#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 2.77 -0.14 3.17 0.08 -0.86 -4.89 117.98 118.11 2jpi s PHE 2 Ca 0.00 -0.09 -0.06 0.00 0.12 0.00 0.00 56.93 56.90 2jpi s PHE 2 Cb 0.00 -2.70 0.06 0.00 -0.57 0.00 0.00 43.02 39.81 2jpi s PHE 2 CO 0.00 -0.85 0.32 0.50 -0.10 0.00 0.00 175.22 175.09 2jpi s ARG 3 N -4.72 0.26 0.33 0.44 6.06 -0.19 -3.58 118.95 117.54 2jpi s ARG 3 Ca 0.57 0.73 0.10 0.00 -2.50 0.00 0.00 55.73 54.63 2jpi s ARG 3 Cb -0.10 -0.01 -0.06 0.00 0.06 0.00 0.00 34.95 34.84 2jpi s ARG 3 CO 0.38 -0.21 -0.05 0.45 -2.50 0.00 0.00 175.30 173.37 2jpi s SER 4 N 1.79 3.96 -0.10 -2.12 0.15 -1.26 -4.06 113.70 112.06 2jpi s SER 4 Ca -0.06 -1.06 -0.05 0.00 0.70 0.00 0.00 55.95 55.49 2jpi s SER 4 Cb -0.10 -0.45 0.05 0.00 -1.71 0.00 0.00 66.02 63.80 2jpi s SER 4 CO -0.10 -0.18 0.22 0.42 1.20 0.00 0.00 173.24 174.80 2jpi s THR 5 N -2.54 -0.06 -0.18 6.45 -4.23 -1.26 -3.50 115.64 110.32 2jpi s THR 5 Ca 0.33 0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.98 2jpi s THR 5 Cb 0.00 -0.35 -0.01 0.00 1.34 0.00 0.00 72.50 73.48 2jpi s THR 5 CO 0.18 0.07 -0.06 -0.55 -0.54 0.00 0.00 174.62 173.71 2jpi s SER 6 N 1.30 4.33 -0.14 3.99 0.15 -0.43 -3.64 113.70 119.24 2jpi s SER 6 Ca -0.09 -0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.20 2jpi s SER 6 Cb -0.11 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.46 2jpi s SER 6 CO -0.08 0.07 -0.01 -1.38 1.20 0.00 0.00 173.24 173.04 2jpi s HIS 7 N 0.94 3.09 0.03 3.44 -3.43 -1.25 -1.53 115.29 116.58 2jpi s HIS 7 Ca -0.01 -0.13 -0.01 0.00 -0.80 0.00 0.00 55.06 54.12 2jpi s HIS 7 Cb -0.15 -1.94 -0.03 0.00 -1.43 0.00 0.00 32.58 29.04 2jpi s HIS 7 CO 0.00 0.11 -0.02 0.08 -2.00 0.00 0.00 174.74 172.91 2jpi s VAL 8 N 0.09 0.14 -0.45 -5.38 1.01 -1.04 -4.21 120.40 110.55 2jpi s VAL 8 Ca 0.01 -1.19 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 2jpi s VAL 8 Cb -0.13 -0.68 0.06 0.00 0.00 0.00 0.00 36.38 35.63 2jpi s VAL 8 CO 0.02 -0.66 0.36 -0.13 0.00 0.00 0.00 175.10 174.69 2jpi s ARG 9 N -2.27 2.93 0.14 2.72 3.00 -1.26 -2.31 118.95 121.89 2jpi s ARG 9 Ca -0.08 -1.30 0.06 0.00 0.00 0.00 0.00 55.73 54.40 2jpi s ARG 9 Cb -0.04 -4.05 -0.04 0.00 0.00 0.00 0.00 34.95 30.82 2jpi s ARG 9 CO -0.04 -0.96 -0.13 -0.08 0.00 0.00 0.00 175.30 174.09 2jpi s THR 10 N 1.62 1.31 -0.00 0.02 -1.32 -1.09 -4.98 115.64 111.20 2jpi s THR 10 Ca 0.04 -1.87 -0.00 0.00 -1.21 0.00 0.00 61.69 58.65 2jpi s THR 10 Cb -0.23 -1.67 -0.04 0.00 -1.51 0.00 0.00 72.50 69.05 2jpi s THR 10 CO 0.07 -0.54 0.07 -1.61 -2.21 0.00 0.00 174.62 170.39 2jpi s GLU 11 N -3.11 3.02 -1.86 7.08 2.02 -1.26 -2.08 118.70 122.50 2jpi s GLU 11 Ca 0.13 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.61 2jpi s GLU 11 Cb -0.02 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.38 2jpi s GLU 11 CO 0.03 0.64 0.00 0.45 0.02 0.00 0.00 175.26 176.40 2jpi n SER 12 N 1.20 -5.60 -0.03 -0.19 2.88 0.53 -4.89 113.62 107.51 2jpi n SER 12 Ca -0.13 0.17 -0.10 0.00 -1.33 0.00 0.00 58.87 57.48 2jpi n SER 12 Cb 0.53 -4.76 -0.03 0.00 -0.75 0.00 0.00 64.21 59.19 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 0.70 -0.32 -0.53 -1.46 0.00 -1.70 -2.33 119.26 113.62 2jpi h ALA 13 Ca -0.46 0.05 0.15 0.00 0.00 0.00 0.00 54.91 54.65 2jpi h ALA 13 Cb 1.34 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 2jpi h ALA 13 CO 0.58 -0.78 1.00 0.00 0.00 0.00 0.00 179.25 180.05 2jpi h ALA 14 N 0.52 2.42 0.07 0.00 0.00 -1.53 0.90 119.26 121.65 2jpi h ALA 14 Ca 0.12 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2jpi h ALA 14 Cb 0.54 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.39 2jpi h ALA 14 CO -0.41 -1.27 -0.77 -0.09 0.00 0.00 0.00 179.25 176.71 2jpi h ARG 15 N 0.00 0.40 -0.63 0.00 1.12 -1.72 -2.77 114.38 110.78 2jpi h ARG 15 Ca 0.25 -0.52 -0.09 0.00 -1.11 0.00 0.00 59.98 58.51 2jpi h ARG 15 Cb 2.25 0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 32.35 2jpi h ARG 15 CO -0.00 1.19 0.05 1.88 -3.11 0.00 0.00 179.97 179.98 2jpi h TYR 16 N -0.15 1.15 -0.74 2.20 0.05 -0.96 0.86 116.97 119.38 2jpi h TYR 16 Ca -0.12 -0.18 0.07 0.00 0.05 0.00 0.00 58.73 58.56 2jpi h TYR 16 Cb 1.52 -0.31 -0.06 0.00 1.01 0.00 0.00 36.73 38.89 2jpi h TYR 16 CO 0.16 0.99 0.42 0.28 -1.05 0.00 0.00 178.16 178.96 2jpi h VAL 17 N 0.99 0.96 -0.07 -2.88 2.07 -1.59 1.50 116.25 117.23 2jpi h VAL 17 Ca 0.18 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 2jpi h VAL 17 Cb 0.50 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2jpi h VAL 17 CO 0.02 0.14 -0.68 0.78 0.02 0.00 0.00 177.57 177.85 2jpi h ASN 18 N 0.76 0.34 1.31 0.57 2.35 -1.06 -3.25 115.58 116.61 2jpi h ASN 18 Ca 0.34 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 2jpi h ASN 18 Cb 0.23 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2jpi h ASN 18 CO -0.20 0.92 -0.72 -0.09 -1.65 0.00 0.00 177.43 175.69 2jpi h ARG 19 N 0.21 0.00 -0.14 0.81 9.65 0.23 -3.36 114.38 121.78 2jpi h ARG 19 Ca -0.02 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 2jpi h ARG 19 Cb 1.22 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.80 2jpi h ARG 19 CO 0.11 0.27 -0.03 -0.07 2.80 0.00 0.00 179.97 183.05 2jpi h LEU 20 N 0.00 0.27 -0.79 3.80 3.38 0.20 0.33 115.31 122.50 2jpi h LEU 20 Ca -0.04 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.66 2jpi h LEU 20 Cb 1.30 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 2jpi h LEU 20 CO 0.04 0.56 0.45 0.00 0.09 0.00 0.00 178.44 179.58 2jpi h LYS 22 N 0.77 0.00 0.00 0.00 1.57 -1.68 0.49 116.57 117.73 2jpi h LYS 22 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2jpi h LYS 22 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jpi h LYS 22 CO -0.23 0.03 -0.11 1.25 -0.57 0.00 0.00 179.45 179.82 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.16 -3.39 115.15 113.34 2jpi h HIS 23 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2jpi h HIS 23 Cb 0.77 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2jpi h HIS 23 CO 0.00 0.00 0.00 0.91 -1.30 0.00 0.00 177.93 177.54 2jpi n TRP 24 N -3.37 0.39 -0.79 5.26 7.02 0.21 -4.42 117.44 121.74 2jpi n TRP 24 Ca -0.02 0.12 -0.27 0.00 -1.02 0.00 0.00 57.50 56.31 2jpi n TRP 24 Cb 0.06 -0.69 -0.03 0.00 -2.42 0.00 0.00 31.31 28.23 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 1.31 2.74 0.03 6.99 0.00 0.16 -3.99 105.19 112.43 2jpi n GLY 25 Ca 0.06 -0.90 -0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 5.43 0.00 -2.08 1.61 8.25 -1.26 -4.77 115.22 122.40 2jpi n HIS 26 Ca 0.42 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.87 2jpi n HIS 26 Cb 0.21 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 30.97 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 -2.10 0.00 -4.06 -0.41 0.00 -1.26 -5.12 118.16 105.21 2jpi n LYS 27 Ca -0.09 -0.79 -0.07 0.00 0.00 0.00 0.00 58.31 57.35 2jpi n LYS 27 Cb 0.54 0.01 -0.10 0.00 0.00 0.00 0.00 35.03 35.48 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 0.45 -0.75 5.64 0.08 -1.26 -5.10 117.98 117.04 2jpi s PHE 28 Ca 0.05 -0.94 -0.27 0.00 0.12 0.00 0.00 56.93 55.90 2jpi s PHE 28 Cb 0.06 -0.34 0.02 0.00 -0.57 0.00 0.00 43.02 42.20 2jpi s PHE 28 CO -0.03 -0.34 1.37 -1.83 -0.10 0.00 0.00 175.22 174.30 2jpi s GLU 29 N -3.34 3.15 -0.19 0.44 1.03 -1.26 -4.77 118.70 113.76 2jpi s GLU 29 Ca 0.02 -0.22 -0.03 0.00 0.03 0.00 0.00 54.97 54.77 2jpi s GLU 29 Cb 0.04 -4.33 -0.01 0.00 -0.80 0.00 0.00 34.13 29.03 2jpi s GLU 29 CO -0.08 -2.24 -0.06 0.14 -1.33 0.00 0.00 175.26 171.69 2jpi s VAL 30 N 6.13 3.36 0.15 1.83 -7.23 -1.25 -3.17 120.40 120.22 2jpi s VAL 30 Ca 0.40 -0.52 0.04 0.00 -1.81 0.00 0.00 61.98 60.10 2jpi s VAL 30 Cb -0.08 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2jpi s VAL 30 CO 0.13 0.46 0.19 -0.70 -0.31 0.00 0.00 175.10 174.87 2jpi s GLU 31 N 1.06 3.10 -0.21 4.82 2.12 0.41 -4.94 118.70 125.06 2jpi s GLU 31 Ca 0.01 -0.75 -0.03 0.00 0.36 0.00 0.00 54.97 54.56 2jpi s GLU 31 Cb -0.15 -2.77 0.06 0.00 0.26 0.00 0.00 34.13 31.53 2jpi s GLU 31 CO -0.00 0.51 0.04 -1.17 -0.54 0.00 0.00 175.26 174.10 2jpi s LEU 32 N -3.09 1.21 0.22 2.70 0.20 -1.26 -2.54 118.68 116.12 2jpi s LEU 32 Ca 0.32 -0.89 0.07 0.00 0.69 0.00 0.00 54.13 54.32 2jpi s LEU 32 Cb -0.11 -0.60 -0.05 0.00 -0.43 0.00 0.00 46.19 45.01 2jpi s LEU 32 CO 0.25 -0.32 -0.10 0.42 -0.29 0.00 0.00 176.35 176.31 2jpi s THR 33 N 1.86 1.58 -0.06 3.68 -4.23 -1.17 -5.02 115.64 112.27 2jpi s THR 33 Ca 0.00 -2.16 -0.05 0.00 -1.18 0.00 0.00 61.69 58.30 2jpi s THR 33 Cb -0.17 -2.15 -0.22 0.00 1.34 0.00 0.00 72.50 71.30 2jpi s THR 33 CO -0.10 -0.51 3.10 -0.81 -0.54 0.00 0.00 174.62 175.76 2jpi n PRO 34 N -0.41 1.74 0.00 3.99 -0.04 -1.26 -2.97 135.00 136.05 2jpi n PRO 34 Ca -0.07 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 2jpi n PRO 34 Cb 0.61 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.64 0.00 -3.69 0.54 -0.58 -1.26 -5.08 120.64 113.20 2jpi n GLU 35 Ca 0.37 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.10 2jpi n GLU 35 Cb 0.75 -0.06 -0.01 0.00 -0.57 0.00 0.00 31.44 31.54 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 -0.22 3.49 1.70 -1.16 -3.06 118.95 119.54 2jpi s ARG 36 Ca 0.00 -0.46 -0.07 0.00 -0.47 0.00 0.00 55.73 54.74 2jpi s ARG 36 Cb 0.00 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.64 2jpi s ARG 36 CO 0.00 -0.38 0.05 0.20 -1.08 0.00 0.00 175.30 174.08 2jpi s GLY 37 N -2.92 1.78 -0.32 3.88 0.00 -0.15 -3.04 107.32 106.55 2jpi s GLY 37 Ca 0.13 -1.02 -0.12 0.00 0.00 0.00 0.00 