#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 2.74 -0.15 3.17 0.08 -0.78 -4.90 117.98 118.15 2jpi s PHE 2 Ca 0.00 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 56.81 2jpi s PHE 2 Cb 0.00 -2.62 0.06 0.00 -0.57 0.00 0.00 43.02 39.89 2jpi s PHE 2 CO 0.00 -0.77 0.33 0.50 -0.10 0.00 0.00 175.22 175.18 2jpi s ARG 3 N -4.64 0.26 0.31 0.44 6.06 -0.50 -3.61 118.95 117.26 2jpi s ARG 3 Ca 0.57 0.77 0.10 0.00 -2.50 0.00 0.00 55.73 54.67 2jpi s ARG 3 Cb -0.10 0.03 -0.05 0.00 0.06 0.00 0.00 34.95 34.89 2jpi s ARG 3 CO 0.37 -0.22 -0.02 0.45 -2.50 0.00 0.00 175.30 173.38 2jpi s SER 4 N 1.94 4.24 -0.11 -2.12 0.15 -1.26 -4.04 113.70 112.50 2jpi s SER 4 Ca -0.05 -0.88 -0.05 0.00 0.70 0.00 0.00 55.95 55.68 2jpi s SER 4 Cb -0.11 -0.60 0.05 0.00 -1.71 0.00 0.00 66.02 63.65 2jpi s SER 4 CO -0.10 -0.13 0.23 0.42 1.20 0.00 0.00 173.24 174.86 2jpi s THR 5 N -2.45 -0.22 -0.12 6.45 -4.23 -1.26 -3.53 115.64 110.28 2jpi s THR 5 Ca 0.33 0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 2jpi s THR 5 Cb -0.03 -0.38 -0.03 0.00 1.34 0.00 0.00 72.50 73.39 2jpi s THR 5 CO 0.19 0.10 -0.01 -0.55 -0.54 0.00 0.00 174.62 173.81 2jpi s SER 6 N 1.87 5.08 -0.09 3.99 0.15 -0.35 -3.72 113.70 120.63 2jpi s SER 6 Ca -0.03 0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.67 2jpi s SER 6 Cb -0.11 -1.61 -0.01 0.00 -1.71 0.00 0.00 66.02 62.57 2jpi s SER 6 CO -0.08 0.28 -0.19 -2.28 1.20 0.00 0.00 173.24 172.17 2jpi s HIS 7 N -0.30 2.64 0.03 3.44 2.46 -1.24 -1.15 115.29 121.17 2jpi s HIS 7 Ca 0.06 -0.64 -0.00 0.00 0.47 0.00 0.00 55.06 54.95 2jpi s HIS 7 Cb -0.12 -1.71 -0.03 0.00 -0.13 0.00 0.00 32.58 30.59 2jpi s HIS 7 CO 0.02 -0.17 -0.03 0.08 -2.47 0.00 0.00 174.74 172.17 2jpi s VAL 8 N -0.01 0.15 -0.46 0.89 1.01 -0.96 -3.90 120.40 117.12 2jpi s VAL 8 Ca -0.06 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.56 2jpi s VAL 8 Cb -0.15 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.60 2jpi s VAL 8 CO 0.05 -0.67 0.36 -0.13 0.00 0.00 0.00 175.10 174.70 2jpi s ARG 9 N -2.32 2.88 0.13 2.72 3.00 -1.26 -2.20 118.95 121.89 2jpi s ARG 9 Ca -0.08 -1.37 0.05 0.00 0.00 0.00 0.00 55.73 54.33 2jpi s ARG 9 Cb -0.04 -4.03 -0.04 0.00 0.00 0.00 0.00 34.95 30.84 2jpi s ARG 9 CO -0.04 -1.00 -0.12 -0.08 0.00 0.00 0.00 175.30 174.06 2jpi s THR 10 N 1.58 1.21 0.02 0.02 -1.32 -1.01 -4.98 115.64 111.16 2jpi s THR 10 Ca 0.04 -1.86 0.01 0.00 -1.21 0.00 0.00 61.69 58.67 2jpi s THR 10 Cb -0.24 -1.64 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 2jpi s THR 10 CO 0.05 -0.58 0.07 -1.61 -2.21 0.00 0.00 174.62 170.34 2jpi s GLU 11 N -3.16 2.98 -1.89 7.08 2.02 -1.26 -2.22 118.70 122.27 2jpi s GLU 11 Ca 0.12 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.55 2jpi s GLU 11 Cb -0.01 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2jpi s GLU 11 CO 0.02 0.62 0.00 0.45 0.02 0.00 0.00 175.26 176.37 2jpi n SER 12 N 1.02 -5.82 -0.01 -0.19 2.88 0.27 -4.89 113.62 106.87 2jpi n SER 12 Ca -0.12 0.11 -0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2jpi n SER 12 Cb 0.52 -4.90 -0.03 0.00 -0.75 0.00 0.00 64.21 59.05 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 