#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 -0.11 3.17 0.08 -0.65 -4.90 117.98 118.33 2jpi s PHE 2 Ca 0.00 -0.39 -0.05 0.00 0.12 0.00 0.00 56.93 56.60 2jpi s PHE 2 Cb 0.00 -2.39 0.05 0.00 -0.57 0.00 0.00 43.02 40.11 2jpi s PHE 2 CO 0.00 -0.47 0.25 0.50 -0.10 0.00 0.00 175.22 175.40 2jpi s ARG 3 N -4.38 0.20 0.34 0.44 6.06 -1.26 -3.51 118.95 116.84 2jpi s ARG 3 Ca 0.55 0.57 0.10 0.00 -2.50 0.00 0.00 55.73 54.45 2jpi s ARG 3 Cb -0.10 -0.11 -0.06 0.00 0.06 0.00 0.00 34.95 34.74 2jpi s ARG 3 CO 0.34 -0.18 -0.08 0.45 -2.50 0.00 0.00 175.30 173.32 2jpi s SER 4 N 1.46 3.81 -0.09 -2.12 0.15 -1.26 -1.99 113.70 113.66 2jpi s SER 4 Ca -0.08 -1.14 -0.05 0.00 0.70 0.00 0.00 55.95 55.38 2jpi s SER 4 Cb -0.11 -0.38 0.04 0.00 -1.71 0.00 0.00 66.02 63.86 2jpi s SER 4 CO -0.09 -0.19 0.22 0.42 1.20 0.00 0.00 173.24 174.81 2jpi s THR 5 N -2.58 -0.03 -0.13 6.45 -4.23 -1.26 -3.56 115.64 110.30 2jpi s THR 5 Ca 0.33 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.96 2jpi s THR 5 Cb 0.01 -0.34 -0.02 0.00 1.34 0.00 0.00 72.50 73.49 2jpi s THR 5 CO 0.17 0.05 -0.12 -0.55 -0.54 0.00 0.00 174.62 173.63 2jpi s SER 6 N 1.04 4.09 -0.11 3.99 0.15 -0.36 -3.54 113.70 118.96 2jpi s SER 6 Ca -0.08 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.29 2jpi s SER 6 Cb -0.09 -1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.64 2jpi s SER 6 CO -0.07 0.18 -0.16 -2.28 1.20 0.00 0.00 173.24 172.11 2jpi s HIS 7 N 0.26 2.73 0.03 3.44 2.46 -1.26 -1.13 115.29 121.82 2jpi s HIS 7 Ca -0.09 -0.71 -0.00 0.00 0.47 0.00 0.00 55.06 54.73 2jpi s HIS 7 Cb -0.15 -1.79 -0.03 0.00 -0.13 0.00 0.00 32.58 30.48 2jpi s HIS 7 CO 0.05 -0.23 -0.03 0.08 -2.47 0.00 0.00 174.74 172.14 2jpi s VAL 8 N 0.25 0.15 -0.46 0.89 1.01 -1.03 -4.31 120.40 116.90 2jpi s VAL 8 Ca -0.11 -1.23 -0.15 0.00 0.00 0.00 0.00 61.98 60.49 2jpi s VAL 8 Cb -0.16 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.58 2jpi s VAL 8 CO 0.06 -0.68 0.37 -0.13 0.00 0.00 0.00 175.10 174.73 2jpi s ARG 9 N -2.32 2.96 0.14 2.72 3.00 -1.26 -2.30 118.95 121.89 2jpi s ARG 9 Ca -0.08 -1.30 0.05 0.00 0.00 0.00 0.00 55.73 54.41 2jpi s ARG 9 Cb -0.04 -4.09 -0.04 0.00 0.00 0.00 0.00 34.95 30.78 2jpi s ARG 9 CO -0.04 -0.97 -0.12 -0.08 0.00 0.00 0.00 175.30 174.08 2jpi s THR 10 N 1.64 1.27 0.00 0.02 -1.32 -1.08 -4.98 115.64 111.19 2jpi s THR 10 Ca 0.04 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.66 2jpi s THR 10 Cb -0.23 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.06 2jpi s THR 10 CO 0.07 -0.56 0.07 -1.61 -2.21 0.00 0.00 174.62 170.38 2jpi s GLU 11 N -3.12 3.01 -1.88 7.08 2.02 -1.26 -2.15 118.70 122.40 2jpi s GLU 11 Ca 0.12 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.59 2jpi s GLU 11 Cb -0.02 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.39 2jpi s GLU 11 CO 0.02 0.64 0.00 0.45 0.02 0.00 0.00 175.26 176.39 2jpi n SER 12 N 1.18 -5.66 -0.06 -0.19 2.88 0.51 -4.89 113.62 107.38 2jpi n SER 12 Ca -0.13 0.16 -0.08 0.00 -1.33 0.00 0.00 58.87 57.50 2jpi n SER 12 Cb 0.53 -4.81 -0.02 0.00 -0.75 0.00 0.00 64.21 59.16 