44.72 43.71 2jpi s GLY 37 CO -0.01 0.35 0.23 -0.12 0.00 0.00 0.00 173.10 173.56 2jpi s PHE 38 N 1.20 3.23 -0.27 1.90 5.36 -1.05 -1.42 117.98 126.92 2jpi s PHE 38 Ca 0.04 -0.11 -0.01 0.00 -0.96 0.00 0.00 56.93 55.89 2jpi s PHE 38 Cb -0.14 -2.45 0.09 0.00 -0.34 0.00 0.00 43.02 40.17 2jpi s PHE 38 CO 0.03 -0.30 0.07 0.42 -1.46 0.00 0.00 175.22 173.97 2jpi s ILE 39 N 1.74 0.82 -0.02 3.12 1.01 -0.75 -0.45 121.20 126.68 2jpi s ILE 39 Ca 0.07 -1.16 0.05 0.00 0.00 0.00 0.00 60.65 59.61 2jpi s ILE 39 Cb -0.17 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 2jpi s ILE 39 CO 0.11 -0.51 -0.17 1.51 0.00 0.00 0.00 174.94 175.87 2jpi s ASP 40 N 1.67 3.82 0.00 3.58 -4.77 -1.19 -0.75 116.67 119.03 2jpi s ASP 40 Ca 0.06 -0.30 0.28 0.00 -3.30 0.00 0.00 52.55 49.29 2jpi s ASP 40 Cb -0.17 -0.70 1.14 0.00 -1.09 0.00 0.00 42.92 42.09 2jpi s ASP 40 CO -0.20 0.32 1.83 0.33 0.70 0.00 0.00 175.17 178.15 2jpi n PHE 41 N 2.11 0.00 0.00 2.11 -0.00 -0.84 -4.11 117.46 116.73 2jpi n PHE 41 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.28 2jpi n PHE 41 Cb 0.52 -0.35 0.00 0.00 -0.00 0.00 0.00 39.48 39.65 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 1.42 1.22 0.13 7.13 0.00 -1.26 -4.78 105.19 109.04 2jpi n GLY 42 Ca 0.09 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 2jpi n GLY 42 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jpi h ASP 43 N 0.00 0.00 -2.01 1.61 1.82 -1.95 -3.44 116.42 112.46 2jpi h ASP 43 Ca 0.00 0.00 -0.46 0.00 -0.39 0.00 0.00 57.03 56.18 2jpi h ASP 43 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 2jpi h ASP 43 CO 0.00 0.66 -0.41 -0.94 -1.61 0.00 0.00 179.24 176.95 2jpi s SER 44 N -6.82 6.03 0.23 2.28 1.04 -1.26 -4.50 113.70 110.70 2jpi s SER 44 Ca -0.01 -0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 2jpi s SER 44 Cb 0.12 -1.50 -0.01 0.00 0.10 0.00 0.00 66.02 64.73 2jpi s SER 44 CO 0.77 -0.23 0.42 0.20 0.98 0.00 0.00 173.24 175.37 2jpi s ASN 45 N -4.04 -0.05 -0.28 7.02 -0.87 0.30 -1.98 114.94 115.03 2jpi s ASN 45 Ca 0.39 -0.97 0.02 0.00 -1.57 0.00 0.00 52.86 50.72 2jpi s ASN 45 Cb -0.09 0.55 0.17 0.00 -0.02 0.00 0.00 41.25 41.85 2jpi s ASN 45 CO 0.29 -1.08 0.45 0.00 -2.57 0.00 0.00 177.10 174.20 2jpi s GLU 47 N 2.63 3.52 -0.13 0.00 2.12 0.16 -1.80 118.70 125.20 2jpi s GLU 47 Ca 0.11 -0.35 -0.03 0.00 0.36 0.00 0.00 54.97 55.06 2jpi s GLU 47 Cb -0.13 -2.85 0.05 0.00 0.26 0.00 0.00 34.13 31.46 2jpi s GLU 47 CO -0.26 0.41 0.05 -1.17 -0.54 0.00 0.00 175.26 173.76 2jpi s LEU 48 N -3.28 0.52 -0.05 2.70 2.96 -0.50 -2.35 118.68 118.67 2jpi s LEU 48 Ca 0.38 -0.39 -0.21 0.00 -0.22 0.00 0.00 54.13 53.69 2jpi s LEU 48 Cb -0.11 -0.33 -0.05 0.00 0.50 0.00 0.00 46.19 46.20 2jpi s LEU 48 CO 0.29 -0.29 0.59 -0.22 -1.32 0.00 0.00 176.35 175.40 2jpi s LEU 49 N 2.06 4.36 -0.15 -0.68 2.96 0.36 -0.97 118.68 126.60 2jpi s LEU 49 Ca 0.03 1.08 -0.04 0.00 -0.22 0.00 0.00 54.13 54.98 2jpi s LEU 49 Cb -0.15 -2.91 0.07 0.00 0.50 0.00 0.00 46.19 43.71 2jpi s LEU 49 CO -0.07 0.02 0.19 0.00 -1.32 0.00 0.00 176.35 175.18 2jpi s ALA 50 N 0.26 -0.18 0.33 5.97 0.00 -1.17 0.11 121.76 127.08 2jpi s ALA 50 Ca 0.31 