 2jpi s LEU 32 Ca 0.17 -1.45 0.06 0.00 0.69 0.00 0.00 54.13 53.61 2jpi s LEU 32 Cb -0.13 -1.63 -0.05 0.00 -0.43 0.00 0.00 46.19 43.95 2jpi s LEU 32 CO 0.06 -0.25 -0.11 0.42 -0.29 0.00 0.00 176.35 176.18 2jpi s THR 33 N 1.14 1.54 -0.39 3.68 -4.23 -1.18 -5.03 115.64 111.18 2jpi s THR 33 Ca -0.05 -2.15 -0.06 0.00 -1.18 0.00 0.00 61.69 58.25 2jpi s THR 33 Cb -0.20 -2.10 -0.18 0.00 1.34 0.00 0.00 72.50 71.36 2jpi s THR 33 CO -0.04 -0.55 2.95 -0.81 -0.54 0.00 0.00 174.62 175.63 2jpi n PRO 34 N -0.38 2.06 0.00 3.99 -0.04 -1.26 -2.97 135.00 136.39 2jpi n PRO 34 Ca -0.08 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 2jpi n PRO 34 Cb 0.61 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 2.95 0.00 -3.69 0.54 1.02 -1.26 -5.07 120.64 115.13 2jpi n GLU 35 Ca 0.44 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.56 2jpi n GLU 35 Cb 0.59 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.00 2jpi n GLU 35 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2jpi s ARG 36 N -0.99 0.85 -0.26 3.49 1.70 -1.16 -2.58 118.95 120.01 2jpi s ARG 36 Ca 0.00 -0.46 -0.05 0.00 -0.47 0.00 0.00 55.73 54.74 2jpi s ARG 36 Cb 0.00 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.68 2jpi s ARG 36 CO 0.00 -0.39 0.02 0.20 -1.08 0.00 0.00 175.30 174.05 2jpi s GLY 37 N -2.92 1.71 -0.26 3.88 0.00 -0.37 -3.08 107.32 106.28 2jpi s GLY 37 Ca 0.13 -1.32 -0.11 0.00 0.00 0.00 0.00 44.72 43.42 2jpi s GLY 37 CO -0.01 0.55 0.19 -0.12 0.00 0.00 0.00 173.10 173.71 2jpi s PHE 38 N 1.49 3.27 -0.27 1.90 5.36 -0.88 -2.23 117.98 126.61 2jpi s PHE 38 Ca 0.04 0.19 -0.02 0.00 -0.96 0.00 0.00 56.93 56.18 2jpi s PHE 38 Cb -0.16 -2.34 0.09 0.00 -0.34 0.00 0.00 43.02 40.27 2jpi s PHE 38 CO -0.00 -0.05 0.09 0.42 -1.46 0.00 0.00 175.22 174.21 2jpi s ILE 39 N 1.43 0.51 -0.14 3.12 1.01 -1.01 -0.30 121.20 125.82 2jpi s ILE 39 Ca 0.08 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 2jpi s ILE 39 Cb -0.15 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 2jpi s ILE 39 CO 0.08 -0.53 0.01 1.51 0.00 0.00 0.00 174.94 176.01 2jpi s ASP 40 N 1.82 5.27 -0.05 3.58 -4.77 -1.19 -1.08 116.67 120.26 2jpi s ASP 40 Ca 0.06 0.05 0.21 0.00 -3.30 0.00 0.00 52.55 49.57 2jpi s ASP 40 Cb -0.17 -1.75 0.69 0.00 -1.09 0.00 0.00 42.92 40.60 2jpi s ASP 40 CO -0.22 0.25 1.59 0.49 0.70 0.00 0.00 175.17 177.98 2jpi n PHE 41 N 3.02 1.23 0.00 2.11 3.01 -0.86 -4.25 117.46 121.72 2jpi n PHE 41 Ca -0.18 -0.55 0.00 0.00 1.01 0.00 0.00 57.45 57.74 2jpi n PHE 41 Cb 0.53 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 2jpi n PHE 41 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jpi n GLY 42 N 1.46 1.22 2.36 1.37 0.00 -1.26 -4.71 105.19 105.64 2jpi n GLY 42 Ca 0.26 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2jpi n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jpi n ASP 43 N 0.40 6.88 0.00 1.61 -0.08 -1.26 -4.78 116.55 119.32 