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 0.69 -0.12 -0.91 -1.46 0.00 -1.70 -2.49 119.26 113.27 2jpi h ALA 13 Ca -0.46 0.08 0.26 0.00 0.00 0.00 0.00 54.91 54.80 2jpi h ALA 13 Cb 1.35 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 2jpi h ALA 13 CO 0.58 -0.67 1.11 0.00 0.00 0.00 0.00 179.25 180.28 2jpi h ALA 14 N 0.82 2.82 0.23 0.00 0.00 -1.53 0.47 119.26 122.07 2jpi h ALA 14 Ca 0.15 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.69 2jpi h ALA 14 Cb 0.47 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.36 2jpi h ALA 14 CO -0.42 -1.58 -1.51 -0.09 0.00 0.00 0.00 179.25 175.65 2jpi h ARG 15 N 0.00 0.49 0.00 0.00 1.12 -1.74 -2.66 114.38 111.59 2jpi h ARG 15 Ca 0.43 -0.84 -0.02 0.00 -1.11 0.00 0.00 59.98 58.44 2jpi h ARG 15 Cb 2.65 0.31 -0.00 0.00 -0.01 0.00 0.00 29.97 32.92 2jpi h ARG 15 CO -0.00 1.40 -0.12 1.88 -3.11 0.00 0.00 179.97 180.02 2jpi h TYR 16 N 0.13 0.00 0.09 2.20 0.05 -0.17 0.21 116.97 119.48 2jpi h TYR 16 Ca -0.26 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.38 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 0.12 0.12 -0.58 0.28 -1.05 0.00 0.00 178.16 177.04 2jpi h VAL 17 N 0.00 1.56 0.00 -2.88 2.07 -1.50 -3.09 116.25 112.41 2jpi h VAL 17 Ca -0.00 -2.40 -0.07 0.00 0.82 0.00 0.00 66.70 65.04 2jpi h VAL 17 Cb 0.39 3.14 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 2jpi h VAL 17 CO 0.02 0.67 -0.34 0.78 0.02 0.00 0.00 177.57 178.71 2jpi h ASN 18 N -0.48 0.00 1.66 0.57 2.35 -1.09 -2.74 115.58 115.85 2jpi h ASN 18 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2jpi h ASN 18 Cb 1.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.80 2jpi h ASN 18 CO 0.11 0.34 0.00 -0.09 -1.65 0.00 0.00 177.43 176.15 2jpi h ARG 19 N 0.00 0.00 -0.10 0.81 9.65 -0.67 -3.31 114.38 120.76 2jpi h ARG 19 Ca -0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2jpi h ARG 19 Cb 0.67 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.25 2jpi h ARG 19 CO 0.04 0.00 -0.09 -0.07 2.80 0.00 0.00 179.97 182.65 2jpi h LEU 20 N 0.00 0.26 -1.24 3.80 3.38 -1.39 -0.27 115.31 119.84 2jpi h LEU 20 Ca 0.00 -0.47 0.14 0.00 0.09 0.00 0.00 57.88 57.63 2jpi h LEU 20 Cb 0.83 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 2jpi h LEU 20 CO 0.00 0.68 0.58 0.00 0.09 0.00 0.00 178.44 179.79 2jpi h LYS 22 N 0.75 0.00 0.00 0.00 1.57 -1.68 -1.37 116.57 115.84 2jpi h LYS 22 Ca 0.45 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2jpi h LYS 22 Cb 0.67 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2jpi h LYS 22 CO -0.21 0.05 -0.25 1.25 -0.57 0.00 0.00 179.45 179.71 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.15 -3.40 115.15 113.31 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 1.