0.75 -0.17 -0.86 -1.46 0.00 -1.70 -2.82 119.26 113.01 2jpi h ALA 13 Ca -0.48 0.05 0.25 0.00 0.00 0.00 0.00 54.91 54.73 2jpi h ALA 13 Cb 1.36 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 2jpi h ALA 13 CO 0.59 -0.67 1.09 0.00 0.00 0.00 0.00 179.25 180.27 2jpi h ALA 14 N 0.72 2.77 0.21 0.00 0.00 -1.68 0.28 119.26 121.57 2jpi h ALA 14 Ca 0.11 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.66 2jpi h ALA 14 Cb 0.43 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.31 2jpi h ALA 14 CO -0.31 -1.54 -1.52 -0.09 0.00 0.00 0.00 179.25 175.80 2jpi h ARG 15 N 0.00 0.44 0.00 0.00 1.12 -1.81 -2.94 114.38 111.20 2jpi h ARG 15 Ca 0.41 -0.76 -0.02 0.00 -1.11 0.00 0.00 59.98 58.50 2jpi h ARG 15 Cb 2.59 0.28 -0.00 0.00 -0.01 0.00 0.00 29.97 32.83 2jpi h ARG 15 CO -0.00 1.35 -0.09 1.88 -3.11 0.00 0.00 179.97 180.00 2jpi h TYR 16 N 0.12 0.00 0.12 2.20 0.05 -0.56 0.50 116.97 119.40 2jpi h TYR 16 Ca -0.26 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.28 2jpi h TYR 16 Cb 2.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.86 2jpi h TYR 16 CO 0.11 0.09 -1.18 0.28 -1.05 0.00 0.00 178.16 176.40 2jpi h VAL 17 N 0.00 1.20 -0.00 -2.88 2.07 -1.60 -3.30 116.25 111.73 2jpi h VAL 17 Ca -0.00 -2.43 -0.11 0.00 0.82 0.00 0.00 66.70 64.98 2jpi h VAL 17 Cb 0.31 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 2jpi h VAL 17 CO 0.01 0.69 -0.51 0.78 0.02 0.00 0.00 177.57 178.56 2jpi h ASN 18 N -0.37 0.00 1.58 0.57 4.21 -1.29 -3.04 115.58 117.24 2jpi h ASN 18 Ca -0.25 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.26 2jpi h ASN 18 Cb 1.68 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.88 2jpi h ASN 18 CO 0.07 0.51 0.00 -0.09 -1.29 0.00 0.00 177.43 176.64 2jpi h ARG 19 N 0.00 0.00 -0.09 0.81 9.65 -1.05 -3.31 114.38 120.39 2jpi h ARG 19 Ca -0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 2jpi h ARG 19 Cb 0.90 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 2jpi h ARG 19 CO 0.07 0.00 -0.17 -0.07 2.80 0.00 0.00 179.97 182.60 2jpi h LEU 20 N 0.00 0.31 -0.96 3.80 3.38 -1.61 -1.97 115.31 118.26 2jpi h LEU 20 Ca 0.00 -0.55 0.17 0.00 0.09 0.00 0.00 57.88 57.58 2jpi h LEU 20 Cb 0.79 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 2jpi h LEU 20 CO 0.00 0.80 0.57 0.00 0.09 0.00 0.00 178.44 179.90 2jpi h LYS 22 N 0.76 0.00 0.00 0.00 1.57 -1.69 -0.68 116.57 116.52 2jpi h LYS 22 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 2jpi h LYS 22 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2jpi h LYS 22 CO -0.36 0.02 -0.16 1.25 -0.57 0.00 0.00 179.45 179.63 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.11 -3.39 115.15 113.27 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 0.89 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2jpi h HIS 23 CO 0.00 0.00 -0.25 0.91 -1.30 0.00 0.00 177.93 177.29 2jpi n TRP 24 N -3.93 0.13 -0.82 5.26 7.02 0.16 -4.53 117.44 120.74 2jpi n TRP 24 Ca -0.02 0.04 -0.30 0.00 -1.02 0.00 0.00 57.50 56.20 2jpi n TRP 24 Cb 0.08 -0.46 -0.04 0.00 -2.42 0.00 0.00 31.31 28.48 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 1.47 2.61 0.04 6.99 0.00 -0.26 -3.99 105.19 