2jpi n ASP 43 Ca 0.00 -2.96 0.00 0.00 -1.51 0.00 0.00 54.79 50.32 2jpi n ASP 43 Cb 0.00 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.12 2jpi n ASP 43 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2jpi n SER 44 N 1.75 0.00 -3.87 1.67 3.41 -1.26 -4.39 113.62 110.93 2jpi n SER 44 Ca 0.55 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.06 2jpi n SER 44 Cb 0.51 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.00 -0.13 -0.27 4.04 0.01 0.41 -2.02 114.94 116.97 2jpi s ASN 45 Ca 0.00 -0.70 -0.00 0.00 -0.71 0.00 0.00 52.86 51.44 2jpi s ASN 45 Cb 0.00 0.54 0.14 0.00 0.41 0.00 0.00 41.25 42.34 2jpi s ASN 45 CO 0.00 -1.03 0.34 0.00 -1.51 0.00 0.00 177.10 174.91 2jpi s GLU 47 N 2.46 3.27 -0.10 0.00 2.12 -0.00 -2.41 118.70 124.03 2jpi s GLU 47 Ca 0.10 -0.66 -0.04 0.00 0.36 0.00 0.00 54.97 54.74 2jpi s GLU 47 Cb -0.14 -2.88 0.05 0.00 0.26 0.00 0.00 34.13 31.43 2jpi s GLU 47 CO -0.27 0.52 0.16 -1.17 -0.54 0.00 0.00 175.26 173.96 2jpi s LEU 48 N -3.09 -0.06 -0.11 2.70 2.96 -0.95 -2.50 118.68 117.64 2jpi s LEU 48 Ca 0.33 0.21 -0.17 0.00 -0.22 0.00 0.00 54.13 54.29 2jpi s LEU 48 Cb -0.11 0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.79 2jpi s LEU 48 CO 0.27 -0.26 0.44 -0.22 -1.32 0.00 0.00 176.35 175.26 2jpi s LEU 49 N 2.29 4.30 -0.15 -0.68 2.96 0.34 -1.24 118.68 126.50 2jpi s LEU 49 Ca 0.04 0.78 -0.04 0.00 -0.22 0.00 0.00 54.13 54.69 2jpi s LEU 49 Cb -0.13 -2.63 0.06 0.00 0.50 0.00 0.00 46.19 44.00 2jpi s LEU 49 CO -0.07 0.06 0.14 0.00 -1.32 0.00 0.00 176.35 175.16 2jpi s ALA 50 N 0.39 0.06 0.32 5.97 0.00 -1.06 0.11 121.76 127.54 2jpi s ALA 50 Ca 0.24 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.41 2jpi s ALA 50 Cb -0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2jpi s ALA 50 CO 0.10 -0.96 0.09 -1.58 0.00 0.00 0.00 175.76 173.40 2jpi s HIS 51 N 2.23 2.70 0.64 0.00 2.46 0.24 -2.48 115.29 121.08 2jpi s HIS 51 Ca 0.04 -0.34 0.12 0.00 0.47 0.00 0.00 55.06 55.35 2jpi s HIS 51 Cb -0.15 -1.50 0.66 0.00 -0.13 0.00 0.00 32.58 31.46 2jpi s HIS 51 CO -0.08 0.43 1.36 -1.35 -2.47 0.00 0.00 174.74 172.63 2jpi h PRO 52 N 1.66 0.00 0.00 2.88 0.11 -1.91 -2.55 132.00 132.19 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 -0.25 -0.21 0.00 0.00 178.00 178.17 2jpi n ASP 53 N -2.62 0.00 -3.95 -2.05 8.00 -1.22 -0.41 116.55 114.31 2jpi n ASP 53 Ca -0.01 -0.89 -0.09 0.00 0.71 0.00 0.00 54.79 54.51 2jpi n ASP 53 Cb 0.73 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.74 2jpi n ASP 53 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2jpi s HIS 54 N 0.00 0.25 -0.01 1.24 -3.43 -0.94 -2.50 115.29 109.91 2jpi s HIS 54 Ca 0.00 -0.62 0.00 0.00 -0.80 0.00 0.00 55.06 53.64 2jpi s HIS 54 Cb 0.00 -0.18 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 2jpi s HIS 54 CO 0.00 -0.39 -0.00 0.54 -2.00 0.00 0.00 174.74 172.89 2jpi s VAL 55 N -3.00 0.07 0.04 -5.38 0.11 -0.97 