#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 2.86 -0.13 3.17 0.08 -0.14 -4.78 117.98 119.03 2jpi s PHE 2 Ca 0.00 0.49 -0.06 0.00 0.12 0.00 0.00 56.93 57.49 2jpi s PHE 2 Cb 0.00 -3.29 0.06 0.00 -0.57 0.00 0.00 43.02 39.22 2jpi s PHE 2 CO 0.00 -1.54 0.29 0.50 -0.10 0.00 0.00 175.22 174.37 2jpi s ARG 3 N -5.34 0.21 0.33 0.44 6.06 -0.74 -3.32 118.95 116.58 2jpi s ARG 3 Ca 0.61 0.71 0.09 0.00 -2.50 0.00 0.00 55.73 54.64 2jpi s ARG 3 Cb -0.10 -0.03 -0.05 0.00 0.06 0.00 0.00 34.95 34.83 2jpi s ARG 3 CO 0.46 -0.23 -0.00 0.45 -2.50 0.00 0.00 175.30 173.48 2jpi s SER 4 N 1.95 4.17 -0.10 -2.12 0.15 -1.26 -3.51 113.70 112.98 2jpi s SER 4 Ca -0.04 -0.97 -0.05 0.00 0.70 0.00 0.00 55.95 55.60 2jpi s SER 4 Cb -0.11 -0.54 0.05 0.00 -1.71 0.00 0.00 66.02 63.70 2jpi s SER 4 CO -0.09 -0.20 0.23 0.42 1.20 0.00 0.00 173.24 174.80 2jpi s THR 5 N -2.50 -0.07 -0.14 6.45 -4.23 -1.26 -3.48 115.64 110.41 2jpi s THR 5 Ca 0.34 0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 61.00 2jpi s THR 5 Cb -0.01 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.44 2jpi s THR 5 CO 0.19 0.07 -0.07 -0.55 -0.54 0.00 0.00 174.62 173.72 2jpi s SER 6 N 1.35 4.56 -0.12 3.99 0.15 -0.54 -3.64 113.70 119.45 2jpi s SER 6 Ca -0.08 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2jpi s SER 6 Cb -0.11 -1.65 -0.02 0.00 -1.71 0.00 0.00 66.02 62.54 2jpi s SER 6 CO -0.08 0.20 -0.12 -2.28 1.20 0.00 0.00 173.24 172.15 2jpi s HIS 7 N 0.18 2.82 0.03 3.44 2.46 -1.25 -1.56 115.29 121.41 2jpi s HIS 7 Ca -0.04 -0.52 -0.01 0.00 0.47 0.00 0.00 55.06 54.96 2jpi s HIS 7 Cb -0.14 -1.82 -0.03 0.00 -0.13 0.00 0.00 32.58 30.46 2jpi s HIS 7 CO 0.03 -0.12 -0.02 0.08 -2.47 0.00 0.00 174.74 172.24 2jpi s VAL 8 N 0.16 0.15 -0.46 0.89 1.01 -1.00 -4.15 120.40 116.99 2jpi s VAL 8 Ca -0.07 -1.21 -0.15 0.00 0.00 0.00 0.00 61.98 60.56 2jpi s VAL 8 Cb -0.15 -0.71 0.07 0.00 0.00 0.00 0.00 36.38 35.59 2jpi s VAL 8 CO 0.05 -0.67 0.37 -0.13 0.00 0.00 0.00 175.10 174.72 2jpi s ARG 9 N -2.33 2.94 0.13 2.72 3.00 -1.26 -2.31 118.95 121.84 2jpi s ARG 9 Ca -0.08 -1.33 0.05 0.00 0.00 0.00 0.00 55.73 54.37 2jpi s ARG 9 Cb -0.04 -4.08 -0.04 0.00 0.00 0.00 0.00 34.95 30.79 2jpi s ARG 9 CO -0.04 -0.99 -0.12 -0.08 0.00 0.00 0.00 175.30 174.06 2jpi s THR 10 N 1.62 1.26 0.03 0.02 -1.32 -1.08 -4.97 115.64 111.20 2jpi s THR 10 Ca 0.04 -1.84 0.02 0.00 -1.21 0.00 0.00 61.69 58.70 2jpi s THR 10 Cb -0.24 -1.63 -0.04 0.00 -1.51 0.00 0.00 72.50 69.08 2jpi s THR 10 CO 0.06 -0.54 0.05 -0.70 -2.21 0.00 0.00 174.62 171.28 2jpi s GLU 11 N -3.06 2.87 -2.05 7.08 -6.30 -1.26 -1.93 118.70 114.05 2jpi s GLU 11 Ca 0.12 -0.62 0.00 0.00 -2.50 0.00 0.00 54.97 51.96 2jpi s GLU 11 Cb -0.02 -2.73 0.00 0.00 0.00 0.00 0.00 34.13 31.38 2jpi s GLU 11 CO 0.02 0.60 0.00 0.45 0.02 0.00 0.00 175.26 176.36 2jpi n SER 12 N 0.95 -5.65 -0.01 -1.70 2.88 0.61 -4.89 113.62 105.83 2jpi n SER 12 Ca -0.12 0.31 -0.12 0.00 -1.33 0.00 0.00 58.87 57.61 2jpi n SER 12 Cb 0.52 -4.87 -0.06 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 0.39 -0.55 -0.53 -1.46 0.00 -1.70 -2.17 119.26 113.24 2jpi h ALA 13 Ca -0.45 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.61 2jpi h ALA 13 Cb 1.36 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 2jpi h ALA 13 CO 0.61 -0.90 1.02 0.00 0.00 0.00 0.00 179.25 179.97 2jpi h ALA 14 N 0.17 2.44 -0.00 0.00 0.00 -1.49 0.20 119.26 120.58 2jpi h ALA 14 Ca 0.08 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2jpi h ALA 14 Cb 0.61 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2jpi h ALA 14 CO -0.40 -1.29 -0.64 -0.09 0.00 0.00 0.00 179.25 176.83 2jpi h ARG 15 N 0.00 0.44 -0.55 0.00 1.12 -1.68 -2.28 114.38 111.43 2jpi h ARG 15 Ca 0.25 -0.47 -0.09 0.00 -1.11 0.00 0.00 59.98 58.56 2jpi h ARG 15 Cb 2.29 0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 32.36 2jpi h ARG 15 CO -0.00 1.12 -0.02 1.88 -3.11 0.00 0.00 179.97 179.84 2jpi h TYR 16 N -0.05 1.03 -0.62 2.20 0.05 -0.73 0.81 116.97 119.65 2jpi h TYR 16 Ca -0.08 -0.17 -0.00 0.00 0.05 0.00 0.00 58.73 58.53 2jpi h TYR 16 Cb 1.35 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.78 2jpi h TYR 16 CO 0.14 0.93 0.38 0.28 -1.05 0.00 0.00 178.16 178.84 2jpi h VAL 17 N 0.87 1.18 0.04 -2.88 2.07 -1.54 1.08 116.25 117.05 2jpi h VAL 17 Ca 0.16 -0.38 -0.26 0.00 0.82 0.00 0.00 66.70 67.03 2jpi h VAL 17 Cb 0.54 0.29 0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2jpi h VAL 17 CO 0.03 0.18 -1.07 0.78 0.02 0.00 0.00 177.57 177.51 2jpi h ASN 18 N 0.86 0.75 0.47 0.57 -0.26 -0.66 -3.31 115.58 114.00 2jpi h ASN 18 Ca 0.23 -0.64 -0.30 0.00 -0.56 0.00 0.00 56.30 55.03 2jpi h ASN 18 Cb -0.04 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 36.97 2jpi h ASN 18 CO -0.04 1.44 -1.58 -0.09 -1.06 0.00 0.00 177.43 176.10 2jpi h ARG 19 N 0.30 0.17 -0.28 0.81 9.65 0.12 -3.38 114.38 121.76 2jpi h ARG 19 Ca -0.13 -0.29 0.03 0.00 -1.10 0.00 0.00 59.98 58.49 2jpi h ARG 19 Cb 1.73 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 30.39 2jpi h ARG 19 CO 0.20 0.97 0.09 -0.07 2.80 0.00 0.00 179.97 183.96 2jpi h LEU 20 N 0.05 0.09 -1.12 3.80 3.38 0.10 -1.23 115.31 120.39 2jpi h LEU 20 Ca -0.25 0.03 0.15 0.00 0.09 0.00 0.00 57.88 57.90 2jpi h LEU 20 Cb 1.99 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.68 2jpi h LEU 20 CO 0.13 0.09 0.61 0.00 0.09 0.00 0.00 178.44 179.36 2jpi h LYS 22 N 0.81 0.00 0.00 0.00 1.57 -1.61 -2.32 116.57 115.02 2jpi h LYS 22 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2jpi h LYS 22 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2jpi h LYS 22 CO -0.28 0.03 -0.17 0.45 -0.57 0.00 0.00 179.45 178.92 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 3.86 0.93 -3.37 115.15 115.22 2jpi