#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 2.78 -0.14 3.17 0.08 -0.48 -4.89 117.98 118.50 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 -0.56 0.31 0.50 -0.10 0.00 0.00 175.22 175.37 2jpi s ARG 3 N -4.47 0.24 0.31 0.44 6.06 0.08 -3.34 118.95 118.27 2jpi s ARG 3 Ca 0.56 0.74 0.10 0.00 -2.50 0.00 0.00 55.73 54.63 2jpi s ARG 3 Cb -0.10 0.00 -0.05 0.00 0.06 0.00 0.00 34.95 34.86 2jpi s ARG 3 CO 0.35 -0.22 -0.02 0.45 -2.50 0.00 0.00 175.30 173.35 2jpi s SER 4 N 1.93 4.18 -0.11 -2.12 0.15 -1.26 -3.73 113.70 112.75 2jpi s SER 4 Ca -0.04 -0.91 -0.05 0.00 0.70 0.00 0.00 55.95 55.65 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 -0.14 0.23 0.42 1.20 0.00 0.00 173.24 174.85 2jpi s THR 5 N -2.47 -0.17 -0.13 6.45 -4.23 -1.26 -3.49 115.64 110.34 2jpi s THR 5 Ca 0.33 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 61.02 2jpi s THR 5 Cb -0.02 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.41 2jpi s THR 5 CO 0.19 0.09 -0.01 -0.55 -0.54 0.00 0.00 174.62 173.79 2jpi s SER 6 N 1.69 5.06 -0.10 3.99 0.15 -0.42 -3.73 113.70 120.34 2jpi s SER 6 Ca -0.05 -0.00 0.04 0.00 0.70 0.00 0.00 55.95 56.64 2jpi s SER 6 Cb -0.11 -1.67 -0.00 0.00 -1.71 0.00 0.00 66.02 62.53 2jpi s SER 6 CO -0.08 0.25 -0.23 -2.28 1.20 0.00 0.00 173.24 172.11 2jpi s HIS 7 N -0.12 2.58 0.03 3.44 2.46 -1.25 -1.36 115.29 121.07 2jpi s HIS 7 Ca 0.04 -0.95 -0.01 0.00 0.47 0.00 0.00 55.06 54.61 2jpi s HIS 7 Cb -0.13 -1.72 -0.03 0.00 -0.13 0.00 0.00 32.58 30.58 2jpi s HIS 7 CO 0.02 -0.36 -0.02 0.08 -2.47 0.00 0.00 174.74 171.99 2jpi s VAL 8 N 0.27 0.15 -0.47 0.89 1.01 -1.04 -4.14 120.40 117.07 2jpi s VAL 8 Ca -0.16 -1.21 -0.16 0.00 0.00 0.00 0.00 61.98 60.45 2jpi s VAL 8 Cb -0.17 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.56 2jpi s VAL 8 CO 0.08 -0.67 0.42 -0.13 0.00 0.00 0.00 175.10 174.80 2jpi s ARG 9 N -2.33 3.00 0.13 2.72 3.00 -1.26 -2.36 118.95 121.86 2jpi s ARG 9 Ca -0.08 -1.23 0.05 0.00 0.00 0.00 0.00 55.73 54.48 2jpi s ARG 9 Cb -0.04 -4.11 -0.04 0.00 0.00 0.00 0.00 34.95 30.77 2jpi s ARG 9 CO -0.04 -1.02 -0.13 -0.08 0.00 0.00 0.00 175.30 174.03 2jpi s THR 10 N 1.81 1.28 0.00 0.02 -1.32 -1.08 -4.98 115.64 111.38 2jpi s THR 10 Ca 0.06 -1.85 0.00 0.00 -1.21 0.00 0.00 61.69 58.69 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 0.08 -0.54 0.05 -1.61 -2.21 0.00 0.00 174.62 170.39 2jpi s GLU 11 N -3.08 2.95 -1.88 7.08 2.02 -1.26 -2.05 118.70 122.48 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 0.02 0.63 0.00 0.45 0.02 0.00 0.00 175.26 176.39 2jpi n SER 12 N 1.21 -5.60 -0.07 -0.19 2.88 0.44 -4.89 113.62 107.39 2jpi n SER 12 Ca -0.13 0.18 -0.07 0.00 -1.33 0.00 0.00 58.87 57.52 2jpi n SER 12 Cb 0.53 -4.77 -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 0.66 -0.06 -1.18 -1.46 0.00 -1.70 -2.50 119.26 113.02 2jpi h ALA 13 Ca -0.46 0.10 0.34 0.00 0.00 0.00 0.00 54.91 54.89 2jpi h ALA 13 Cb 1.34 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 2jpi h ALA 13 CO 0.58 -0.64 1.17 0.00 0.00 0.00 0.00 179.25 180.36 2jpi h ALA 14 N 0.90 3.09 0.26 0.00 0.00 -1.54 0.42 119.26 