112.05 2jpi n GLY 25 Ca 0.06 -0.95 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 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 5.88 0.00 -2.03 1.61 8.25 -1.26 -4.78 115.22 122.88 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 0.25 -0.42 -0.00 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.32 0.00 -4.04 -0.41 0.00 -1.26 -5.11 118.16 105.03 2jpi n LYS 27 Ca -0.14 -0.66 -0.08 0.00 0.00 0.00 0.00 58.31 57.43 2jpi n LYS 27 Cb 0.77 -0.20 -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 0.40 -0.44 5.64 0.08 -1.26 -5.11 117.98 117.29 2jpi s PHE 28 Ca 0.02 -0.81 -0.29 0.00 0.12 0.00 0.00 56.93 55.97 2jpi s PHE 28 Cb 0.03 -0.29 0.01 0.00 -0.57 0.00 0.00 43.02 42.19 2jpi s PHE 28 CO -0.01 -0.29 1.39 -1.83 -0.10 0.00 0.00 175.22 174.38 2jpi s GLU 29 N -2.77 3.54 -0.21 0.44 1.03 -1.26 -4.71 118.70 114.76 2jpi s GLU 29 Ca -0.04 0.84 0.02 0.00 0.03 0.00 0.00 54.97 55.81 2jpi s GLU 29 Cb -0.00 -4.03 0.04 0.00 -0.80 0.00 0.00 34.13 29.33 2jpi s GLU 29 CO -0.06 -1.61 -0.15 0.14 -1.33 0.00 0.00 175.26 172.25 2jpi s VAL 30 N 5.48 2.02 0.32 1.83 -7.23 -1.25 -3.17 120.40 118.40 2jpi s VAL 30 Ca 0.59 -1.22 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2jpi s VAL 30 Cb -0.13 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2jpi s VAL 30 CO 0.32 0.26 0.56 -0.70 -0.31 0.00 0.00 175.10 175.22 2jpi s GLU 31 N 1.24 3.56 -0.18 4.82 2.12 0.46 -4.92 118.70 125.80 2jpi s GLU 31 Ca -0.01 -0.14 -0.05 0.00 0.36 0.00 0.00 54.97 55.13 2jpi s GLU 31 Cb -0.16 -2.64 0.06 0.00 0.26 0.00 0.00 34.13 31.65 2jpi s GLU 31 CO -0.09 0.16 0.11 -1.17 -0.54 0.00 0.00 175.26 173.73 2jpi s LEU 32 N -3.95 0.29 0.13 2.70 0.20 -1.26 -2.80 118.68 113.99 2jpi s LEU 32 Ca 0.42 -0.57 0.07 0.00 0.69 0.00 0.00 54.13 54.74 2jpi s LEU 32 Cb -0.10 -0.16 -0.04 0.00 -0.43 0.00 0.00 46.19 45.46 2jpi s LEU 32 CO 0.34 -0.35 -0.15 0.42 -0.29 0.00 0.00 176.35 176.32 2jpi s THR 33 N 2.16 1.46 -0.41 3.68 -4.23 -1.05 -5.02 115.64 112.22 2jpi s THR 33 Ca 0.03 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 2jpi s THR 33 Cb -0.16 -1.60 -0.13 0.00 1.34 0.00 0.00 72.50 71.95 2jpi s THR 33 CO -0.10 -0.37 2.44 -0.81 -0.54 0.00 0.00 174.62 175.23 2jpi n PRO 34 N 0.51 1.73 0.00 3.99 -0.04 -1.26 -2.41 135.00 137.53 2jpi n PRO 34 Ca -0.15 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 2jpi n PRO 34 Cb 0.57 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 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 3.22 0.00 -3.70 0.54 1.02 -1.26 -5.03 120.64 115.43 2jpi n GLU 35 Ca 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.49 2jpi n GLU 35 Cb 0.42 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.83 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 -0.93 0.88 0.09 3.49 1.70 -1.01 -0.64 118.95 122.53 2jpi s ARG 36 Ca 0.00 -0.48 0.07 0.00 -0.47 0.00 0.00 55.73 54.85 2jpi s ARG 36 Cb 0.00 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 2jpi s ARG 36 CO 0.00 -0.40 -0.12 0.20 -1.08 0.00 0.00 175.30 173.90 2jpi s GLY 37 N -2.93 1.75 -0.15 3.88 0.00 -0.63 -2.54 107.32 106.69 2jpi s GLY 37 Ca 0.13 -1.24 -0.00 0.00 0.00 0.00 0.00 44.72 