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.01 2jpi h HIS 23 CO 0.00 0.04 -0.52 0.91 -1.30 0.00 0.00 177.93 177.07 2jpi n TRP 24 N -4.70 0.09 -0.79 5.26 7.02 0.19 -4.59 117.44 119.92 2jpi n TRP 24 Ca -0.04 0.03 -0.28 0.00 -1.02 0.00 0.00 57.50 56.19 2jpi n TRP 24 Cb 0.14 -0.33 -0.03 0.00 -2.42 0.00 0.00 31.31 28.67 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 2.70 0.05 6.99 0.00 -0.52 -3.99 105.19 111.89 2jpi n GLY 25 Ca 0.05 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 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 5.53 0.00 -2.02 1.61 8.25 -1.26 -4.78 115.22 122.55 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 0.22 -0.48 -0.00 0.00 1.12 0.00 0.00 29.99 30.84 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 -2.40 0.00 -4.06 -0.41 0.00 -1.26 -5.11 118.16 104.93 2jpi n LYS 27 Ca -0.16 -0.64 -0.08 0.00 0.00 0.00 0.00 58.31 57.43 2jpi n LYS 27 Cb 0.81 -0.25 -0.10 0.00 0.00 0.00 0.00 35.03 35.49 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 -0.47 5.64 0.08 -1.26 -5.11 117.98 117.30 2jpi s PHE 28 Ca 0.01 -0.92 -0.29 0.00 0.12 0.00 0.00 56.93 55.86 2jpi s PHE 28 Cb 0.02 -0.33 0.02 0.00 -0.57 0.00 0.00 43.02 42.16 2jpi s PHE 28 CO -0.01 -0.34 1.26 -1.83 -0.10 0.00 0.00 175.22 174.21 2jpi s GLU 29 N -3.29 3.61 -0.20 0.44 1.03 -1.26 -4.71 118.70 114.32 2jpi s GLU 29 Ca 0.01 0.65 0.01 0.00 0.03 0.00 0.00 54.97 55.67 2jpi s GLU 29 Cb 0.03 -3.98 0.03 0.00 -0.80 0.00 0.00 34.13 29.41 2jpi s GLU 29 CO -0.08 -1.53 -0.17 0.14 -1.33 0.00 0.00 175.26 172.29 2jpi s VAL 30 N 5.00 2.17 0.29 1.83 -7.23 -1.25 -3.19 120.40 118.01 2jpi s VAL 30 Ca 0.52 -1.08 -0.04 0.00 -1.81 0.00 0.00 61.98 59.57 2jpi s VAL 30 Cb -0.10 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 2jpi s VAL 30 CO 0.31 0.39 0.54 -0.70 -0.31 0.00 0.00 175.10 175.33 2jpi s GLU 31 N 1.26 3.61 -0.20 4.82 2.12 0.24 -4.92 118.70 125.62 2jpi s GLU 31 Ca 0.02 -0.06 -0.04 0.00 0.36 0.00 0.00 54.97 55.25 2jpi s GLU 31 Cb -0.15 -2.66 0.07 0.00 0.26 0.00 0.00 34.13 31.64 2jpi s GLU 31 CO -0.10 0.22 0.07 -1.17 -0.54 0.00 0.00 175.26 173.74 2jpi s LEU 32 N -3.61 0.76 0.24 2.70 0.20 -1.26 -3.05 118.68 114.65 2jpi s LEU 32 Ca 0.43 -0.81 0.05 0.00 0.69 0.00 0.00 54.13 54.49 2jpi s LEU 32 Cb -0.11 -0.41 -0.05 0.00 -0.43 0.00 0.00 46.19 45.19 2jpi s LEU 32 CO 0.31 -0.35 -0.04 0.42 -0.29 0.00 0.00 176.35 176.40 2jpi s THR 33 N 2.01 1.31 0.00 3.68 -4.23 -1.19 -5.02 115.64 112.20 2jpi s THR 33 Ca 0.02 -2.08 -0.04 0.00 -1.18 0.00 0.00 61.69 58.41 2jpi s THR 33 Cb -0.16 -2.30 -0.18 0.00 1.34 0.00 0.00 72.50 71.19 2jpi s THR 33 CO -0.12 -0.38 2.87 -0.81 -0.54 0.00 0.00 174.62 175.63 2jpi n PRO 34 N -0.45 1.53 0.00 3.99 -0.04 -1.26 -3.13 135.00 135.64 2jpi n PRO 34 Ca -0.06 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 2jpi n PRO 34 Cb 0.63 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2jpi n PRO 34 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jpi n GLU 35 N 2.36 0.00 -3.69 0.54 -0.58 -1.26 -5.04 120.64 112.97 2jpi n GLU 35 Ca 0.29 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.01 2jpi n GLU 35 Cb 0.71 -0.11 -0.01 0.00 -0.57 0.00 0.00 31.44 31.46 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 -1.04 0.86 -0.24 3.49 1.70 -1.19 -1.94 118.95 120.60 2jpi s ARG 36 Ca 0.00 -0.47 -0.05 0.00 -0.47 0.00 0.00 55.73 54.74 2jpi s ARG 36 Cb 0.00 0.30 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2jpi s ARG 36 CO 0.00 -0.39 0.01 