122.39 2jpi h ALA 14 Ca 0.15 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.69 2jpi h ALA 14 Cb 0.45 0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.37 2jpi h ALA 14 CO -0.42 -1.78 -1.48 -0.09 0.00 0.00 0.00 179.25 175.49 2jpi h ARG 15 N 0.00 0.55 0.00 0.00 1.12 -1.74 -2.63 114.38 111.67 2jpi h ARG 15 Ca 0.56 -0.93 -0.02 0.00 -1.11 0.00 0.00 59.98 58.48 2jpi h ARG 15 Cb 2.89 0.35 -0.00 0.00 -0.01 0.00 0.00 29.97 33.19 2jpi h ARG 15 CO -0.01 1.45 -0.11 1.88 -3.11 0.00 0.00 179.97 180.07 2jpi h TYR 16 N 0.14 0.00 0.07 2.20 0.05 -0.28 0.24 116.97 119.39 2jpi h TYR 16 Ca -0.26 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.40 2jpi h TYR 16 Cb 2.17 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.92 2jpi h TYR 16 CO 0.13 0.11 -0.53 0.28 -1.05 0.00 0.00 178.16 177.10 2jpi h VAL 17 N 0.00 1.56 0.00 -2.88 2.07 -1.47 -3.07 116.25 112.46 2jpi h VAL 17 Ca -0.00 -2.32 -0.07 0.00 0.82 0.00 0.00 66.70 65.12 2jpi h VAL 17 Cb 0.36 3.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 2jpi h VAL 17 CO 0.01 0.65 -0.34 0.78 0.02 0.00 0.00 177.57 178.69 2jpi h ASN 18 N -0.47 0.00 1.64 0.57 -0.26 -1.07 -2.77 115.58 113.22 2jpi h ASN 18 Ca -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 2jpi h ASN 18 Cb 1.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.62 2jpi h ASN 18 CO 0.10 0.34 0.00 -0.09 -1.06 0.00 0.00 177.43 176.72 2jpi h ARG 19 N 0.00 0.00 -0.10 0.81 2.43 -0.61 -3.31 114.38 113.60 2jpi h ARG 19 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 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 0.04 0.00 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.30 2jpi h LEU 20 N 0.00 0.29 -1.71 3.80 3.38 -1.38 -0.45 115.31 119.23 2jpi h LEU 20 Ca 0.00 -0.53 0.10 0.00 0.09 0.00 0.00 57.88 57.55 2jpi h LEU 20 Cb 0.82 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2jpi h LEU 20 CO 0.00 0.76 0.38 0.00 0.09 0.00 0.00 178.44 179.67 2jpi h LYS 22 N 0.32 0.00 0.00 0.00 1.57 -1.67 -2.04 116.57 114.76 2jpi h LYS 22 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 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 0.05 -0.23 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 0.14 -3.40 115.15 113.30 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 1.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.02 2jpi h HIS 23 CO 0.00 0.00 -0.55 0.91 -1.30 0.00 0.00 177.93 176.99 2jpi n TRP 24 N -4.45 0.13 -0.75 5.26 5.03 0.13 -4.56 117.44 118.24 2jpi n TRP 24 Ca -0.03 0.04 -0.24 0.00 3.03 0.00 0.00 57.50 60.30 2jpi n TRP 24 Cb 0.12 -0.35 -0.02 0.00 -1.03 0.00 0.00 31.31 30.02 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 1.46 2.92 0.03 6.99 0.00 -0.77 -3.93 105.19 111.89 2jpi n GLY 25 Ca 0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 46.02 45.21 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 4.79 0.00 -2.03 1.61 -0.00 -1.26 -4.77 115.22 113.55 2jpi n HIS 26 Ca 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 58.14 2jpi n HIS 26 Cb 0.16 -0.37 -0.00 0.00 -0.00 0.00 0.00 29.99 29.78 