h HIS 23 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jpi h HIS 23 Cb 0.90 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.37 2jpi h HIS 23 CO 0.00 0.00 0.00 0.91 0.86 0.00 0.00 177.93 179.70 2jpi n TRP 24 N -3.81 0.58 -1.21 2.45 7.02 0.60 -4.37 117.44 118.69 2jpi n TRP 24 Ca -0.02 0.21 -0.41 0.00 -1.02 0.00 0.00 57.50 56.26 2jpi n TRP 24 Cb 0.09 -0.84 -0.06 0.00 -2.42 0.00 0.00 31.31 28.07 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 0.35 2.16 0.05 6.99 0.00 -0.87 -4.23 105.19 109.64 2jpi n GLY 25 Ca 0.03 -1.16 -0.05 0.00 0.00 0.00 0.00 46.02 44.84 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 8.60 0.00 -1.82 1.61 8.25 -1.26 -4.80 115.22 125.80 2jpi n HIS 26 Ca 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 2jpi n HIS 26 Cb 0.41 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.44 0.00 -4.19 -0.41 0.00 -1.26 -5.12 118.16 104.74 2jpi n LYS 27 Ca -0.17 -0.49 -0.12 0.00 0.00 0.00 0.00 58.31 57.54 2jpi n LYS 27 Cb 0.80 -0.29 -0.10 0.00 0.00 0.00 0.00 35.03 35.44 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 1.02 -0.30 5.64 0.08 -1.26 -5.11 117.98 118.05 2jpi s PHE 28 Ca 0.00 -1.10 -0.29 0.00 0.12 0.00 0.00 56.93 55.66 2jpi s PHE 28 Cb 0.00 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.87 2jpi s PHE 28 CO 0.00 -0.33 1.24 -1.83 -0.10 0.00 0.00 175.22 174.20 2jpi s GLU 29 N -3.96 3.96 -0.24 0.44 -1.05 -1.25 -4.76 118.70 111.84 2jpi s GLU 29 Ca 0.22 1.21 0.02 0.00 -0.15 0.00 0.00 54.97 56.27 2jpi s GLU 29 Cb 0.07 -3.84 0.05 0.00 -0.44 0.00 0.00 34.13 29.97 2jpi s GLU 29 CO 0.02 -1.05 -0.10 0.14 0.95 0.00 0.00 175.26 175.22 2jpi s VAL 30 N 4.16 1.88 0.30 1.83 -7.23 -1.24 -2.59 120.40 117.51 2jpi s VAL 30 Ca 0.53 -1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 59.32 2jpi s VAL 30 Cb -0.16 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2jpi s VAL 30 CO 0.21 0.01 0.52 -0.70 -0.31 0.00 0.00 175.10 174.83 2jpi s GLU 31 N 1.25 3.54 -0.19 4.82 2.12 0.19 -4.90 118.70 125.53 2jpi s GLU 31 Ca -0.06 -0.21 -0.05 0.00 0.36 0.00 0.00 54.97 55.01 2jpi s GLU 31 Cb -0.19 -2.69 0.07 0.00 0.26 0.00 0.00 34.13 31.59 2jpi s GLU 31 CO -0.06 0.22 0.13 -1.17 -0.54 0.00 0.00 175.26 173.84 2jpi s LEU 32 N -3.85 0.24 0.15 2.70 0.20 -1.26 -2.92 118.68 113.94 2jpi s LEU 32 Ca 0.41 -0.58 0.06 0.00 0.69 0.00 0.00 54.13 54.71 2jpi s LEU 32 Cb -0.10 -0.08 -0.04 0.00 -0.43 0.00 0.00 46.19 45.54 2jpi s LEU 32 CO 0.33 -0.35 -0.13 0.42 -0.29 0.00 0.00 176.35 176.32 2jpi s THR 33 N 2.19 1.40 -0.23 3.68 -4.23 -1.10 -5.02 115.64 112.33 2jpi s THR 33 Ca 0.04 -1.94 -0.04 0.00 -1.18 0.00 0.00 61.69 58.56 2jpi s THR 33 Cb -0.16 -1.76 -0.15 0.00 1.34 0.00 0.00 72.50 71.78 2jpi s THR 33 CO -0.13 -0.55 2.49 -0.81 -0.54 0.00 0.00 174.62 175.08 2jpi n PRO 34 N 0.10 1.55 0.00 3.99 -0.04 -1.26 -2.58 135.00 136.76 2jpi n PRO 34 Ca -0.12 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 2jpi n PRO 34 Cb 0.59 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 2.98 0.00 -3.69 0.54 1.02 -1.26 -5.11 120.64 115.12 2jpi n GLU 35 Ca 0.33 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.46 2jpi n GLU 35 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.91 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 -1.00 0.84 0.21 3.49 3.03 -1.07 -3.14 118.95 121.32 2jpi s ARG 36 Ca 0.00 -0.46 0.06 0.00 2.03 0.00 0.00 55.73 57.36 2jpi s ARG 36 Cb 0.00 0.29 -0.04 0.00 -1.03 0.00 0.00 34.95 34.17 2jpi s ARG 36 CO 0.00 -0.38 0.15 0.20 -1.13 0.00 0.00 175.30 174.13 2jpi s GLY 37 N -2.94 1.56 -0.16 3.88 0.00 0.18 -2.70 107.32 107.14 2jpi s GLY 37 Ca 0.13 -1.35 -0.02 0.00 0.00 0.00 0.00 44.72 43.47 2jpi s GLY 37 CO -0.01 -1.38 0.02 -0.12 0.00 0.00 0.00 173.10 171.61 2jpi s PHE 38 N -1.97 0.97 -0.25 1.90 2.19 -1.15 -0.23 117.98 119.44 2jpi s PHE 38 Ca 0.32 -0.68 0.00 0.00 0.33 0.00 0.00 56.93 56.90 2jpi s PHE 38 Cb -0.09 -0.99 0.07 0.00 -1.31 0.00 0.00 43.02 40.71 2jpi s PHE 38 CO 0.24 -0.53 -0.01 0.42 1.83 0.00 0.00 175.22 177.17 2jpi s ILE 39 N 1.87 1.35 -0.12 3.12 1.01 -0.34 -0.64 121.20 127.46 2jpi s ILE 39 Ca 0.01 -1.26 -0.06 0.00 0.00 0.00 0.00 60.65 59.33 2jpi s ILE 39 Cb -0.16 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2jpi s ILE 39 CO -0.07 -0.26 0.11 1.51 0.00 0.00 0.00 174.94 176.22 2jpi s ASP 40 N 1.45 6.09 0.00 3.58 -4.77 -1.07 -0.91 116.67 121.04 2jpi s ASP 40 Ca -0.01 0.37 0.20 0.00 -3.30 0.00 0.00 52.55 49.81 2jpi s ASP 40 Cb -0.18 -1.93 0.41 0.00 -1.09 0.00 0.00 42.92 40.13 2jpi s ASP 40 CO -0.10 0.38 1.35 0.49 0.70 0.00 0.00 175.17 177.99 2jpi n PHE 41 N 2.17 0.53 0.00 2.11 3.72 -1.25 -3.83 117.46 120.91 2jpi n PHE 41 Ca -0.19 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 2jpi n PHE 41 Cb 0.54 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 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 1.28 1.86 2.46 1.37 0.00 -1.26 -4.80 105.19 106.10 2jpi n GLY 42 Ca 0.18 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 2jpi n GLY 42 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jpi n ASP 43 N 0.01 6.56 0.00 1.61 5.75 -1.26 -4.85 116.55 124.37 2jpi n ASP 43 Ca 0.00 -3.15 0.00 0.00 -0.01 0.00 0.00 54.79 51.63 2jpi n ASP 43 Cb 0.00 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 38.83 2jpi n ASP 43 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jpi n SER 44 N 1.07 0.00 -3.66 -1.12 3.41 -1.26 -4.24 113.62 107.83 2jpi n SER 44 Ca 0.50 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 59.06 2jpi n SER 44 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 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 -4.00 -0.23 -0.29 4.04 0.01 0.34 -3.88 114.94 110.94 2jpi s ASN 45 Ca 0.00 -0.24 0.03 0.00 -0.71 0.00 0.00 52.86 