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.72 2jpi s ALA 50 Cb -0.17 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 2jpi s ALA 50 CO 0.16 -0.94 0.11 -1.58 0.00 0.00 0.00 175.76 173.51 2jpi s HIS 51 N 2.30 2.69 0.63 0.00 2.46 0.28 -2.47 115.29 121.19 2jpi s HIS 51 Ca 0.05 -0.37 0.14 0.00 0.47 0.00 0.00 55.06 55.35 2jpi s HIS 51 Cb -0.14 -1.57 0.77 0.00 -0.13 0.00 0.00 32.58 31.51 2jpi s HIS 51 CO -0.09 0.39 1.43 -1.35 -2.47 0.00 0.00 174.74 172.64 2jpi h PRO 52 N 1.62 0.00 0.00 2.88 0.11 -1.91 -2.53 132.00 132.16 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 -0.25 -0.21 0.00 0.00 178.00 178.17 2jpi n ASP 53 N -2.64 0.00 -3.89 -2.05 9.92 -1.21 -0.35 116.55 116.33 2jpi n ASP 53 Ca -0.01 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.79 53.16 2jpi n ASP 53 Cb 0.68 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.08 2jpi n ASP 53 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2jpi s HIS 54 N 0.00 0.15 -0.01 1.24 -3.43 -0.89 -2.68 115.29 109.68 2jpi s HIS 54 Ca 0.00 -0.48 -0.01 0.00 -0.80 0.00 0.00 55.06 53.77 2jpi s HIS 54 Cb 0.00 -0.09 0.01 0.00 -1.43 0.00 0.00 32.58 31.07 2jpi s HIS 54 CO 0.00 -0.45 0.02 0.54 -2.00 0.00 0.00 174.74 172.85 2jpi s VAL 55 N -3.10 -0.01 0.02 -5.38 0.11 -0.98 0.10 120.40 111.17 2jpi s VAL 55 Ca -0.01 0.03 0.09 0.00 -2.93 0.00 0.00 61.98 59.16 2jpi s VAL 55 Cb 0.02 -0.05 -0.03 0.00 -1.53 0.00 0.00 36.38 34.79 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 2.17 -0.20 2.54 1.43 0.31 -2.51 118.68 122.59 2jpi s LEU 56 Ca -0.01 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2jpi s LEU 56 Cb -0.02 -1.32 0.05 0.00 0.03 0.00 0.00 46.19 44.92 2jpi s LEU 56 CO -0.01 0.28 -0.08 -0.04 0.23 0.00 0.00 176.35 176.73 2jpi s MET 57 N -1.06 1.79 -0.03 1.70 -1.94 -0.58 0.13 119.30 119.31 2jpi s MET 57 Ca 0.11 -0.78 0.06 0.00 -1.71 0.00 0.00 55.69 53.37 2jpi s MET 57 Cb -0.10 -2.34 -0.01 0.00 2.01 0.00 0.00 34.83 34.39 2jpi s MET 57 CO 0.01 -0.46 -0.20 0.42 -0.01 0.00 0.00 175.02 174.78 2jpi s ILE 58 N 1.46 1.65 0.04 2.53 1.01 -0.99 -1.32 121.20 125.59 2jpi s ILE 58 Ca -0.02 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.86 2jpi s ILE 58 Cb -0.16 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 2jpi s ILE 58 CO -0.08 0.47 -0.25 -1.48 0.00 0.00 0.00 174.94 173.60 2jpi s LEU 59 N -0.23 2.26 -0.31 2.97 -0.00 -1.23 -0.66 118.68 121.48 2jpi s LEU 59 Ca 0.01 -0.56 0.03 0.00 -0.00 0.00 0.00 54.13 53.62 2jpi s LEU 59 Cb -0.10 -1.33 0.09 0.00 -0.00 0.00 0.00 46.19 44.84 2jpi s LEU 59 CO 0.01 0.26 0.02 0.20 -0.00 0.00 0.00 176.35 176.84 2jpi s ASN 60 N -1.27 4.54 -0.11 1.48 0.01 -0.98 -4.12 114.94 114.48 2jpi s ASN 60 Ca 0.12 -1.87 -0.07 0.00 -0.71 0.00 0.00 52.86 50.33 2jpi s ASN 60 Cb -0.10 -1.48 0.04 0.00 0.41 0.00 0.00 41.25 40.12 2jpi s ASN 60 CO 0.03 -0.34 0.27 -0.44 -1.51 0.00 0.00 177.10 175.11 2jpi s SER 61 N 1.07 -0.30 0.04 -1.22 0.01 -1.24 0.11 113.70 112.17 2jpi s SER 61 Ca 0.06 0.57 0.06 0.00 1.31 0.00 0.00 55.95 57.95 2jpi s SER 61 Cb -0.19 0.49 0.29 0.00 0.21 0.00 0.00 66.02 66.82 2jpi s SER 61 CO -0.09 -0.15 1.20 -0.81 0.41 0.00 0.00 173.24 173.80 