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 -2.16 0.00 -4.15 1.57 0.00 -1.25 -5.12 118.16 107.05 2jpi n LYS 27 Ca -0.10 -0.56 -0.10 0.00 0.00 0.00 0.00 58.31 57.55 2jpi n LYS 27 Cb 0.60 -0.14 -0.10 0.00 0.00 0.00 0.00 35.03 35.40 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 0.87 -0.55 5.64 0.08 -1.26 -5.11 117.98 117.65 2jpi s PHE 28 Ca 0.02 -1.23 -0.25 0.00 0.12 0.00 0.00 56.93 55.59 2jpi s PHE 28 Cb 0.02 -0.47 0.04 0.00 -0.57 0.00 0.00 43.02 42.04 2jpi s PHE 28 CO -0.01 -0.54 1.00 -1.83 -0.10 0.00 0.00 175.22 173.74 2jpi s GLU 29 N -4.05 3.40 -0.23 0.44 1.03 -1.26 -4.77 118.70 113.26 2jpi s GLU 29 Ca 0.25 -0.08 0.01 0.00 0.03 0.00 0.00 54.97 55.19 2jpi s GLU 29 Cb 0.07 -4.03 0.04 0.00 -0.80 0.00 0.00 34.13 29.42 2jpi s GLU 29 CO 0.03 -1.50 -0.13 0.14 -1.33 0.00 0.00 175.26 172.47 2jpi s VAL 30 N 4.17 2.27 -0.00 1.83 -7.23 -1.25 -3.26 120.40 116.92 2jpi s VAL 30 Ca 0.34 -1.29 -0.15 0.00 -1.81 0.00 0.00 61.98 59.07 2jpi s VAL 30 Cb -0.11 -2.18 -0.06 0.00 0.56 0.00 0.00 36.38 34.60 2jpi s VAL 30 CO 0.22 0.20 0.42 -1.61 -0.31 0.00 0.00 175.10 174.02 2jpi s GLU 31 N 1.21 3.96 -0.26 4.82 2.02 0.20 -4.92 118.70 125.73 2jpi s GLU 31 Ca -0.03 0.43 0.02 0.00 0.02 0.00 0.00 54.97 55.42 2jpi s GLU 31 Cb -0.17 -3.23 0.07 0.00 0.10 0.00 0.00 34.13 30.89 2jpi s GLU 31 CO -0.08 0.66 -0.07 -1.17 0.02 0.00 0.00 175.26 174.63 2jpi s LEU 32 N -1.00 3.33 0.25 1.80 0.20 -1.26 -2.20 118.68 119.79 2jpi s LEU 32 Ca 0.24 -1.44 0.07 0.00 0.69 0.00 0.00 54.13 53.69 2jpi s LEU 32 Cb -0.17 -1.43 -0.05 0.00 -0.43 0.00 0.00 46.19 44.11 2jpi s LEU 32 CO 0.14 -0.24 -0.09 0.42 -0.29 0.00 0.00 176.35 176.29 2jpi s THR 33 N 1.18 1.63 0.00 3.68 -4.23 -1.18 -5.02 115.64 111.69 2jpi s THR 33 Ca -0.05 -2.15 -0.04 0.00 -1.18 0.00 0.00 61.69 58.27 2jpi s THR 33 Cb -0.19 -2.29 -0.19 0.00 1.34 0.00 0.00 72.50 71.17 2jpi s THR 33 CO -0.06 -0.42 2.91 -0.81 -0.54 0.00 0.00 174.62 175.70 2jpi n PRO 34 N -0.49 1.56 0.00 3.99 -0.04 -1.26 -3.06 135.00 135.69 2jpi n PRO 34 Ca -0.06 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 2jpi n PRO 34 Cb 0.62 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 2.38 0.00 -3.69 0.54 -0.58 -1.26 -5.06 120.64 112.97 2jpi n GLU 35 Ca 0.30 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 57.03 2jpi n GLU 35 Cb 0.72 -0.11 -0.01 0.00 -0.57 0.00 0.00 31.44 31.47 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 -1.00 0.84 -0.26 3.49 3.03 -1.17 -2.47 118.95 121.40 2jpi s ARG 36 Ca 0.00 -0.46 -0.06 0.00 2.03 0.00 0.00 55.73 57.24 2jpi s ARG 36 Cb 0.00 0.29 -0.00 0.00 -1.03 0.00 0.00 34.95 34.21 2jpi s ARG 36 CO 0.00 -0.39 0.04 0.20 -1.13 0.00 0.00 175.30 174.02 2jpi s GLY 37 N -2.94 1.73 -0.26 3.88 0.00 -0.25 -3.11 107.32 106.36 2jpi s GLY 37 Ca 0.13 -1.31 -0.11 0.00 0.00 0.00 0.00 44.72 43.43 2jpi s GLY 37 CO -0.01 0.56 0.19 -0.12 0.00 0.00 0.00 173.10 173.72 2jpi s PHE 38 N 1.51 3.27 -0.26 1.90 5.36 -0.94 -1.77 117.98 127.05 2jpi s PHE 38 Ca 0.04 0.19 -0.03 0.00 -0.96 0.00 0.00 56.93 56.17 2jpi s PHE 38 Cb -0.16 -2.34 0.09 0.00 -0.34 0.00 0.00 43.02 40.26 2jpi s PHE 38 CO 0.01 -0.06 0.09 0.42 -1.46 0.00 0.00 175.22 174.22 2jpi s ILE 39 N 1.46 0.36 -0.15 3.12 1.01 -0.82 -0.62 121.20 125.55 2jpi s ILE 39 Ca 0.08 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 2jpi s ILE 39 Cb -0.15 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 2jpi s ILE 39 CO 0.08 -0.55 0.09 1.51 0.00 0.00 0.00 174.94 176.07 2jpi s ASP 40 N 1.90 5.91 0.00 3.58 -4.77 -1.20 -1.75 116.67 120.33 2jpi s ASP 40 Ca 0.06 0.24 0.22 0.00 -3.30 0.00 0.00 52.55 49.77 2jpi s ASP 40 Cb -0.17 -1.94 0.68 0.00 -1.09 0.00 0.00 42.92 40.40 2jpi s ASP 40 CO -0.24 0.28 1.52 0.49 0.70 0.00 0.00 175.17 177.92 2jpi n PHE 41 N 2.85 0.23 0.00 2.11 3.72 -1.25 -4.31 117.46 120.80 2jpi n PHE 41 Ca -0.18 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 2jpi n PHE 41 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2jpi n PHE 41 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jpi n GLY 42 N 1.23 2.31 2.56 1.37 0.00 -1.26 -4.80 105.19 106.60 2jpi n GLY 42 Ca 0.17 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 1.12 7.10 0.00 1.61 8.00 -1.26 -4.90 116.55 128.22 2jpi n ASP 43 Ca 0.00 -3.53 0.00 0.00 0.71 0.00 0.00 54.79 51.97 2jpi n ASP 43 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 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 -0.04 0.00 -3.43 -2.24 3.41 -1.26 -4.29 113.62 105.77 2jpi n SER 44 Ca 0.51 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.01 2jpi n SER 44 Cb 0.45 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 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 -3.62 -0.54 -0.28 4.04 0.01 0.46 -3.82 114.94 111.19 2jpi s ASN 45 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 2jpi s ASN 45 Cb 0.00 0.57 0.15 0.00 0.41 0.00 0.00 41.25 42.38 2jpi s ASN 45 CO 0.00 -0.92 0.37 0.00 -1.51 0.00 0.00 177.10 175.04 2jpi s GLU 47 N 2.50 3.15 -0.15 0.00 2.12 0.49 -1.94 118.70 124.87 2jpi s GLU 47 Ca 0.10 -0.72 -0.04 0.00 0.36 0.00 0.00 54.97 54.67 2jpi s GLU 47 Cb -0.13 -2.81 0.05 0.00 0.26 0.00 0.00 34.13 31.50 2jpi s GLU 47 CO -0.28 0.51 0.07 -1.17 -0.54 0.00 0.00 175.26 173.86 2jpi s LEU 48 N -3.06 0.43 -0.06 2.70 2.96 -0.73 -2.40 118.68 118.53 2jpi s LEU 48 Ca 0.33 -0.52 -0.21 0.00 -0.22 0.00 0.00 54.13 53.51 2jpi s LEU 48 Cb -0.11 -0.28 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 2jpi s LEU 48 CO 0.26 -0.32 0.62 -0.22 -1.32 0.00 0.00 176.35 175.36 2jpi s LEU 49 N 2.10 4.34 -0.15 -0.68 2.96 0.32 -1.09 118.68 126.48 2jpi s LEU 49 Ca 0.02 1.10 -0.04 0.00 -0.22 0.00 0.00 54.13 54.99 2jpi s LEU 49 Cb -0.15 -2.95 0.07 0.00 0.50 0.00 0.00 46.19 43.66 2jpi s LEU 49 CO -0.08 -0.02 0.19 0.00 -1.32 0.00 0.00 176.35 175.13 2jpi s ALA 50 N 0.42 -0.19 0.34 5.97 0.00 -1.03 0.11 121.76 127.38 2jpi s ALA 50 Ca 0.33 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.74 2jpi s ALA 50 Cb -0.17 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 2jpi s ALA 50 CO 0.16 -0.92 0.11 -1.58 0.00 0.00 0.00 175.76 173.53 2jpi s HIS 51 N 2.31 2.68 0.63 0.00 2.46 0.27 -2.53 115.29 121.09 2jpi s HIS 51 Ca 0.04 -0.39 0.15 0.00 0.47 0.00 0.00 55.06 55.34 2jpi