0.81 120.40 112.07 2jpi s VAL 55 Ca -0.02 -0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.12 2jpi s VAL 55 Cb 0.01 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.75 2jpi s VAL 55 CO -0.06 0.04 -0.26 -0.76 -3.33 0.00 0.00 175.10 170.73 2jpi s LEU 56 N 0.18 2.20 -0.20 2.54 1.43 0.30 -2.45 118.68 122.68 2jpi s LEU 56 Ca -0.01 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2jpi s LEU 56 Cb -0.03 -1.31 0.05 0.00 0.03 0.00 0.00 46.19 44.93 2jpi s LEU 56 CO -0.01 0.26 -0.08 -0.04 0.23 0.00 0.00 176.35 176.72 2jpi s MET 57 N -1.21 1.77 -0.04 1.70 -1.94 -0.17 0.13 119.30 119.54 2jpi s MET 57 Ca 0.12 -0.79 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 2jpi s MET 57 Cb -0.10 -2.35 -0.01 0.00 2.01 0.00 0.00 34.83 34.38 2jpi s MET 57 CO 0.02 -0.47 -0.19 0.42 -0.01 0.00 0.00 175.02 174.79 2jpi s ILE 58 N 1.46 1.55 0.05 2.53 1.01 -1.04 -0.96 121.20 125.80 2jpi s ILE 58 Ca -0.02 -0.80 0.09 0.00 0.00 0.00 0.00 60.65 59.92 2jpi s ILE 58 Cb -0.17 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2jpi s ILE 58 CO -0.08 0.44 -0.24 -1.48 0.00 0.00 0.00 174.94 173.58 2jpi s LEU 59 N -0.13 2.18 -0.32 2.97 -0.00 -1.23 -0.82 118.68 121.34 2jpi s LEU 59 Ca -0.01 -0.58 0.03 0.00 -0.00 0.00 0.00 54.13 53.58 2jpi s LEU 59 Cb -0.11 -1.16 0.09 0.00 -0.00 0.00 0.00 46.19 45.02 2jpi s LEU 59 CO 0.02 0.21 0.01 0.20 -0.00 0.00 0.00 176.35 176.79 2jpi s ASN 60 N -1.29 4.61 -0.09 1.48 0.01 -1.08 -4.09 114.94 114.50 2jpi s ASN 60 Ca 0.10 -1.91 -0.06 0.00 -0.71 0.00 0.00 52.86 50.28 2jpi s ASN 60 Cb -0.10 -1.55 0.03 0.00 0.41 0.00 0.00 41.25 40.05 2jpi s ASN 60 CO 0.02 -0.33 0.23 -0.44 -1.51 0.00 0.00 177.10 175.07 2jpi s SER 61 N 1.01 -0.23 0.00 -1.22 0.01 -1.23 0.15 113.70 112.19 2jpi s SER 61 Ca 0.06 0.46 0.11 0.00 1.31 0.00 0.00 55.95 57.90 2jpi s SER 61 Cb -0.19 0.42 0.50 0.00 0.21 0.00 0.00 66.02 66.96 2jpi s SER 61 CO -0.08 -0.11 1.35 -0.81 0.41 0.00 0.00 173.24 173.99 2jpi n PRO 62 N 3.52 0.03 -3.93 12.44 -0.04 -1.26 -1.74 135.00 144.01 2jpi n PRO 62 Ca -0.18 0.28 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 2jpi n PRO 62 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 2jpi n PRO 62 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jpi s ASP 63 N -2.93 0.13 0.21 3.54 2.15 -1.26 -4.02 116.67 114.50 2jpi s ASP 63 Ca 0.06 -0.29 -0.09 0.00 0.43 0.00 0.00 52.55 52.66 2jpi s ASP 63 Cb 0.08 0.08 0.20 0.00 -0.30 0.00 0.00 42.92 42.97 2jpi s ASP 63 CO 0.20 -0.19 1.86 -0.33 -0.17 0.00 0.00 175.17 176.54 2jpi h GLU 64 N 5.19 0.91 -0.43 4.34 3.07 -1.97 0.91 114.58 126.61 2jpi h GLU 64 Ca -0.29 -0.05 0.08 0.00 -0.50 0.00 0.00 59.36 58.60 2jpi h GLU 64 Cb 1.21 -0.20 -0.09 0.00 -0.84 0.00 0.00 28.75 28.82 2jpi h GLU 64 CO 0.44 0.60 -0.33 0.22 -1.40 0.00 0.00 179.01 178.55 2jpi h ASP 65 N 0.94 -1.09 0.65 1.42 3.58 -1.97 1.39 116.42 121.33 2jpi h ASP 65 Ca 0.29 