2jpi n PRO 62 N 3.89 0.02 -3.94 12.44 -0.04 -1.26 -2.02 135.00 144.08 2jpi n PRO 62 Ca -0.22 0.45 -0.10 0.00 -0.04 0.00 0.00 63.50 63.59 2jpi n PRO 62 Cb 0.55 -1.55 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 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 -3.14 0.16 0.22 3.54 2.15 -1.26 -3.96 116.67 114.39 2jpi s ASP 63 Ca 0.02 -0.36 -0.09 0.00 0.43 0.00 0.00 52.55 52.54 2jpi s ASP 63 Cb 0.03 0.12 0.19 0.00 -0.30 0.00 0.00 42.92 42.97 2jpi s ASP 63 CO 0.10 -0.28 1.89 -0.33 -0.17 0.00 0.00 175.17 176.38 2jpi h GLU 64 N 4.74 1.09 -0.34 4.34 3.07 -1.97 0.90 114.58 126.41 2jpi h GLU 64 Ca -0.31 -0.07 0.07 0.00 -0.50 0.00 0.00 59.36 58.56 2jpi h GLU 64 Cb 1.21 -0.24 -0.08 0.00 -0.84 0.00 0.00 28.75 28.79 2jpi h GLU 64 CO 0.42 0.72 -0.31 0.22 -1.40 0.00 0.00 179.01 178.65 2jpi h ASP 65 N 1.12 -1.03 0.63 1.42 1.82 -1.97 1.22 116.42 119.63 2jpi h ASP 65 Ca 0.31 0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 57.09 2jpi h ASP 65 Cb -0.12 0.48 0.01 0.00 0.68 0.00 0.00 39.33 40.37 2jpi h ASP 65 CO -0.07 -0.32 -0.30 0.28 -1.61 0.00 0.00 179.24 177.22 2jpi h SER 66 N -0.27 -0.71 -0.97 2.28 0.02 -1.84 0.23 113.55 112.28 2jpi h SER 66 Ca 0.16 -0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.19 2jpi h SER 66 Cb 0.53 0.18 -0.12 0.00 0.14 0.00 0.00 62.40 63.14 2jpi h SER 66 CO -0.49 -0.46 -0.57 -0.11 -1.14 0.00 0.00 176.83 174.06 2jpi n LEU 67 N -5.43 -1.03 0.04 5.07 0.00 0.31 0.44 117.00 116.41 2jpi n LEU 67 Ca -0.13 1.75 -0.01 0.00 0.00 0.00 0.00 56.01 57.62 2jpi n LEU 67 Cb 0.35 -0.24 0.27 0.00 0.00 0.00 0.00 43.42 43.81 2jpi n LEU 67 CO 0.36 -1.42 0.81 0.00 0.00 0.00 0.00 177.39 177.15 2jpi h ALA 68 N 0.46 1.26 -0.86 1.96 0.00 0.15 -2.04 119.26 120.18 2jpi h ALA 68 Ca 0.15 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.89 2jpi h ALA 68 Cb 0.40 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2jpi h ALA 68 CO -0.91 0.49 0.56 1.25 0.00 0.00 0.00 179.25 180.64 2jpi h HIS 69 N 0.38 0.87 0.03 0.00 -0.00 0.22 0.10 115.15 116.76 2jpi h HIS 69 Ca 0.07 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2jpi h HIS 69 Cb 0.53 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 2jpi h HIS 69 CO 0.01 0.38 -0.02 0.52 -0.00 0.00 0.00 177.93 178.83 2jpi h MET 70 N 0.79 -0.04 -0.57 5.26 2.86 -0.44 -2.61 114.93 120.18 2jpi h MET 70 Ca 0.41 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 58.22 2jpi h MET 70 Cb 0.51 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2jpi h MET 70 CO -0.18 0.19 0.48 -0.56 1.06 0.00 0.00 176.91 177.90 2jpi h GLN 71 N -1.00 0.00 0.17 1.72 3.07 -1.24 -0.87 115.11 116.96 2jpi h GLN 71 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.50 2jpi h GLN 71 Cb 0.25 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.84 2jpi h GLN 71 CO 0.01 0.00 -1.05 -2.95 0.09 0.00 0.00 178.83 174.93 2jpi h ASN 72 N 0.00 0.56 -0.74 0.06 -1.07 -0.89 -3.10 115.58 110.40 2jpi h ASN 72 Ca 0.27 -0.94 0.17 0.00 0.07 0.00 0.00 56.30 55.87 2jpi h ASN 72 Cb 1.23 -0.18 -0.12 0.00 -2.07 0.00 0.00 38.32 37.18 2jpi h ASN 72 CO -0.00 1.50 0.06 0.58 0.07 0.00 0.00 177.43 179.63 2jpi h VAL 73 N -0.23 