51.94 2jpi s ASN 45 Cb 0.00 0.42 0.18 0.00 0.41 0.00 0.00 41.25 42.26 2jpi s ASN 45 CO 0.00 -0.75 0.50 0.00 -1.51 0.00 0.00 177.10 175.34 2jpi s GLU 47 N 2.70 3.57 -0.11 0.00 2.12 -0.06 -1.19 118.70 125.73 2jpi s GLU 47 Ca 0.11 -0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.25 2jpi s GLU 47 Cb -0.12 -2.76 0.04 0.00 0.26 0.00 0.00 34.13 31.55 2jpi s GLU 47 CO -0.26 0.32 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.61 2jpi s LEU 48 N -3.39 0.81 -0.18 2.70 2.96 0.68 -2.74 118.68 119.52 2jpi s LEU 48 Ca 0.41 -0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 53.88 2jpi s LEU 48 Cb -0.11 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 2jpi s LEU 48 CO 0.29 -0.21 0.35 -0.22 -1.32 0.00 0.00 176.35 175.24 2jpi s LEU 49 N 1.91 4.20 -0.16 -0.68 0.20 0.20 0.49 118.68 124.84 2jpi s LEU 49 Ca 0.04 0.52 -0.04 0.00 0.69 0.00 0.00 54.13 55.33 2jpi s LEU 49 Cb -0.13 -2.46 0.07 0.00 -0.43 0.00 0.00 46.19 43.24 2jpi s LEU 49 CO -0.06 0.00 0.20 0.00 -0.29 0.00 0.00 176.35 176.20 2jpi s ALA 50 N 0.92 -0.24 0.34 5.97 0.00 -1.19 0.12 121.76 127.69 2jpi s ALA 50 Ca 0.18 0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.63 2jpi s ALA 50 Cb -0.14 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 2jpi s ALA 50 CO 0.06 -0.94 0.11 -1.58 0.00 0.00 0.00 175.76 173.41 2jpi s HIS 51 N 2.32 2.67 0.60 0.00 2.46 0.27 -2.27 115.29 121.34 2jpi s HIS 51 Ca 0.05 -0.40 0.16 0.00 0.47 0.00 0.00 55.06 55.34 2jpi s HIS 51 Cb -0.14 -1.60 0.89 0.00 -0.13 0.00 0.00 32.58 31.60 2jpi s HIS 51 CO -0.10 0.38 1.48 -1.35 -2.47 0.00 0.00 174.74 172.68 2jpi h PRO 52 N 1.62 0.00 0.00 2.88 0.11 -1.91 -2.50 132.00 132.20 2jpi h PRO 52 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 -2.63 0.00 -3.86 -2.05 2.03 -1.19 -0.28 116.55 108.56 2jpi n ASP 53 Ca -0.01 -1.00 -0.10 0.00 0.52 0.00 0.00 54.79 54.20 2jpi n ASP 53 Cb 0.62 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.94 2jpi n ASP 53 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2jpi s HIS 54 N 0.00 0.12 -0.04 -0.67 -3.43 -0.81 -2.64 115.29 107.81 2jpi s HIS 54 Ca 0.00 -0.44 -0.03 0.00 -0.80 0.00 0.00 55.06 53.78 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 0.11 0.54 -2.00 0.00 0.00 174.74 172.92 2jpi s VAL 55 N -3.14 -0.01 0.07 -5.38 0.11 -0.98 0.98 120.40 112.05 2jpi s VAL 55 Ca -0.01 0.03 0.09 0.00 -2.93 0.00 0.00 61.98 59.17 2jpi s VAL 55 Cb 0.02 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 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 0.26 2.21 -0.18 2.54 1.43 0.33 -2.37 118.68 122.90 2jpi s LEU 56 Ca -0.02 -0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2jpi s LEU 56 Cb -0.03 -1.18 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 -1.45 1.44 -0.03 1.70 -1.94 -0.60 0.62 119.30 119.03 2jpi s MET 57 Ca 0.11 -0.59 0.06 0.00 -1.71 0.00 0.00 55.69 53.56 