0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.91 2jpi h ASP 65 Cb -0.01 0.52 0.01 0.00 1.72 0.00 0.00 39.33 41.56 2jpi h ASP 65 CO -0.10 -0.32 -0.31 0.28 -2.88 0.00 0.00 179.24 175.91 2jpi h SER 66 N -0.24 -0.74 -0.97 2.28 0.02 -1.82 0.52 113.55 112.60 2jpi h SER 66 Ca 0.18 -0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 2jpi h SER 66 Cb 0.54 0.19 -0.12 0.00 0.14 0.00 0.00 62.40 63.15 2jpi h SER 66 CO -0.56 -0.47 -0.57 -0.11 -1.14 0.00 0.00 176.83 173.98 2jpi n LEU 67 N -5.43 -1.03 -0.09 5.07 0.00 0.31 -0.08 117.00 115.75 2jpi n LEU 67 Ca -0.13 1.76 -0.05 0.00 0.00 0.00 0.00 56.01 57.59 2jpi n LEU 67 Cb 0.36 -0.24 0.14 0.00 0.00 0.00 0.00 43.42 43.69 2jpi n LEU 67 CO 0.36 -1.42 0.81 0.00 0.00 0.00 0.00 177.39 177.14 2jpi h ALA 68 N 0.46 1.03 -0.86 1.96 0.00 0.18 -0.55 119.26 121.48 2jpi h ALA 68 Ca 0.16 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.88 2jpi h ALA 68 Cb 0.40 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2jpi h ALA 68 CO -0.91 0.59 0.56 1.25 0.00 0.00 0.00 179.25 180.73 2jpi h HIS 69 N 0.68 0.83 0.00 0.00 -0.00 0.19 0.23 115.15 117.08 2jpi h HIS 69 Ca 0.12 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2jpi h HIS 69 Cb 0.56 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.71 2jpi h HIS 69 CO 0.03 0.35 -0.02 0.52 -0.00 0.00 0.00 177.93 178.80 2jpi h MET 70 N 0.74 0.00 -0.36 5.26 2.86 0.03 -2.42 114.93 121.04 2jpi h MET 70 Ca 0.42 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 58.16 2jpi h MET 70 Cb 0.58 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2jpi h MET 70 CO -0.18 0.24 0.31 -0.56 1.06 0.00 0.00 176.91 177.78 2jpi h GLN 71 N -1.00 0.00 0.13 1.72 3.07 -0.96 -1.92 115.11 116.15 2jpi h GLN 71 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.51 2jpi h GLN 71 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.82 2jpi h GLN 71 CO -0.00 0.00 -1.05 -0.97 0.09 0.00 0.00 178.83 176.90 2jpi h ASN 72 N 0.00 0.45 -0.96 0.06 -1.24 -0.65 -3.21 115.58 110.02 2jpi h ASN 72 Ca 0.17 -0.91 0.30 0.00 0.71 0.00 0.00 56.30 56.57 2jpi h ASN 72 Cb 0.79 -0.15 -0.15 0.00 0.73 0.00 0.00 38.32 39.55 2jpi h ASN 72 CO -0.00 1.48 0.42 0.58 -1.29 0.00 0.00 177.43 178.62 2jpi h VAL 73 N -0.34 0.26 -0.13 2.57 2.07 -0.82 0.29 116.25 120.15 2jpi h VAL 73 Ca -0.20 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2jpi h VAL 73 Cb 1.70 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2jpi h VAL 73 CO 0.12 0.04 -0.14 0.58 0.02 0.00 0.00 177.57 178.19 2jpi h VAL 74 N 0.23 1.36 -0.90 2.57 2.07 -1.64 -2.81 116.25 117.13 2jpi h VAL 74 Ca 0.68 -1.32 0.26 0.00 0.82 0.00 0.00 66.70 67.13 2jpi h VAL 74 Cb 1.51 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 2jpi h VAL 74 CO -0.66 0.38 0.77 0.00 0.02 0.00 0.00 177.57 178.09 2jpi h ALA 75 N 0.59 2.76 0.00 1.67 0.00 -0.46 0.71 119.26 124.53 2jpi h ALA 75 Ca 0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 