s HIS 51 Cb -0.14 -1.60 0.82 0.00 -0.13 0.00 0.00 32.58 31.53 2jpi s HIS 51 CO -0.09 0.37 1.45 -1.35 -2.47 0.00 0.00 174.74 172.65 2jpi h PRO 52 N 1.60 0.00 0.00 2.88 0.11 -1.91 -2.53 132.00 132.15 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 0.64 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.96 2jpi n ASP 53 N -2.65 0.00 -3.86 -2.05 -0.08 -1.21 -0.42 116.55 106.28 2jpi n ASP 53 Ca -0.01 -1.00 -0.10 0.00 -1.51 0.00 0.00 54.79 52.17 2jpi n ASP 53 Cb 0.66 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.04 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 0.12 -0.02 -0.67 -3.43 -0.87 -2.64 115.29 107.78 2jpi s HIS 54 Ca 0.00 -0.45 -0.02 0.00 -0.80 0.00 0.00 55.06 53.80 2jpi s HIS 54 Cb 0.00 -0.06 0.01 0.00 -1.43 0.00 0.00 32.58 31.10 2jpi s HIS 54 CO 0.00 -0.47 0.05 0.54 -2.00 0.00 0.00 174.74 172.86 2jpi s VAL 55 N -3.16 -0.01 0.07 -5.38 0.11 -1.00 0.94 120.40 111.97 2jpi s VAL 55 Ca -0.00 0.03 0.09 0.00 -2.93 0.00 0.00 61.98 59.17 2jpi s VAL 55 Cb 0.02 -0.08 -0.03 0.00 -1.53 0.00 0.00 36.38 34.75 2jpi s VAL 55 CO -0.07 0.01 -0.25 -0.76 -3.33 0.00 0.00 175.10 170.70 2jpi s LEU 56 N 0.19 2.22 -0.18 2.54 1.43 0.30 -2.51 118.68 122.68 2jpi s LEU 56 Ca -0.01 -0.63 -0.00 0.00 -1.03 0.00 0.00 54.13 52.45 2jpi s LEU 56 Cb -0.02 -1.19 0.05 0.00 0.03 0.00 0.00 46.19 45.06 2jpi s LEU 56 CO -0.01 0.21 -0.05 -0.04 0.23 0.00 0.00 176.35 176.69 2jpi s MET 57 N -1.52 1.43 -0.03 1.70 -1.94 -0.46 0.12 119.30 118.60 2jpi s MET 57 Ca 0.11 -0.59 0.05 0.00 -1.71 0.00 0.00 55.69 53.56 2jpi s MET 57 Cb -0.10 -2.11 -0.01 0.00 2.01 0.00 0.00 34.83 34.62 2jpi s MET 57 CO 0.03 -0.47 -0.19 0.42 -0.01 0.00 0.00 175.02 174.80 2jpi s ILE 58 N 1.61 1.56 0.04 2.53 1.01 -1.01 -1.30 121.20 125.63 2jpi s ILE 58 Ca -0.00 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.91 2jpi s ILE 58 Cb -0.16 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 2jpi s ILE 58 CO -0.08 0.44 -0.22 -1.48 0.00 0.00 0.00 174.94 173.61 2jpi s LEU 59 N -0.20 2.15 -0.31 2.97 -0.00 -1.23 -0.38 118.68 121.69 2jpi s LEU 59 Ca 0.01 -0.52 0.03 0.00 -0.00 0.00 0.00 54.13 53.66 2jpi s LEU 59 Cb -0.10 -1.04 0.09 0.00 -0.00 0.00 0.00 46.19 45.14 2jpi s LEU 59 CO 0.01 0.19 0.01 0.20 -0.00 0.00 0.00 176.35 176.76 2jpi s ASN 60 N -1.11 4.62 -0.05 1.48 0.01 -0.96 -4.02 114.94 114.92 2jpi s ASN 60 Ca 0.08 -1.91 -0.03 0.00 -0.71 0.00 0.00 52.86 50.29 2jpi s ASN 60 Cb -0.09 -1.56 0.02 0.00 0.41 0.00 0.00 41.25 40.03 2jpi s ASN 60 CO 0.01 -0.33 0.11 -0.44 -1.51 0.00 0.00 177.10 174.95 2jpi s SER 61 N 1.00 -0.10 0.00 -1.22 0.01 -1.21 0.17 113.70 112.36 2jpi s SER 61 Ca 0.05 0.23 0.13 0.00 1.31 0.00 0.00 55.95 57.67 2jpi s SER 61 Cb -0.19 0.18 0.62 0.00 0.21 0.00 0.00 66.02 66.85 2jpi s SER 61 CO -0.08 -0.08 1.37 -0.81 0.41 0.00 0.00 173.24 174.05 2jpi n PRO 62 N 3.52 0.11 -3.89 12.44 -0.04 -1.26 -1.39 135.00 144.50 2jpi n PRO 62 Ca -0.18 0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 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 0.16 -0.04 0.00 0.00 175.50 175.62 2jpi s ASP 63 N -2.74 0.04 0.20 3.54 -4.77 -1.26 -4.05 116.67 107.63 2jpi s ASP 63 Ca 0.10 -0.14 -0.11 0.00 -3.30 0.00 0.00 52.55 49.10 2jpi s ASP 63 Cb 0.09 0.16 0.16 0.00 -1.09 0.00 0.00 42.92 42.24 2jpi s ASP 63 CO 0.22 -0.21 1.85 -0.33 0.70 0.00 0.00 175.17 177.40 2jpi h GLU 64 N 5.09 0.82 -0.47 2.11 3.07 -1.97 0.86 114.58 124.10 2jpi h GLU 64 Ca -0.29 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 58.61 2jpi h GLU 64 Cb 1.20 -0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 28.83 2jpi h GLU 64 CO 0.43 0.54 -0.33 0.22 -1.40 0.00 0.00 179.01 178.47 2jpi h ASP 65 N 0.85 -1.12 0.65 1.42 3.58 -1.98 1.37 116.42 121.20 2jpi h ASP 65 Ca 0.26 0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.88 2jpi h ASP 65 Cb -0.02 0.53 0.01 0.00 1.72 0.00 0.00 39.33 41.57 2jpi h ASP 65 CO -0.09 -0.32 -0.31 -1.28 -2.88 0.00 0.00 179.24 174.36 2jpi h SER 66 N -0.22 -0.74 -0.93 2.28 0.87 -1.83 -0.35 113.55 112.62 2jpi h SER 66 Ca 0.19 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.84 2jpi h SER 66 Cb 0.54 0.19 -0.11 0.00 -0.44 0.00 0.00 62.40 62.58 2jpi h SER 66 CO -0.59 -0.49 -0.57 0.25 -0.53 0.00 0.00 176.83 174.90 2jpi h LEU 67 N -0.94 -2.07 -1.01 2.23 6.46 0.23 0.32 115.31 120.54 2jpi h LEU 67 Ca -0.09 0.31 -0.07 0.00 -0.12 0.00 0.00 57.88 57.91 2jpi h LEU 67 Cb 0.69 0.91 -0.02 0.00 -0.73 0.00 0.00 40.66 41.52 2jpi h LEU 67 CO 0.15 -0.23 -0.04 0.00 -0.62 0.00 0.00 178.44 177.70 2jpi h ALA 68 N 0.41 1.18 -0.96 1.25 0.00 0.18 -1.19 119.26 120.13 2jpi h ALA 68 Ca 0.15 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.94 2jpi h ALA 68 Cb 0.40 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 2jpi h ALA 68 CO -0.89 0.53 0.61 1.25 0.00 0.00 0.00 179.25 180.75 2jpi h HIS 69 N 0.62 1.01 0.04 0.00 -0.00 0.13 0.40 115.15 117.36 2jpi h HIS 69 Ca 0.12 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2jpi h HIS 69 Cb 0.45 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 2jpi h HIS 69 CO 0.02 0.36 -0.02 0.52 -0.00 0.00 0.00 177.93 178.81 2jpi h MET 70 N 0.84 -0.06 -0.25 5.26 2.86 -0.34 -2.25 114.93 121.00 2jpi h MET 70 Ca 0.49 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 58.21 2jpi h MET 70 Cb 0.64 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2jpi h MET 70 CO -0.26 0.18 0.20 -0.56 1.06 0.00 0.00 176.91 177.53 2jpi h GLN 71 N -1.00 0.00 0.08 1.72 3.07 -1.06 -2.48 115.11 115.44 2jpi h GLN 71 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.58 2jpi h GLN 71 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.83 2jpi h GLN 71 CO 0.01 0.00 -0.75 -0.97 0.09 0.00 0.00 178.83 177.21 2jpi h ASN 72 N 0.00 0.28 -0.98 0.06 -0.73 -0.31 -3.18 115.58 110.71 2jpi h ASN 72 Ca 0.12 -0.90 0.30 0.00 1.87 0.00 0.00 56.30 57.68 2jpi h ASN 72 Cb 0.52 -0.09 -0.14 0.00 0.27 0.00 0.00 38.32 38.88 2jpi h ASN 72 CO -0.00 1.34 0.52 0.58 -0.37 0.00 0.00 177.43 179.50 2jpi h VAL 73 N -0.59 0.34 -0.09 2.57 2.07 -0.94 0.11 116.25 119.72 2jpi h VAL 73 Ca -0.16 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2jpi h VAL 73 Cb 1.46 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2jpi h VAL 73 CO 0.06 