2jpi s MET 57 Cb -0.10 -2.12 -0.01 0.00 2.01 0.00 0.00 34.83 34.61 2jpi s MET 57 CO 0.03 -0.47 -0.22 0.42 -0.01 0.00 0.00 175.02 174.77 2jpi s ILE 58 N 1.60 1.78 0.05 2.53 1.01 -1.11 -1.47 121.20 125.60 2jpi s ILE 58 Ca -0.00 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.78 2jpi s ILE 58 Cb -0.16 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 2jpi s ILE 58 CO -0.08 0.50 -0.23 -1.48 0.00 0.00 0.00 174.94 173.66 2jpi s LEU 59 N -0.36 2.18 -0.31 2.97 -0.00 -1.23 -0.88 118.68 121.05 2jpi s LEU 59 Ca 0.04 -0.56 0.03 0.00 -0.00 0.00 0.00 54.13 53.64 2jpi s LEU 59 Cb -0.10 -1.09 0.09 0.00 -0.00 0.00 0.00 46.19 45.09 2jpi s LEU 59 CO 0.01 0.19 0.01 0.21 -0.00 0.00 0.00 176.35 176.76 2jpi s ASN 60 N -1.28 4.60 -0.06 1.48 3.04 -0.93 -4.07 114.94 117.72 2jpi s ASN 60 Ca 0.09 -1.89 -0.04 0.00 0.04 0.00 0.00 52.86 51.06 2jpi s ASN 60 Cb -0.09 -1.54 0.03 0.00 -1.54 0.00 0.00 41.25 38.10 2jpi s ASN 60 CO 0.02 -0.33 0.14 -0.44 -3.04 0.00 0.00 177.10 173.46 2jpi s SER 61 N 1.01 -0.13 0.00 -4.21 0.01 -1.21 0.13 113.70 109.30 2jpi s SER 61 Ca 0.05 0.29 0.13 0.00 1.31 0.00 0.00 55.95 57.73 2jpi s SER 61 Cb -0.19 0.24 0.62 0.00 0.21 0.00 0.00 66.02 66.90 2jpi s SER 61 CO -0.08 -0.09 1.35 -0.81 0.41 0.00 0.00 173.24 174.01 2jpi n PRO 62 N 3.56 0.13 -3.88 12.44 -0.04 -1.26 -0.97 135.00 144.98 2jpi n PRO 62 Ca -0.19 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 2jpi n PRO 62 Cb 0.56 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.69 0.02 0.20 3.54 -4.77 -1.26 -4.37 116.67 107.34 2jpi s ASP 63 Ca 0.10 -0.12 -0.10 0.00 -3.30 0.00 0.00 52.55 49.13 2jpi s ASP 63 Cb 0.08 0.19 0.17 0.00 -1.09 0.00 0.00 42.92 42.27 2jpi s ASP 63 CO 0.20 -0.24 1.86 -0.33 0.70 0.00 0.00 175.17 177.36 2jpi h GLU 64 N 4.95 0.86 -0.45 2.11 3.07 -1.97 0.82 114.58 123.98 2jpi h GLU 64 Ca -0.29 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 58.60 2jpi h GLU 64 Cb 1.20 -0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 28.82 2jpi h GLU 64 CO 0.42 0.57 -0.33 0.22 -1.40 0.00 0.00 179.01 178.49 2jpi h ASP 65 N 0.89 -1.09 0.64 1.42 1.82 -1.97 1.35 116.42 119.47 2jpi h ASP 65 Ca 0.27 0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 57.08 2jpi h ASP 65 Cb -0.03 0.52 0.01 0.00 0.68 0.00 0.00 39.33 40.51 2jpi h ASP 65 CO -0.09 -0.31 -0.31 -1.28 -1.61 0.00 0.00 179.24 175.64 2jpi h SER 66 N -0.23 -0.73 -0.94 2.28 0.87 -1.82 0.76 113.55 113.74 2jpi h SER 66 Ca 0.19 0.01 0.09 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 62.57 2jpi h SER 66 CO -0.57 -0.48 -0.57 0.25 -0.53 0.00 0.00 176.83 174.93 2jpi h LEU 67 N -0.92 -2.07 -0.82 2.23 6.46 0.22 0.28 115.31 120.69 2jpi h LEU 67 Ca -0.09 0.31 -0.10 0.00 -0.12 0.00 0.00 57.88 57.89 2jpi h LEU 67 Cb 0.68 0.92 -0.02 0.00 -0.73 0.00 0.00 40.66 41.51 2jpi h LEU 67 CO 0.14 -0.23 -0.15 0.00 -0.62 0.00 0.00 178.44 177.59 