43.61 2jpi s GLY 37 CO -0.00 -1.20 -0.09 -0.12 0.00 0.00 0.00 173.10 171.69 2jpi s PHE 38 N -1.16 1.85 -0.28 1.90 5.36 -1.12 -2.19 117.98 122.35 2jpi s PHE 38 Ca 0.20 -1.10 -0.01 0.00 -0.96 0.00 0.00 56.93 55.06 2jpi s PHE 38 Cb -0.11 -1.40 0.09 0.00 -0.34 0.00 0.00 43.02 41.26 2jpi s PHE 38 CO 0.12 -0.62 0.07 0.42 -1.46 0.00 0.00 175.22 173.75 2jpi s ILE 39 N 1.59 0.81 -0.15 3.12 1.01 -1.11 -0.40 121.20 126.06 2jpi s ILE 39 Ca 0.02 -1.16 -0.05 0.00 0.00 0.00 0.00 60.65 59.46 2jpi s ILE 39 Cb -0.14 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 2jpi s ILE 39 CO -0.09 -0.52 -0.00 1.51 0.00 0.00 0.00 174.94 175.84 2jpi s ASP 40 N 1.67 5.13 -0.05 3.58 -4.77 -1.19 -1.53 116.67 119.50 2jpi s ASP 40 Ca 0.06 -0.02 0.17 0.00 -3.30 0.00 0.00 52.55 49.46 2jpi s ASP 40 Cb -0.17 -1.80 0.57 0.00 -1.09 0.00 0.00 42.92 40.43 2jpi s ASP 40 CO -0.20 0.20 1.47 0.49 0.70 0.00 0.00 175.17 177.83 2jpi n PHE 41 N 3.33 1.06 0.00 2.11 3.01 -0.75 -4.27 117.46 121.95 2jpi n PHE 41 Ca -0.17 -0.46 0.00 0.00 1.01 0.00 0.00 57.45 57.83 2jpi n PHE 41 Cb 0.53 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 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 1.22 1.10 2.34 1.37 0.00 -1.26 -4.69 105.19 105.27 2jpi n GLY 42 Ca 0.21 -0.76 -0.26 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 0.85 6.55 0.00 1.61 -0.08 -1.26 -4.78 116.55 119.44 2jpi n ASP 43 Ca 0.00 -2.95 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 2jpi n ASP 43 Cb 0.00 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.13 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 1.66 0.00 -3.90 1.67 3.41 -1.26 -4.36 113.62 110.84 2jpi n SER 44 Ca 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.04 2jpi n SER 44 Cb 0.58 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.15 -0.28 4.04 -0.87 0.45 -1.80 114.94 116.33 2jpi s ASN 45 Ca 0.00 -0.75 0.00 0.00 -1.57 0.00 0.00 52.86 50.55 2jpi s ASN 45 Cb 0.00 0.59 0.15 0.00 -0.02 0.00 0.00 41.25 41.97 2jpi s ASN 45 CO 0.00 -1.12 0.37 0.00 -2.57 0.00 0.00 177.10 173.79 2jpi s GLU 47 N 2.50 2.95 -0.04 0.00 2.12 0.12 -2.76 118.70 123.59 2jpi s GLU 47 Ca 0.10 -0.71 -0.02 0.00 0.36 0.00 0.00 54.97 54.70 2jpi s GLU 47 Cb -0.13 -2.74 0.03 0.00 0.26 0.00 0.00 34.13 31.55 2jpi s GLU 47 CO -0.27 0.55 0.07 -0.48 -0.54 0.00 0.00 175.26 174.59 2jpi s LEU 48 N -2.62 0.45 -0.11 2.70 2.34 -0.93 -1.76 118.68 118.76 2jpi s LEU 48 Ca 0.30 0.12 -0.20 0.00 0.06 0.00 0.00 54.13 54.41 2jpi s LEU 48 Cb -0.12 -0.03 -0.04 0.00 -0.56 0.00 0.00 46.19 45.45 2jpi s LEU 48 CO 0.23 -0.20 0.56 -0.22 -1.06 0.00 0.00 176.35 175.65 2jpi s LEU 49 N 1.76 4.28 -0.22 1.48 2.96 0.30 -1.61 118.68 127.64 2jpi s LEU 49 Ca -0.01 0.93 -0.03 0.00 -0.22 0.00 0.00 54.13 54.81 2jpi s LEU 49 Cb -0.12 -2.83 0.07 0.00 0.50 0.00 0.00 46.19 43.81 2jpi s LEU 49 CO -0.04 -0.06 0.05 0.00 -1.32 0.00 0.00 176.35 174.99 2jpi s ALA 50 N 0.78 1.05 -0.06 5.97 0.00 0.18 0.11 121.76 129.79 2jpi s ALA 50 Ca 0.30 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.40 2jpi s ALA 50 Cb -0.16 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 2jpi s ALA 50 CO 0.13 -1.29 -0.08 -1.58 