2jpi h ALA 75 Cb 0.68 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.56 2jpi h ALA 75 CO 0.04 -1.23 -0.86 0.22 0.00 0.00 0.00 179.25 177.41 2jpi h ASP 76 N 0.00 0.75 -0.84 0.00 1.82 -1.09 -3.16 116.42 113.91 2jpi h ASP 76 Ca 0.43 -0.75 0.01 0.00 -0.39 0.00 0.00 57.03 56.32 2jpi h ASP 76 Cb 1.96 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 41.70 2jpi h ASP 76 CO -0.00 1.40 0.55 0.45 -1.61 0.00 0.00 179.24 180.03 2jpi h HIS 77 N 0.18 1.05 0.00 0.28 3.86 0.57 -1.27 115.15 119.82 2jpi h HIS 77 Ca -0.11 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2jpi h HIS 77 Cb 1.54 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2jpi h HIS 77 CO 0.12 0.67 0.00 -0.07 0.86 0.00 0.00 177.93 179.51 2jpi h LEU 78 N 1.13 0.00 0.37 2.43 3.38 -1.45 -3.11 115.31 118.07 2jpi h LEU 78 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2jpi h LEU 78 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2jpi h LEU 78 CO -0.07 0.00 -0.18 1.56 0.09 0.00 0.00 178.44 179.85 2jpi h GLN 79 N 0.00 -0.48 -0.26 1.13 1.08 -1.19 -2.88 115.11 112.51 2jpi h GLN 79 Ca 0.00 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.31 2jpi h GLN 79 Cb 0.39 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2jpi h GLN 79 CO 0.00 -0.32 0.20 0.07 -0.95 0.00 0.00 178.83 177.83 2jpi h ARG 80 N -1.02 0.00 0.00 1.46 0.11 -1.56 1.21 114.38 114.58 2jpi h ARG 80 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2jpi h ARG 80 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 2jpi h ARG 80 CO 0.08 0.00 -0.08 0.00 0.10 0.00 0.00 179.97 180.08 2jpi h MET 81 N 0.00 0.00 0.00 0.08 -0.00 -1.61 -3.38 114.93 110.02 2jpi h MET 81 Ca 0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.69 2jpi h MET 81 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.11 2jpi h MET 81 CO -0.00 0.00 -1.42 0.00 -0.00 0.00 0.00 176.91 175.49 2jpi n ALA 82 N -1.92 2.44 -0.52 -3.00 0.00 -0.17 -5.10 120.51 112.24 2jpi n ALA 82 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2jpi n ALA 82 Cb 0.47 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.30 2jpi n ALA 82 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jpi n ASN 83 N -3.40 -2.77 0.00 0.00 3.02 0.40 -4.87 115.26 107.63 2jpi n ASN 83 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2jpi n ASN 83 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 2jpi n ASN 83 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2jpi n SER 84 N -1.21 0.00 -4.78 6.41 7.64 -1.26 -4.76 113.62 115.65 2jpi n SER 84 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 2jpi n SER 84 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2jpi n SER 84 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2jpi s GLU 85 N 0.00 2.83 -1.13 1.43 -1.05 -1.26 -5.01 118.70 114.51 2jpi s GLU 85 Ca 0.00 -0.96 -0.18 0.00 -0.15 0.00 0.00 54.97 53.68 2jpi s GLU 85 Cb 0.00 -2.58 -0.05 