0.20 -1.08 0.00 0.00 175.30 174.03 2jpi s GLY 37 N -2.92 1.68 -0.26 3.88 0.00 -0.53 -3.14 107.32 106.03 2jpi s GLY 37 Ca 0.13 -1.18 -0.11 0.00 0.00 0.00 0.00 44.72 43.55 2jpi s GLY 37 CO -0.01 0.49 0.18 -0.12 0.00 0.00 0.00 173.10 173.64 2jpi s PHE 38 N 1.52 3.26 -0.27 1.90 5.36 -1.17 -2.26 117.98 126.33 2jpi s PHE 38 Ca 0.06 0.18 -0.02 0.00 -0.96 0.00 0.00 56.93 56.18 2jpi s PHE 38 Cb -0.15 -2.34 0.09 0.00 -0.34 0.00 0.00 43.02 40.28 2jpi s PHE 38 CO -0.01 -0.06 0.08 0.42 -1.46 0.00 0.00 175.22 174.19 2jpi s ILE 39 N 1.45 0.64 -0.17 3.12 1.01 -1.11 -0.60 121.20 125.55 2jpi s ILE 39 Ca 0.07 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 2jpi s ILE 39 Cb -0.15 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 2jpi s ILE 39 CO 0.08 -0.52 0.04 1.51 0.00 0.00 0.00 174.94 176.05 2jpi s ASP 40 N 1.76 5.43 -0.06 3.58 -4.77 -1.19 -1.36 116.67 120.06 2jpi s ASP 40 Ca 0.06 0.05 0.18 0.00 -3.30 0.00 0.00 52.55 49.53 2jpi s ASP 40 Cb -0.17 -1.89 0.62 0.00 -1.09 0.00 0.00 42.92 40.38 2jpi s ASP 40 CO -0.21 0.19 1.51 0.49 0.70 0.00 0.00 175.17 177.86 2jpi n PHE 41 N 3.39 1.15 0.00 2.11 3.01 -0.70 -4.26 117.46 122.16 2jpi n PHE 41 Ca -0.17 -0.49 0.00 0.00 1.01 0.00 0.00 57.45 57.80 2jpi n PHE 41 Cb 0.52 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 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 1.26 1.05 2.38 1.37 0.00 -1.26 -4.67 105.19 105.31 2jpi n GLY 42 Ca 0.23 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 2jpi n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jpi n ASP 43 N 0.84 6.83 0.00 1.61 9.92 -1.26 -4.79 116.55 129.70 2jpi n ASP 43 Ca 0.00 -3.00 0.00 0.00 -0.53 0.00 0.00 54.79 51.26 2jpi n ASP 43 Cb 0.00 -1.33 0.00 0.00 -0.64 0.00 0.00 41.12 39.15 2jpi n ASP 43 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2jpi n SER 44 N 1.63 0.00 -3.91 -2.24 3.41 -1.26 -4.44 113.62 106.81 2jpi n SER 44 Ca 0.54 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.06 2jpi n SER 44 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.28 4.04 0.01 0.37 -1.72 114.94 117.23 2jpi s ASN 45 Ca 0.00 -0.77 0.01 0.00 -0.71 0.00 0.00 52.86 51.39 2jpi s ASN 45 Cb 0.00 0.57 0.16 0.00 0.41 0.00 0.00 41.25 42.39 2jpi s ASN 45 CO 0.00 -1.09 0.41 0.00 -1.51 0.00 0.00 177.10 174.91 2jpi s GLU 47 N 2.56 3.47 -0.14 0.00 2.12 0.28 -2.75 118.70 124.25 2jpi s GLU 47 Ca 0.11 -0.48 -0.04 0.00 0.36 0.00 0.00 54.97 54.92 2jpi s GLU 47 Cb -0.13 -2.93 0.06 0.00 0.26 0.00 0.00 34.13 31.39 2jpi s GLU 47 CO -0.27 0.49 0.13 -1.17 -0.54 0.00 0.00 175.26 173.90 2jpi s LEU 48 N -3.16 0.12 -0.07 2.70 2.96 -0.96 -2.41 118.68 117.86 2jpi s LEU 48 Ca 0.36 -0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 53.85 2jpi s LEU 48 Cb -0.11 0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.56 2jpi s LEU 48 CO 0.28 -0.31 0.60 -0.22 -1.32 0.00 0.00 176.35 175.39 2jpi s LEU 49 N 2.22 4.33 -0.14 -0.68 2.96 0.36 -1.45 118.68 126.27 2jpi s LEU 49 Ca 0.04 1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 54.97 2jpi s LEU 49 Cb -0.14 -2.91 0.07 0.00 0.50 0.00 0.00 46.19 43.70 2jpi s LEU 