0.00 0.00 0.00 175.76 172.95 2jpi s HIS 51 N 1.84 2.91 0.47 0.00 5.04 0.41 -2.76 115.29 123.20 2jpi s HIS 51 Ca 0.01 0.00 0.00 0.00 -1.54 0.00 0.00 55.06 53.54 2jpi s HIS 51 Cb -0.17 -1.70 0.00 0.00 0.04 0.00 0.00 32.58 30.75 2jpi s HIS 51 CO -0.13 0.32 0.73 -2.30 -2.34 0.00 0.00 174.74 171.02 2jpi n PRO 52 N 2.20 0.02 0.00 2.88 -0.02 -1.26 0.44 135.00 139.26 2jpi n PRO 52 Ca -0.18 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2jpi n PRO 52 Cb 0.53 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2jpi n PRO 52 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2jpi n ASP 53 N -1.94 0.10 -3.95 2.55 -0.08 -1.18 0.93 116.55 112.99 2jpi n ASP 53 Ca 0.00 -0.46 -0.09 0.00 -1.51 0.00 0.00 54.79 52.74 2jpi n ASP 53 Cb 0.73 0.17 -0.09 0.00 2.34 0.00 0.00 41.12 44.27 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 -0.17 0.27 -0.03 -0.67 -3.43 0.17 -2.42 115.29 109.01 2jpi s HIS 54 Ca 0.00 -0.67 -0.02 0.00 -0.80 0.00 0.00 55.06 53.57 2jpi s HIS 54 Cb 0.00 -0.18 0.01 0.00 -1.43 0.00 0.00 32.58 30.98 2jpi s HIS 54 CO 0.00 -0.41 0.07 0.54 -2.00 0.00 0.00 174.74 172.94 2jpi s VAL 55 N -3.26 -0.02 0.08 -5.38 0.11 -0.93 0.16 120.40 111.15 2jpi s VAL 55 Ca 0.01 0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.20 2jpi s VAL 55 Cb 0.03 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.72 2jpi s VAL 55 CO -0.08 0.02 -0.21 -0.76 -3.33 0.00 0.00 175.10 170.74 2jpi s LEU 56 N 0.35 2.49 -0.18 2.54 1.43 0.29 -2.27 118.68 123.33 2jpi s LEU 56 Ca -0.03 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2jpi s LEU 56 Cb -0.04 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.80 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 -1.67 1.37 -0.03 1.70 -1.94 -0.30 0.11 119.30 118.54 2jpi s MET 57 Ca 0.15 -0.57 0.05 0.00 -1.71 0.00 0.00 55.69 53.61 2jpi s MET 57 Cb -0.10 -2.10 -0.01 0.00 2.01 0.00 0.00 34.83 34.63 2jpi s MET 57 CO 0.06 -0.48 -0.19 0.42 -0.01 0.00 0.00 175.02 174.82 2jpi s ILE 58 N 1.62 1.56 0.05 2.53 1.01 -0.72 -1.22 121.20 126.03 2jpi s ILE 58 Ca -0.00 -0.81 0.09 0.00 0.00 0.00 0.00 60.65 59.93 2jpi s ILE 58 Cb -0.16 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2jpi s ILE 58 CO -0.07 0.44 -0.26 -1.48 0.00 0.00 0.00 174.94 173.57 2jpi s LEU 59 N -0.17 2.18 -0.31 2.97 -0.00 -1.23 -0.71 118.68 121.41 2jpi s LEU 59 Ca 0.00 -0.60 0.03 0.00 -0.00 0.00 0.00 54.13 53.56 2jpi s LEU 59 Cb -0.10 -1.27 0.09 0.00 -0.00 0.00 0.00 46.19 44.91 2jpi s LEU 59 CO 0.01 0.25 0.01 0.20 -0.00 0.00 0.00 176.35 176.82 2jpi s ASN 60 N -1.31 4.60 -0.11 1.48 0.01 -0.99 -4.16 114.94 114.46 2jpi s ASN 60 Ca 0.12 -1.90 -0.07 0.00 -0.71 0.00 0.00 52.86 50.29 2jpi s ASN 60 Cb -0.10 -1.54 0.04 0.00 0.41 0.00 0.00 41.25 40.06 2jpi s ASN 60 CO 0.02 -0.33 0.27 -0.44 -1.51 0.00 0.00 177.10 175.11 2jpi s SER 61 N 1.02 -0.29 0.01 -1.22 0.01 -1.24 0.17 113.70 112.16 2jpi s SER 61 Ca 0.06 0.56 0.09 0.00 1.31 0.00 0.00 55.95 57.96 2jpi s SER 61 Cb -0.19 0.50 0.37 0.00 0.21 0.00 0.00 66.02 66.92 2jpi s SER 61 CO -0.08 -0.13 1.28 -0.81 0.41 0.00 0.00 173.24 173.90 2jpi n PRO 62 N 3.63 0.00 -3.93 12.44 -0.04 -1.26 -1.86 135.00 143.99 2jpi