0.00 -0.44 0.00 0.00 34.13 31.06 2jpi s GLU 85 CO 0.00 0.46 2.05 0.45 0.95 0.00 0.00 175.26 179.16 2jpi n SER 86 N -0.54 3.29 -0.56 0.83 2.88 -1.26 -4.76 113.62 113.50 2jpi n SER 86 Ca -0.08 -2.77 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 2jpi n SER 86 Cb 0.56 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 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 7.31 -0.43 -4.55 2.46 7.99 -1.26 -4.64 117.00 123.88 2jpi n LEU 87 Ca 0.50 0.22 -0.37 0.00 -0.01 0.00 0.00 56.01 56.36 2jpi n LEU 87 Cb 0.40 -0.35 -0.03 0.00 -0.11 0.00 0.00 43.42 43.34 2jpi n LEU 87 CO 0.94 -0.46 1.51 -0.70 -1.51 0.00 0.00 177.39 177.17 2jpi s GLU 88 N 0.00 2.71 -0.06 3.23 -6.30 -1.26 -4.92 118.70 112.10 2jpi s GLU 88 Ca 0.00 0.32 0.01 0.00 -2.50 0.00 0.00 54.97 52.80 2jpi s GLU 88 Cb 0.00 -4.49 0.02 0.00 0.00 0.00 0.00 34.13 29.66 2jpi s GLU 88 CO 0.00 -2.75 -0.06 0.96 0.02 0.00 0.00 175.26 173.43 2jpi s ILE 89 N 8.73 0.71 -0.40 -3.70 -0.00 -1.26 -4.81 121.20 120.46 2jpi s ILE 89 Ca 0.63 -0.21 -0.15 0.00 -0.00 0.00 0.00 60.65 60.92 2jpi s ILE 89 Cb -0.11 -0.71 0.02 0.00 -0.00 0.00 0.00 42.46 41.65 2jpi s ILE 89 CO 0.16 0.27 0.32 0.00 -0.00 0.00 0.00 174.94 175.69 2jpi s ALA 90 N 0.95 3.47 -0.05 2.27 0.00 -1.26 -5.03 121.76 122.11 2jpi s ALA 90 Ca -0.10 -1.63 -0.18 0.00 0.00 0.00 0.00 51.96 50.05 2jpi s ALA 90 Cb -0.14 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 2jpi s ALA 90 CO 0.00 -1.42 0.49 1.67 0.00 0.00 0.00 175.76 176.50 2jpi s TRP 91 N 1.78 3.62 0.31 0.00 -2.14 -1.26 -4.07 118.94 117.18 2jpi s TRP 91 Ca 0.07 1.00 -0.09 0.00 2.66 0.00 0.00 56.10 59.74 2jpi s TRP 91 Cb -0.18 -2.49 -0.06 0.00 -3.10 0.00 0.00 33.47 27.63 2jpi s TRP 91 CO 0.11 0.36 0.64 -0.65 -2.66 0.00 0.00 176.95 174.74 2jpi s GLN 92 N -0.09 3.76 0.35 3.25 -0.21 -1.25 -4.97 119.66 120.50 2jpi s GLN 92 Ca 0.26 0.29 0.14 0.00 0.02 0.00 0.00 55.36 56.08 2jpi s GLN 92 Cb -0.16 -2.54 1.03 0.00 1.00 0.00 0.00 33.01 32.33 2jpi s GLN 92 CO 0.13 0.16 1.72 -1.35 -2.12 0.00 0.00 175.29 173.82 2jpi h PRO 93 N 1.83 0.43 -0.00 2.91 0.11 -1.95 -3.42 132.00 131.91 2jpi h PRO 93 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jpi h PRO 93 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jpi h PRO 93 CO 0.66 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.73 2jpi n ALA 94 N -2.37 0.00 -3.86 -0.75 0.00 -1.26 -4.82 120.51 107.46 2jpi n ALA 94 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.70 2jpi n ALA 94 Cb 0.88 -0.10 0.01 0.00 0.00 0.00 0.00 19.45 20.24 2jpi n ALA 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jpi s GLU 95 N -1.61 1.17 0.00 0.00 2.12 -1.24 -1.28 118.70 117.86 2jpi s GLU 95 Ca 0.00 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.60 2jpi s GLU 95 Cb 0.00 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.73 2jpi s GLU 95 CO 0.00 -0.54 0.00 -1.13 -0.54 0.00 0.00 175.26 173.05