0.06 -0.18 0.58 0.02 0.00 0.00 177.57 178.11 2jpi h VAL 74 N 0.35 1.40 -0.96 2.57 2.07 -1.64 -2.95 116.25 117.09 2jpi h VAL 74 Ca 0.69 -1.47 0.28 0.00 0.82 0.00 0.00 66.70 67.02 2jpi h VAL 74 Cb 1.52 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 33.39 2jpi h VAL 74 CO -0.59 0.42 0.83 0.00 0.02 0.00 0.00 177.57 178.24 2jpi h ALA 75 N 0.51 2.83 0.06 1.67 0.00 -0.78 0.75 119.26 124.29 2jpi h ALA 75 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 2jpi h ALA 75 Cb 0.77 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.65 2jpi h ALA 75 CO 0.04 -1.32 -1.00 0.22 0.00 0.00 0.00 179.25 177.19 2jpi h ASP 76 N 0.00 0.78 -0.79 0.00 3.58 -1.24 -3.17 116.42 115.58 2jpi h ASP 76 Ca 0.46 -0.80 0.01 0.00 0.42 0.00 0.00 57.03 57.12 2jpi h ASP 76 Cb 2.11 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 42.87 2jpi h ASP 76 CO -0.00 1.48 0.52 0.45 -2.88 0.00 0.00 179.24 178.81 2jpi h HIS 77 N 0.16 0.99 0.00 0.28 3.86 0.62 -0.94 115.15 120.12 2jpi h HIS 77 Ca -0.14 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.06 2jpi h HIS 77 Cb 1.69 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 29.83 2jpi h HIS 77 CO 0.13 0.61 -0.14 -0.07 0.86 0.00 0.00 177.93 179.31 2jpi h LEU 78 N 1.06 0.00 -0.10 2.43 3.38 -1.46 -2.77 115.31 117.85 2jpi h LEU 78 Ca 0.29 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 2jpi h LEU 78 Cb -0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.66 2jpi h LEU 78 CO -0.07 0.14 -0.49 -0.61 0.09 0.00 0.00 178.44 177.51 2jpi h GLN 79 N 0.00 0.50 -0.69 1.13 4.15 -1.16 -2.13 115.11 116.91 2jpi h GLN 79 Ca -0.00 -0.41 -0.00 0.00 0.77 0.00 0.00 58.65 59.01 2jpi h GLN 79 Cb 0.32 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 2jpi h GLN 79 CO 0.02 1.04 0.42 0.00 -1.93 0.00 0.00 178.83 178.38 2jpi h ARG 80 N 0.08 0.93 0.00 1.69 3.08 -1.13 -1.15 114.38 117.89 2jpi h ARG 80 Ca -0.03 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2jpi h ARG 80 Cb 1.14 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2jpi h ARG 80 CO 0.10 0.65 -0.09 0.00 -1.07 0.00 0.00 179.97 179.56 2jpi n MET 81 N -4.40 0.19 -3.62 0.04 0.00 -1.09 -4.48 117.12 103.76 2jpi n MET 81 Ca 0.07 0.14 -0.29 0.00 0.00 0.00 0.00 57.70 57.61 2jpi n MET 81 Cb 0.07 -1.70 -0.13 0.00 0.00 0.00 0.00 33.22 31.46 2jpi n MET 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jpi s ALA 82 N -3.08 1.68 -0.32 3.17 0.00 -0.44 -5.10 121.76 117.69 2jpi s ALA 82 Ca 0.11 -2.29 -0.25 0.00 0.00 0.00 0.00 51.96 49.54 2jpi s ALA 82 Cb 0.14 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.49 2jpi s ALA 82 CO 0.60 -2.06 0.86 -0.80 0.00 0.00 0.00 175.76 174.36 2jpi s ASN 83 N 0.68 6.72 0.00 0.00 -0.87 -1.22 -4.36 114.94 115.88 2jpi s ASN 83 Ca 0.17 0.72 0.00 0.00 -1.57 0.00 0.00 52.86 52.19 2jpi s ASN 83 Cb -0.24 -2.44 0.00 0.00 -0.02 0.00 0.00 41.25 38.55 2jpi s ASN 83 CO -0.01 -0.70 0.00 -1.54 -2.57 0.00 0.00 177.10 172.29 2jpi n SER 84 N 6.40 0.00 -3.70 -1.22 3.41 -1.26 -5.15 113.62 112.09 2jpi n SER 84 Ca 0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.59 2jpi n SER 84 Cb 0.48 