n PRO 62 Ca -0.19 0.36 -0.10 0.00 -0.04 0.00 0.00 63.50 63.52 2jpi n PRO 62 Cb 0.56 -1.51 -0.11 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 -3.02 0.14 0.23 3.54 2.15 -1.26 -4.01 116.67 114.44 2jpi s ASP 63 Ca 0.04 -0.34 -0.08 0.00 0.43 0.00 0.00 52.55 52.60 2jpi s ASP 63 Cb 0.06 0.13 0.23 0.00 -0.30 0.00 0.00 42.92 43.03 2jpi s ASP 63 CO 0.16 -0.29 1.90 -0.33 -0.17 0.00 0.00 175.17 176.44 2jpi h GLU 64 N 4.71 1.14 -0.33 4.34 3.07 -1.97 0.84 114.58 126.39 2jpi h GLU 64 Ca -0.31 -0.07 0.07 0.00 -0.50 0.00 0.00 59.36 58.55 2jpi h GLU 64 Cb 1.20 -0.26 -0.08 0.00 -0.84 0.00 0.00 28.75 28.77 2jpi h GLU 64 CO 0.42 0.76 -0.31 0.22 -1.40 0.00 0.00 179.01 178.69 2jpi h ASP 65 N 1.18 -1.03 0.66 1.42 1.82 -1.97 1.32 116.42 119.82 2jpi h ASP 65 Ca 0.33 0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 57.12 2jpi h ASP 65 Cb -0.10 0.47 0.01 0.00 0.68 0.00 0.00 39.33 40.39 2jpi h ASP 65 CO -0.08 -0.32 -0.32 0.28 -1.61 0.00 0.00 179.24 177.19 2jpi h SER 66 N -0.28 -0.76 -0.98 2.28 0.02 -1.84 0.78 113.55 112.78 2jpi h SER 66 Ca 0.15 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.19 2jpi h SER 66 Cb 0.53 0.20 -0.12 0.00 0.14 0.00 0.00 62.40 63.15 2jpi h SER 66 CO -0.48 -0.48 -0.58 -0.11 -1.14 0.00 0.00 176.83 174.04 2jpi n LEU 67 N -5.44 -1.03 -0.12 5.07 0.00 0.29 -0.13 117.00 115.64 2jpi n LEU 67 Ca -0.13 1.76 -0.07 0.00 0.00 0.00 0.00 56.01 57.57 2jpi n LEU 67 Cb 0.37 -0.23 0.11 0.00 0.00 0.00 0.00 43.42 43.66 2jpi n LEU 67 CO 0.36 -1.42 0.80 0.00 0.00 0.00 0.00 177.39 177.12 2jpi h ALA 68 N 0.47 0.96 -0.87 1.96 0.00 0.17 -0.92 119.26 121.03 2jpi h ALA 68 Ca 0.16 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 54.89 2jpi h ALA 68 Cb 0.40 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2jpi h ALA 68 CO -0.92 0.61 0.56 1.25 0.00 0.00 0.00 179.25 180.76 2jpi h HIS 69 N 0.76 0.78 0.00 0.00 -0.00 0.20 0.26 115.15 117.14 2jpi h HIS 69 Ca 0.13 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2jpi h HIS 69 Cb 0.59 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2jpi h HIS 69 CO 0.03 0.30 -0.00 0.52 -0.00 0.00 0.00 177.93 178.78 2jpi h MET 70 N 0.67 -0.01 -0.38 5.26 2.86 -0.05 -2.32 114.93 120.96 2jpi h MET 70 Ca 0.43 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.18 2jpi h MET 70 Cb 0.71 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 2jpi h MET 70 CO -0.19 0.22 0.33 -0.56 1.06 0.00 0.00 176.91 177.77 2jpi h GLN 71 N -1.00 0.00 0.12 1.72 3.07 -0.98 -2.00 115.11 116.04 2jpi h GLN 71 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.53 2jpi h GLN 71 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.80 2jpi h GLN 71 CO 0.00 0.00 -0.98 -0.97 0.09 0.00 0.00 178.83 176.97 2jpi h ASN 72 N 0.00 0.41 -0.96 0.06 -1.24 -0.61 -3.22 115.58 110.02 2jpi h ASN 72 Ca 0.18 -0.91 0.30 0.00 0.71 0.00 0.00 56.30 56.59 2jpi h ASN 72 Cb 0.83 -0.13 -0.15 0.00 0.73 0.00 0.00 38.32 39.59 2jpi h ASN 72 CO -0.00 1.45 0.42 0.58 -1.29 0.00 0.00 177.43 178.58 2jpi h VAL 73 N -0.40 0.24 -0.17 2.57 2.07 -0.77 0.42 116.25 120.20 2jpi h VAL 73 Ca -0.19 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 2jpi h VAL 73 