49 CO -0.08 -0.02 0.15 0.00 -1.32 0.00 0.00 176.35 175.08 2jpi s ALA 50 N 0.49 -0.01 0.33 5.97 0.00 -0.82 0.13 121.76 127.85 2jpi s ALA 50 Ca 0.32 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.56 2jpi s ALA 50 Cb -0.17 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2jpi s ALA 50 CO 0.15 -0.94 0.11 -1.58 0.00 0.00 0.00 175.76 173.50 2jpi s HIS 51 N 2.25 2.70 0.63 0.00 2.46 0.28 -2.48 115.29 121.14 2jpi s HIS 51 Ca 0.04 -0.36 0.14 0.00 0.47 0.00 0.00 55.06 55.35 2jpi s HIS 51 Cb -0.14 -1.56 0.76 0.00 -0.13 0.00 0.00 32.58 31.51 2jpi s HIS 51 CO -0.09 0.39 1.42 -1.35 -2.47 0.00 0.00 174.74 172.65 2jpi h PRO 52 N 1.61 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 -3.88 -2.05 9.92 -1.21 -0.37 116.55 116.32 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 0.69 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.09 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 -0.00 1.24 -3.43 -0.91 -2.64 115.29 109.70 2jpi s HIS 54 Ca 0.00 -0.47 -0.00 0.00 -0.80 0.00 0.00 55.06 53.78 2jpi s HIS 54 Cb 0.00 -0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.07 2jpi s HIS 54 CO 0.00 -0.45 0.01 0.54 -2.00 0.00 0.00 174.74 172.84 2jpi s VAL 55 N -3.06 -0.01 0.04 -5.38 0.11 -0.97 1.00 120.40 112.13 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 0.01 -0.03 -0.03 0.00 -1.53 0.00 0.00 36.38 34.81 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 0.16 2.16 -0.20 2.54 1.43 0.34 -2.46 118.68 122.65 2jpi s LEU 56 Ca -0.01 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2jpi s LEU 56 Cb -0.02 -1.27 0.05 0.00 0.03 0.00 0.00 46.19 44.98 2jpi s LEU 56 CO -0.00 0.25 -0.08 -0.04 0.23 0.00 0.00 176.35 176.71 2jpi s MET 57 N -1.22 1.80 -0.03 1.70 -1.94 -0.28 0.14 119.30 119.45 2jpi s MET 57 Ca 0.11 -0.80 0.05 0.00 -1.71 0.00 0.00 55.69 53.35 2jpi s MET 57 Cb -0.10 -2.36 -0.01 0.00 2.01 0.00 0.00 34.83 34.37 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 1.45 1.55 0.06 2.53 1.01 -1.01 -1.22 121.20 125.57 2jpi s ILE 58 Ca -0.02 -0.81 0.09 0.00 0.00 0.00 0.00 60.65 59.92 2jpi s ILE 58 Cb -0.17 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2jpi s ILE 58 CO -0.08 0.44 -0.25 -1.48 0.00 0.00 0.00 174.94 173.57 2jpi s LEU 59 N -0.18 2.20 -0.31 2.97 -0.00 -1.23 -0.56 118.68 121.57 2jpi s LEU 59 Ca 0.01 -0.62 0.03 0.00 -0.00 0.00 0.00 54.13 53.55 2jpi s LEU 59 Cb -0.10 -1.21 0.09 0.00 -0.00 0.00 0.00 46.19 44.97 2jpi s LEU 59 CO 0.01 0.22 0.01 0.20 -0.00 0.00 0.00 176.35 176.80 2jpi s ASN 60 N -1.42 4.59 -0.09 1.48 0.01 -1.05 -4.14 114.94 114.32 2jpi s ASN 60 Ca 0.11 -1.90 -0.07 0.00 -0.71 0.00 0.00 52.86 50.30 2jpi s ASN 60 Cb -0.10 -1.53 0.03 0.00 0.41 0.00 0.00 41.25 40.07 2jpi s ASN 60 CO 0.03 -0.33 0.23 -0.44 -1.51 0.00 0.00 177.10 175.07 2jpi s SER 61 N 1.03 -0.24 0.00 -1.22 0.01 -1.23 0.14 113.70 112.19 2jpi s SER 61 Ca 0.06 0.47 0.12 0.00 1.31 0.00 0.00 55.95 57.91 2jpi s SER 61 Cb -0.19 0.43 0.54 0.00 0.21 0.00 0.00 66.02 67.01 2jpi s SER 61 CO -0.09 -0.11 1.38 -0.81 0.41 0.00 0.00 173.24 174.03 2jpi n PRO 62 N 3.46 0.02 -4.00 12.44 -0.04 -1.26 -1.63 135.00 143.99 2jpi n PRO 62 Ca -0.18 0.27 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 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 -2.95 0.37 0.20 3.54 -4.77 -1.26 -4.03 116.67 107.78 2jpi s ASP 63 Ca 0.07 -0.31 -0.11 0.00 -3.30 0.00 0.00 52.55 48.89 2jpi s ASP 63 Cb 0.08 0.03 0.14 0.00 -1.09 0.00 0.00 42.92 42.09 2jpi s ASP 63 CO 0.22 -0.14 1.85 -0.33 0.70 0.00 0.00 175.17 177.47 2jpi h GLU 64 N 5.25 0.82 -0.44 2.11 3.07 -1.97 1.02 114.58 124.44 2jpi h GLU 64 Ca -0.30 -0.05 0.08 0.00 -0.50 0.00 0.00 59.36 58.60 2jpi h GLU 64 Cb 1.21 -0.18 -0.10 0.00 -0.84 0.00 0.00 28.75 28.84 2jpi h GLU 64 CO 0.45 0.54 -0.33 0.22 -1.40 0.00 0.00 179.01 178.49 2jpi h ASP 65 N 0.84 -1.10 0.63 1.42 1.82 -1.98 1.34 116.42 119.39 2jpi h ASP 65 Ca 0.25 0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 57.06 2jpi h ASP 65 Cb -0.04 0.52 0.01 0.00 0.68 0.00 0.00 39.33 40.50 2jpi h ASP 65 CO -0.08 -0.32 -0.30 0.28 -1.61 0.00 0.00 179.24 177.21 2jpi h SER 66 N -0.23 -0.71 -0.96 2.28 0.02 -1.83 0.60 113.55 112.72 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 0.18 -0.12 0.00 0.14 0.00 0.00 62.40 63.15 2jpi h SER 66 CO -0.57 -0.46 -0.57 -0.11 -1.14 0.00 0.00 176.83 173.98 2jpi n LEU 67 N -5.43 -1.02 -0.07 5.07 0.00 0.35 -0.03 117.00 115.88 2jpi n LEU 67 Ca -0.13 1.75 -0.05 0.00 0.00 0.00 0.00 56.01 57.58 2jpi n LEU 67 Cb 0.35 -0.24 0.16 0.00 0.00 0.00 0.00 43.42 43.69 2jpi n LEU 67 CO 0.36 -1.42 0.80 0.00 0.00 0.00 0.00 177.39 177.14 2jpi h ALA 68 N 0.45 1.05 -0.87 1.96 0.00 0.17 -0.86 119.26 121.16 2jpi h ALA 68 Ca 0.15 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.87 2jpi h ALA 68 Cb 0.40 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2jpi h ALA 68 CO -0.91 0.58 0.56 1.25 0.00 0.00 0.00 179.25 180.74 2jpi h HIS 69 N 0.64 0.88 0.04 0.00 -0.00 0.20 0.21 115.15 117.11 2jpi h HIS 69 Ca 0.11 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2jpi h HIS 69 Cb 0.57 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 2jpi h HIS 69 CO 0.03 0.38 -0.02 0.52 -0.00 0.00 0.00 177.93 178.84 2jpi h MET 70 N 0.79 -0.05 -0.39 5.26 2.86 0.05 -2.23 114.93 121.23 2jpi h MET 70 Ca 0.42 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.17 2jpi h MET 70 Cb 0.51 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2jpi h MET 70 CO -0.18 0.20 0.32 -0.56 1.06 0.00 0.00 176.91 177.75 2jpi h GLN 71 N -1.00 0.00 0.12 1.72 3.07 -1.01 -2.13 115.11 115.88 2jpi h GLN 71 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.53 2jpi h GLN 71 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.84 2jpi h GLN 71 CO 0.01 0.00 -0.98 -0.97 0.09 0.00 0.00 178.83 176.98 2jpi h ASN 72 N 0.00 0.40 -0.96 0.06 -1.24 -0.69 -3.24 115.58 109.91 2jpi h ASN 72 Ca 0.19 -0.91 0.31 0.00 0.71 0.00 0.00 56.30 56.59 2jpi h ASN 72 Cb 0.82 -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 0.00 177.43 178.59 2jpi h VAL 73 N -0.41 0.24 -0.13 2.57 2.07 -0.73 0.24 116.25 120.10 2jpi h VAL 73 Ca -0.19 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 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 -0.18 0.58 0.02 0.00 0.00 177.57 178.13 2jpi h VAL 74 N 0.22 1.36 -1.07 2.57 2.07 -1.66 -2.91 116.25 116.83 2jpi h VAL 74 Ca 0.69 -1.39 0.31 0.00 0.82 0.00 0.00 66.70 67.13 2jpi h VAL 74 Cb 1.55 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 33.24 2jpi h VAL 74 CO -0.67 0.41 0.88 0.00 0.02 0.00 0.00 177.57 178.21 2jpi h ALA 75 N 0.57 2.96 0.03 1.67 0.00 -0.56 0.78 119.26 124.71 2jpi h ALA 75 Ca 0.02 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 2jpi h ALA 75 Cb 0.73 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.62 2jpi h ALA 75 CO 0.04 -1.44 -0.86 0.22 0.00 0.00 0.00 179.25 177.21 2jpi h ASP 76 N 0.00 0.70 -0.82 0.00 1.82 -1.22 -3.13 116.42 113.77 2jpi h ASP 76 Ca 0.51 -0.78 0.02 0.00 -0.39 0.00 0.00 57.03 56.39 2jpi h ASP 76 Cb 2.27 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 42.02 2jpi h ASP 76 CO -0.01 1.40 0.53 0.45 -1.61 0.00 0.00 179.24 180.01 2jpi h HIS 77 N 0.08 1.00 0.00 0.28 3.86 0.65 -0.43 115.15 120.59 2jpi h HIS 77 Ca -0.12 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 2jpi h HIS 77 Cb 1.56 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 29.69 2jpi h HIS 77 CO 0.13 0.60 -0.17 -0.07 0.86 0.00 0.00 177.93 179.28 2jpi h LEU 78 N 1.06 0.00 -0.09 2.43 3.38 -1.44 -2.58 115.31 118.07 2jpi h LEU 78 Ca 0.31 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.15 2jpi h LEU 78 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2jpi h LEU 78 CO -0.09 0.17 -0.48 -0.61 0.09 0.00 0.00 178.44 177.52 2jpi h GLN 79 N 0.00 0.47 -0.42 1.13 4.15 -1.06 -2.44 115.11 116.94 2jpi h GLN 79 Ca -0.00 -0.39 -0.02 0.00 0.77 0.00 0.00 58.65 59.00 2jpi h GLN 79 Cb 0.36 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2jpi h GLN 79 CO 0.02 1.03 0.16 -0.09 -1.93 0.00 0.00 178.83 178.03 2jpi h ARG 80 N 0.04 0.60 0.00 1.69 2.43 -1.02 -1.43 114.38 116.69 2jpi h ARG 80 Ca -0.04 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2jpi h ARG 80 Cb 1.13 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2jpi h ARG 80 CO 0.10 0.51 -0.03 0.00 -1.51 0.00 0.00 179.97 179.03 2jpi n MET 81 N -4.37 0.25 -3.59 0.20 0.00 -1.00 -4.67 117.12 103.94 2jpi n MET 81 Ca 0.03 0.20 -0.21 0.00 0.00 0.00 0.00 57.70 57.71 2jpi n MET 81 Cb 0.15 -1.78 -0.16 0.00 0.00 0.00 0.00 33.22 31.43 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 -3.10 0.10 0.14 3.17 0.00 -0.54 -5.10 121.76 116.44 2jpi s ALA 82 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2jpi s ALA 82 Cb 0.13 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.23 2jpi s ALA 82 CO 0.60 -0.99 0.05 0.09 0.00 0.00 0.00 175.76 175.51 2jpi n ASN 83 N 5.30 0.10 0.00 0.00 4.13 -1.24 -4.49 115.26 119.05 2jpi n ASN 83 Ca -0.06 -1.08 0.00 0.00 1.68 0.00 0.00 54.58 55.13 2jpi n ASN 83 Cb 0.49 -0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.71 2jpi n ASN 83 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2jpi n SER 84 N -2.97 0.00 -3.61 6.41 2.88 -1.26 -4.94 113.62 110.12 2jpi n SER 84 Ca 0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 2jpi n SER 84 Cb 0.03 0.00 -0.06 