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 2jpi n SER 84 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2jpi s GLU 85 N 0.00 1.44 -0.91 4.33 1.03 -1.26 -5.05 118.70 118.29 2jpi s GLU 85 Ca 0.00 -0.73 -0.21 0.00 0.03 0.00 0.00 54.97 54.06 2jpi s GLU 85 Cb 0.00 0.54 -0.12 0.00 -0.80 0.00 0.00 34.13 33.75 2jpi s GLU 85 CO 0.00 -0.65 1.97 -1.13 -1.33 0.00 0.00 175.26 174.12 2jpi n SER 86 N -0.42 2.79 -0.13 0.83 3.41 -1.26 -4.74 113.62 114.10 2jpi n SER 86 Ca -0.08 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 2jpi n SER 86 Cb 0.61 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 2jpi n SER 86 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jpi n LEU 87 N 7.67 -0.07 -4.55 1.04 7.99 -1.26 -4.62 117.00 123.20 2jpi n LEU 87 Ca 0.50 0.06 -0.37 0.00 -0.01 0.00 0.00 56.01 56.18 2jpi n LEU 87 Cb 0.41 -0.09 -0.03 0.00 -0.11 0.00 0.00 43.42 43.60 2jpi n LEU 87 CO 0.99 -0.11 1.51 -1.61 -1.51 0.00 0.00 177.39 176.67 2jpi s GLU 88 N 0.00 2.71 -0.05 3.23 2.02 -1.26 -4.92 118.70 120.42 2jpi s GLU 88 Ca 0.00 0.32 0.01 0.00 0.02 0.00 0.00 54.97 55.32 2jpi s GLU 88 Cb 0.00 -4.50 0.02 0.00 0.10 0.00 0.00 34.13 29.75 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 8.74 0.68 -0.42 -1.63 -0.00 -1.26 -4.81 121.20 122.49 2jpi s ILE 89 Ca 0.63 -0.20 -0.19 0.00 -0.00 0.00 0.00 60.65 60.90 2jpi s ILE 89 Cb -0.11 -0.68 0.02 0.00 -0.00 0.00 0.00 42.46 41.69 2jpi s ILE 89 CO 0.16 0.26 0.54 0.00 -0.00 0.00 0.00 174.94 175.90 2jpi s ALA 90 N 0.92 3.40 -0.11 2.27 0.00 -1.26 -5.00 121.76 121.97 2jpi s ALA 90 Ca -0.11 -1.30 -0.14 0.00 0.00 0.00 0.00 51.96 50.41 2jpi s ALA 90 Cb -0.15 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2jpi s ALA 90 CO 0.00 -1.62 0.34 1.67 0.00 0.00 0.00 175.76 176.16 2jpi s TRP 91 N 2.48 3.54 0.29 0.00 1.48 -1.26 -3.84 118.94 121.63 2jpi s TRP 91 Ca 0.18 0.74 -0.10 0.00 -1.06 0.00 0.00 56.10 55.86 2jpi s TRP 91 Cb -0.15 -2.34 -0.07 0.00 -1.16 0.00 0.00 33.47 29.74 2jpi s TRP 91 CO 0.16 0.35 0.63 -0.65 -4.06 0.00 0.00 176.95 173.38 2jpi s GLN 92 N 0.04 3.80 0.37 3.25 -0.21 -1.24 -4.97 119.66 120.70 2jpi s GLN 92 Ca 0.20 0.33 0.17 0.00 0.02 0.00 0.00 55.36 56.09 2jpi s GLN 92 Cb -0.14 -2.55 1.10 0.00 1.00 0.00 0.00 33.01 32.42 2jpi s GLN 92 CO 0.07 0.20 1.72 -1.35 -2.12 0.00 0.00 175.29 173.80 2jpi h PRO 93 N 2.07 0.36 0.00 2.91 0.11 -1.95 -3.41 132.00 132.09 2jpi h PRO 93 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jpi h PRO 93 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jpi h PRO 93 CO 0.67 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 2jpi n ALA 94 N -2.41 0.00 -1.35 -0.75 0.00 -1.26 -4.82 120.51 109.93 2jpi n ALA 94 Ca 0.29 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.89 2jpi n ALA 94 Cb 0.96 -0.08 -0.06 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.63 -2.80 0.00 0.00 2.13 -1.24 -0.74 120.64 116.35 2jpi n GLU 95 Ca 0.00 2.12 0.00 0.00 0.66 0.00 0.00 57.16 59.94 2jpi n GLU 95 Cb 0.04 -3.40 0.00 0.00 0.27 0.00 0.00 31.44 28.34 2jpi n GLU 95 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17