Cb 1.64 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2jpi h VAL 73 CO 0.10 0.04 -0.13 0.58 0.02 0.00 0.00 177.57 178.18 2jpi h VAL 74 N 0.22 1.33 -1.43 2.57 2.07 -1.64 -2.84 116.25 116.52 2jpi h VAL 74 Ca 0.68 -1.26 0.42 0.00 0.82 0.00 0.00 66.70 67.36 2jpi h VAL 74 Cb 1.54 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 33.01 2jpi h VAL 74 CO -0.67 0.38 1.01 0.00 0.02 0.00 0.00 177.57 178.30 2jpi h ALA 75 N 0.65 3.22 -0.15 1.67 0.00 -0.18 1.11 119.26 125.57 2jpi h ALA 75 Ca 0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2jpi h ALA 75 Cb 0.65 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2jpi h ALA 75 CO 0.04 -1.67 -0.55 0.22 0.00 0.00 0.00 179.25 177.29 2jpi h ASP 76 N 0.05 0.75 -0.78 0.00 3.58 -1.17 -2.62 116.42 116.23 2jpi h ASP 76 Ca 0.71 -0.61 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2jpi h ASP 76 Cb 2.69 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 43.48 2jpi h ASP 76 CO -0.08 1.23 0.44 0.45 -2.88 0.00 0.00 179.24 178.39 2jpi h HIS 77 N 0.31 1.05 -0.02 0.28 3.86 0.13 -0.61 115.15 120.15 2jpi h HIS 77 Ca -0.02 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.07 2jpi h HIS 77 Cb 1.18 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 2jpi h HIS 77 CO 0.10 0.73 -0.45 -0.07 0.86 0.00 0.00 177.93 179.10 2jpi h LEU 78 N 1.07 0.05 0.15 2.43 3.38 -1.35 -2.68 115.31 118.35 2jpi h LEU 78 Ca 0.28 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2jpi h LEU 78 Cb 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jpi h LEU 78 CO -0.05 0.49 -0.07 1.56 0.09 0.00 0.00 178.44 180.46 2jpi h GLN 79 N 0.04 -0.20 -0.54 1.13 1.08 -0.97 -2.28 115.11 113.37 2jpi h GLN 79 Ca -0.00 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.29 2jpi h GLN 79 Cb 0.81 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.25 2jpi h GLN 79 CO 0.06 0.21 0.36 -0.09 -0.95 0.00 0.00 178.83 178.42 2jpi h ARG 80 N -0.67 0.41 0.00 1.46 2.43 -1.13 -0.25 114.38 116.63 2jpi h ARG 80 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2jpi h ARG 80 Cb 0.49 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2jpi h ARG 80 CO 0.03 0.27 -0.17 0.00 -1.51 0.00 0.00 179.97 178.60 2jpi n MET 81 N -4.47 0.21 -3.76 0.20 0.00 -1.02 -4.48 117.12 103.81 2jpi n MET 81 Ca 0.08 0.14 -0.29 0.00 0.00 0.00 0.00 57.70 57.63 2jpi n MET 81 Cb 0.30 -1.71 -0.13 0.00 0.00 0.00 0.00 33.22 31.67 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 -3.09 2.47 -0.71 3.17 0.00 -0.10 -5.07 121.76 118.42 2jpi s ALA 82 Ca 0.10 -2.81 -0.26 0.00 0.00 0.00 0.00 51.96 48.99 2jpi s ALA 82 Cb 0.14 -1.95 0.04 0.00 0.00 0.00 0.00 23.12 21.35 2jpi s ALA 82 CO 0.62 -2.05 1.20 -0.80 0.00 0.00 0.00 175.76 174.73 2jpi s ASN 83 N 0.09 6.18 0.00 0.00 0.01 -1.25 -4.28 114.94 115.70 2jpi s ASN 83 Ca 0.19 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 2jpi s ASN 83 Cb -0.22 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.91 2jpi s ASN 83 CO -0.02 -1.72 0.00 -1.54 -1.51 0.00 0.00 177.10 172.31 2jpi n SER 84 N 8.94 0.00 -4.46 -1.22 3.41 -1.26 -5.15 113.62 113.88 2jpi n SER 84 Ca 0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.37 2jpi