0.40 -0.12 6.14 2.07 -0.75 -1.36 116.25 122.40 2jpi h VAL 73 Ca -0.19 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 2jpi h VAL 73 Cb 1.79 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2jpi h VAL 73 CO 0.18 0.03 -0.19 0.58 0.02 0.00 0.00 177.57 178.18 2jpi h VAL 74 N 0.14 1.38 -0.81 2.57 2.07 -1.64 -2.92 116.25 117.04 2jpi h VAL 74 Ca 0.41 -1.44 0.23 0.00 0.82 0.00 0.00 66.70 66.72 2jpi h VAL 74 Cb 0.72 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 2jpi h VAL 74 CO -0.61 0.42 0.77 0.00 0.02 0.00 0.00 177.57 178.16 2jpi h ALA 75 N 0.54 2.64 0.13 1.67 0.00 -1.20 0.69 119.26 123.73 2jpi h ALA 75 Ca 0.01 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 2jpi h ALA 75 Cb 0.77 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.64 2jpi h ALA 75 CO 0.04 -1.18 -1.16 0.22 0.00 0.00 0.00 179.25 177.17 2jpi h ASP 76 N 0.00 0.80 -0.87 0.00 3.58 -1.17 -3.28 116.42 115.48 2jpi h ASP 76 Ca 0.38 -0.85 0.01 0.00 0.42 0.00 0.00 57.03 57.00 2jpi h ASP 76 Cb 1.91 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 42.67 2jpi h ASP 76 CO -0.00 1.56 0.57 0.45 -2.88 0.00 0.00 179.24 178.94 2jpi h HIS 77 N 0.14 1.09 0.00 0.28 3.86 0.50 -1.24 115.15 119.78 2jpi h HIS 77 Ca -0.18 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 2jpi h HIS 77 Cb 1.86 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 29.96 2jpi h HIS 77 CO 0.13 0.68 -0.00 -0.07 0.86 0.00 0.00 177.93 179.53 2jpi h LEU 78 N 1.17 0.00 0.48 2.43 3.38 -1.50 -3.13 115.31 118.14 2jpi h LEU 78 Ca 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 2jpi h LEU 78 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2jpi h LEU 78 CO -0.07 0.00 -0.23 1.56 0.09 0.00 0.00 178.44 179.79 2jpi h GLN 79 N 0.00 -0.62 -0.47 1.13 1.08 -1.28 -2.55 115.11 112.40 2jpi h GLN 79 Ca -0.00 0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.37 2jpi h GLN 79 Cb 0.23 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2jpi h GLN 79 CO 0.00 -0.41 0.34 0.07 -0.95 0.00 0.00 178.83 177.87 2jpi h ARG 80 N -1.05 0.06 0.00 1.46 0.11 -1.55 1.12 114.38 114.53 2jpi h ARG 80 Ca -0.07 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2jpi h ARG 80 Cb 0.49 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.56 2jpi h ARG 80 CO 0.11 0.04 -0.12 0.00 0.10 0.00 0.00 179.97 180.10 2jpi n MET 81 N -4.41 0.20 -0.04 0.08 0.00 -1.19 -4.32 117.12 107.44 2jpi n MET 81 Ca 0.08 0.14 -0.09 0.00 0.00 0.00 0.00 57.70 57.83 2jpi n MET 81 Cb 0.51 -1.71 -0.03 0.00 0.00 0.00 0.00 33.22 31.99 2jpi n MET 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jpi n ALA 82 N -1.72 2.28 -0.48 3.17 0.00 0.34 -5.09 120.51 119.01 2jpi n ALA 82 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2jpi n ALA 82 Cb 0.41 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.17 2jpi n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jpi n ASN 83 N -3.57 -2.25 0.00 0.00 2.85 0.36 -4.84 115.26 107.81 2jpi n ASN 83 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2jpi n ASN 83 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 2jpi n ASN 83 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2jpi n