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 -0.05 0.46 -1.30 -1.46 -1.05 -1.26 -5.06 118.70 108.98 2jpi s GLU 85 Ca 0.00 0.30 -0.16 0.00 -0.15 0.00 0.00 54.97 54.96 2jpi s GLU 85 Cb 0.00 0.22 -0.00 0.00 -0.44 0.00 0.00 34.13 33.91 2jpi s GLU 85 CO 0.00 -0.11 2.11 -1.13 0.95 0.00 0.00 175.26 177.08 2jpi n SER 86 N 1.38 3.69 -0.39 0.83 3.41 -1.26 -4.79 113.62 116.48 2jpi n SER 86 Ca -0.10 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.69 2jpi n SER 86 Cb 0.57 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 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 6.84 -0.31 -4.55 1.04 7.99 -1.26 -4.63 117.00 122.12 2jpi n LEU 87 Ca 0.51 0.15 -0.37 0.00 -0.01 0.00 0.00 56.01 56.29 2jpi n LEU 87 Cb 0.40 -0.24 -0.03 0.00 -0.11 0.00 0.00 43.42 43.44 2jpi n LEU 87 CO 0.91 -0.32 1.51 -0.70 -1.51 0.00 0.00 177.39 177.27 2jpi s GLU 88 N 0.00 2.71 -0.05 3.23 2.12 -1.26 -4.92 118.70 120.53 2jpi s GLU 88 Ca 0.00 0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.66 2jpi s GLU 88 Cb 0.00 -4.50 0.02 0.00 0.26 0.00 0.00 34.13 29.91 2jpi s GLU 88 CO 0.00 -2.75 -0.06 0.96 -0.54 0.00 0.00 175.26 172.87 2jpi s ILE 89 N 8.71 0.69 -0.40 -3.70 -0.00 -1.26 -4.79 121.20 120.45 2jpi s ILE 89 Ca 0.63 -0.20 -0.14 0.00 -0.00 0.00 0.00 60.65 60.94 2jpi s ILE 89 Cb -0.11 -0.69 0.02 0.00 -0.00 0.00 0.00 42.46 41.68 2jpi s ILE 89 CO 0.16 0.26 0.28 0.00 -0.00 0.00 0.00 174.94 175.64 2jpi s ALA 90 N 0.94 3.45 -0.08 2.27 0.00 -1.26 -5.03 121.76 122.04 2jpi s ALA 90 Ca -0.11 -1.68 -0.16 0.00 0.00 0.00 0.00 51.96 50.01 2jpi s ALA 90 Cb -0.14 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 2jpi s ALA 90 CO 0.00 -1.39 0.43 1.67 0.00 0.00 0.00 175.76 176.47 2jpi s TRP 91 N 1.66 3.59 0.20 0.00 1.48 -1.26 -4.04 118.94 120.58 2jpi s TRP 91 Ca 0.05 0.90 -0.14 0.00 -1.06 0.00 0.00 56.10 55.84 2jpi s TRP 91 Cb -0.19 -2.43 -0.07 0.00 -1.16 0.00 0.00 33.47 29.62 2jpi s TRP 91 CO 0.09 0.36 0.60 -0.65 -4.06 0.00 0.00 176.95 173.29 2jpi s GLN 92 N -0.06 3.97 0.42 3.25 -0.21 -1.23 -4.97 119.66 120.84 2jpi s GLN 92 Ca 0.24 0.51 0.23 0.00 0.02 0.00 0.00 55.36 56.35 2jpi s GLN 92 Cb -0.15 -2.77 1.23 0.00 1.00 0.00 0.00 33.01 32.31 2jpi s GLN 92 CO 0.11 0.38 1.73 -1.35 -2.12 0.00 0.00 175.29 174.03 2jpi h PRO 93 N 3.07 0.27 0.00 2.91 0.11 -1.94 -3.41 132.00 133.02 2jpi h PRO 93 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jpi h PRO 93 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jpi h PRO 93 CO 0.67 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 2jpi n ALA 94 N -2.51 0.00 -2.76 -0.75 0.00 -1.26 -4.82 120.51 108.41 2jpi n ALA 94 Ca 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.70 2jpi n ALA 94 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.49 2jpi n ALA 94 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jpi n GLU 95 N 0.00 -3.48 0.00 0.00 4.07 -0.84 -4.74 120.64 115.65 2jpi n GLU 95 Ca 0.00 2.74 0.07 0.00 -0.06 0.00 0.00 57.16 59.92 2jpi n GLU 95 Cb 0.00 -4.16 0.06 0.00 -0.06 0.00 0.00 31.44 27.28 2jpi n GLU 95 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50