n SER 84 Cb 0.48 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 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 1.66 -0.86 4.33 -1.05 -1.26 -5.02 118.70 116.50 2jpi s GLU 85 Ca 0.00 -1.50 -0.22 0.00 -0.15 0.00 0.00 54.97 53.10 2jpi s GLU 85 Cb 0.00 -1.90 -0.14 0.00 -0.44 0.00 0.00 34.13 31.65 2jpi s GLU 85 CO 0.00 0.40 1.94 0.43 0.95 0.00 0.00 175.26 178.98 2jpi n SER 86 N 0.08 2.68 -0.51 0.83 7.64 -1.26 -4.71 113.62 118.36 2jpi n SER 86 Ca -0.11 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.08 2jpi n SER 86 Cb 0.56 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2jpi n SER 86 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jpi n LEU 87 N 8.11 -0.40 -4.55 -3.43 7.99 -1.26 -4.65 117.00 118.81 2jpi n LEU 87 Ca 0.49 0.21 -0.38 0.00 -0.01 0.00 0.00 56.01 56.32 2jpi n LEU 87 Cb 0.41 -0.32 -0.03 0.00 -0.11 0.00 0.00 43.42 43.37 2jpi n LEU 87 CO 0.99 -0.43 1.46 -0.70 -1.51 0.00 0.00 177.39 177.21 2jpi s GLU 88 N 0.00 2.80 -0.07 3.23 2.12 -1.26 -4.93 118.70 120.59 2jpi s GLU 88 Ca 0.00 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.56 2jpi s GLU 88 Cb 0.00 -4.46 0.02 0.00 0.26 0.00 0.00 34.13 29.95 2jpi s GLU 88 CO 0.00 -2.64 -0.10 0.96 -0.54 0.00 0.00 175.26 172.94 2jpi s ILE 89 N 8.18 1.01 -0.41 -3.70 -4.36 -1.26 -4.66 121.20 115.99 2jpi s ILE 89 Ca 0.59 -0.39 -0.17 0.00 -0.26 0.00 0.00 60.65 60.42 2jpi s ILE 89 Cb -0.10 -0.95 0.02 0.00 1.25 0.00 0.00 42.46 42.67 2jpi s ILE 89 CO 0.15 0.33 0.42 0.00 0.24 0.00 0.00 174.94 176.09 2jpi s ALA 90 N 0.86 3.44 -0.14 2.27 0.00 -1.25 -4.98 121.76 121.95 2jpi s ALA 90 Ca -0.11 -1.48 -0.14 0.00 0.00 0.00 0.00 51.96 50.23 2jpi s ALA 90 Cb -0.15 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 2jpi s ALA 90 CO 0.01 -1.51 0.31 1.67 0.00 0.00 0.00 175.76 176.24 2jpi s TRP 91 N 2.11 3.50 0.26 0.00 1.48 -1.26 -3.71 118.94 121.32 2jpi s TRP 91 Ca 0.12 0.65 -0.10 0.00 -1.06 0.00 0.00 56.10 55.71 2jpi s TRP 91 Cb -0.17 -2.33 -0.07 0.00 -1.16 0.00 0.00 33.47 29.74 2jpi s TRP 91 CO 0.13 0.30 0.60 -0.65 -4.06 0.00 0.00 176.95 173.27 2jpi s GLN 92 N 0.23 3.83 0.38 3.25 -0.21 -1.24 -4.97 119.66 120.92 2jpi s GLN 92 Ca 0.18 0.34 0.17 0.00 0.02 0.00 0.00 55.36 56.08 2jpi s GLN 92 Cb -0.13 -2.59 1.09 0.00 1.00 0.00 0.00 33.01 32.38 2jpi s GLN 92 CO 0.05 0.26 1.72 -1.35 -2.12 0.00 0.00 175.29 173.85 2jpi h PRO 93 N 2.35 0.38 0.00 2.91 0.11 -1.95 -3.41 132.00 132.38 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 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jpi h PRO 93 CO 0.68 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.72 2jpi n ALA 94 N -2.41 0.00 -2.41 -0.75 0.00 -1.26 -4.82 120.51 108.85 2jpi n ALA 94 Ca 0.28 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.56 2jpi n ALA 94 Cb 0.94 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.28 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 0.00 1.04 0.00 0.00 2.12 -1.26 -1.41 118.70 119.18 2jpi s GLU 95 Ca 0.00 -1.32 0.24 0.00 0.36 0.00 0.00 54.97 54.25 2jpi s GLU 95 Cb 0.00 -0.80 0.22 0.00 0.26 0.00 0.00 34.13 33.81 2jpi s GLU 95 CO 0.00 0.13 1.28 0.45 -0.54 0.00 0.00 175.26 176.58