SER 84 N -1.15 0.00 -4.92 1.20 2.88 -1.26 -4.67 113.62 105.69 2jpi n SER 84 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 2jpi n SER 84 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 3.34 -1.28 -1.46 -1.05 -1.26 -5.00 118.70 111.99 2jpi s GLU 85 Ca 0.00 -0.67 -0.16 0.00 -0.15 0.00 0.00 54.97 53.98 2jpi s GLU 85 Cb 0.00 -2.90 -0.01 0.00 -0.44 0.00 0.00 34.13 30.79 2jpi s GLU 85 CO 0.00 0.50 2.11 -1.13 0.95 0.00 0.00 175.26 177.69 2jpi n SER 86 N -0.64 3.63 -0.70 0.83 3.41 -1.26 -4.79 113.62 114.10 2jpi n SER 86 Ca -0.07 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 2jpi n SER 86 Cb 0.55 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 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 6.88 -0.24 -4.55 1.04 7.99 -1.26 -4.67 117.00 122.19 2jpi n LEU 87 Ca 0.51 0.32 -0.39 0.00 -0.01 0.00 0.00 56.01 56.44 2jpi n LEU 87 Cb 0.40 -0.49 -0.03 0.00 -0.11 0.00 0.00 43.42 43.19 2jpi n LEU 87 CO 0.91 -0.55 1.40 -0.70 -1.51 0.00 0.00 177.39 176.94 2jpi s GLU 88 N 0.00 2.93 -0.09 3.23 2.12 -1.26 -4.94 118.70 120.68 2jpi s GLU 88 Ca 0.00 0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.40 2jpi s GLU 88 Cb 0.00 -4.43 0.01 0.00 0.26 0.00 0.00 34.13 29.97 2jpi s GLU 88 CO 0.00 -2.51 -0.14 0.96 -0.54 0.00 0.00 175.26 173.03 2jpi s ILE 89 N 7.48 1.35 -0.41 -3.70 -0.00 -1.26 -4.77 121.20 119.88 2jpi s ILE 89 Ca 0.53 -0.57 -0.16 0.00 -0.00 0.00 0.00 60.65 60.45 2jpi s ILE 89 Cb -0.09 -1.24 0.02 0.00 -0.00 0.00 0.00 42.46 41.15 2jpi s ILE 89 CO 0.14 0.41 0.35 0.00 -0.00 0.00 0.00 174.94 175.84 2jpi s ALA 90 N 0.89 3.46 -0.13 2.27 0.00 -1.26 -5.02 121.76 121.98 2jpi s ALA 90 Ca -0.09 -1.61 -0.15 0.00 0.00 0.00 0.00 51.96 50.11 2jpi s ALA 90 Cb -0.15 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 2jpi s ALA 90 CO 0.00 -1.46 0.34 1.67 0.00 0.00 0.00 175.76 176.32 2jpi s TRP 91 N 1.85 3.52 0.30 0.00 1.48 -1.26 -3.90 118.94 120.93 2jpi s TRP 91 Ca 0.08 0.71 -0.09 0.00 -1.06 0.00 0.00 56.10 55.74 2jpi s TRP 91 Cb -0.18 -2.36 -0.07 0.00 -1.16 0.00 0.00 33.47 29.70 2jpi s TRP 91 CO 0.11 0.30 0.63 -0.65 -4.06 0.00 0.00 176.95 173.29 2jpi s GLN 92 N 0.21 3.78 0.37 3.25 -0.21 -1.24 -4.97 119.66 120.86 2jpi s GLN 92 Ca 0.19 0.31 0.18 0.00 0.02 0.00 0.00 55.36 56.06 2jpi s GLN 92 Cb -0.14 -2.55 1.12 0.00 1.00 0.00 0.00 33.01 32.44 2jpi s GLN 92 CO 0.07 0.18 1.70 -1.35 -2.12 0.00 0.00 175.29 173.77 2jpi h PRO 93 N 1.97 0.34 0.00 2.91 0.11 -1.95 -3.41 132.00 131.97 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 0.66 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.68 2jpi n ALA 94 N -2.40 0.00 -3.65 -0.75 0.00 -1.26 -4.82 120.51 107.64 2jpi n ALA 94 Ca 0.30 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.76 2jpi n ALA 94 Cb 0.99 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.38 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 -0.45 0.05 0.00 0.00 -6.30 -1.26 -1.03 118.70 109.71 2jpi s GLU 95 Ca 0.00 0.08 0.00 0.00 -2.50 0.00 0.00 54.97 52.55 2jpi s GLU 95 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 34.13 34.14 2jpi s GLU 95 CO 0.00 -0.01 0.40 0.43 0.02 0.00 0.00 175.26 176.10