2jpi h ALA 68 N 0.42 1.00 -0.92 1.25 0.00 0.17 -1.29 119.26 119.90 2jpi h ALA 68 Ca 0.15 -0.33 0.14 0.00 0.00 0.00 0.00 54.91 54.87 2jpi h ALA 68 Cb 0.40 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2jpi h ALA 68 CO -0.89 0.59 0.59 1.25 0.00 0.00 0.00 179.25 180.79 2jpi h HIS 69 N 0.65 0.90 0.03 0.00 -0.00 0.19 0.16 115.15 117.08 2jpi h HIS 69 Ca 0.11 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2jpi h HIS 69 Cb 0.62 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 2jpi h HIS 69 CO 0.03 0.34 -0.01 0.52 -0.00 0.00 0.00 177.93 178.80 2jpi h MET 70 N 0.77 -0.03 -0.51 5.26 2.86 -0.21 -2.30 114.93 120.77 2jpi h MET 70 Ca 0.46 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.25 2jpi h MET 70 Cb 0.66 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 2jpi h MET 70 CO -0.22 0.20 0.42 -0.56 1.06 0.00 0.00 176.91 177.81 2jpi h GLN 71 N -1.00 0.00 0.15 1.72 3.07 -1.08 -1.49 115.11 116.48 2jpi h GLN 71 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.49 2jpi h GLN 71 Cb 0.25 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.83 2jpi h GLN 71 CO 0.01 0.00 -1.13 -0.97 0.09 0.00 0.00 178.83 176.82 2jpi h ASN 72 N 0.00 0.50 -0.85 0.06 -0.73 -0.80 -3.20 115.58 110.56 2jpi h ASN 72 Ca 0.24 -0.92 0.21 0.00 1.87 0.00 0.00 56.30 57.71 2jpi h ASN 72 Cb 1.07 -0.16 -0.15 0.00 0.27 0.00 0.00 38.32 39.35 2jpi h ASN 72 CO -0.00 1.53 0.07 0.58 -0.37 0.00 0.00 177.43 179.23 2jpi h VAL 73 N -0.26 0.25 -0.23 2.57 2.07 -0.66 0.16 116.25 120.15 2jpi h VAL 73 Ca -0.22 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 2jpi h VAL 73 Cb 1.77 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2jpi h VAL 73 CO 0.14 0.02 -0.09 0.58 0.02 0.00 0.00 177.57 178.24 2jpi h VAL 74 N 0.11 1.30 -0.54 2.57 2.07 -1.66 -2.62 116.25 117.47 2jpi h VAL 74 Ca 0.49 -1.14 0.16 0.00 0.82 0.00 0.00 66.70 67.03 2jpi h VAL 74 Cb 0.94 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2jpi h VAL 74 CO -0.73 0.35 0.63 0.00 0.02 0.00 0.00 177.57 177.84 2jpi h ALA 75 N 0.72 2.28 0.14 1.67 0.00 -0.72 0.54 119.26 123.90 2jpi h ALA 75 Ca 0.05 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 2jpi h ALA 75 Cb 0.58 0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.44 2jpi h ALA 75 CO 0.03 -0.91 -1.29 0.22 0.00 0.00 0.00 179.25 177.30 2jpi h ASP 76 N 0.00 0.87 -0.45 0.00 1.82 -0.92 -3.27 116.42 114.48 2jpi h ASP 76 Ca 0.26 -0.83 -0.04 0.00 -0.39 0.00 0.00 57.03 56.03 2jpi h ASP 76 Cb 1.51 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 41.22 2jpi h ASP 76 CO -0.00 1.63 0.12 0.45 -1.61 0.00 0.00 179.24 179.83 2jpi h HIS 77 N 0.26 0.74 -0.06 0.28 3.86 0.16 -2.32 115.15 118.07 2jpi h HIS 77 Ca -0.20 -0.08 0.02 0.00 -1.16 0.00 0.00 60.37 58.94 2jpi h HIS 77 Cb 1.96 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 30.22 2jpi h HIS 77 CO 0.12 0.68 0.06 -0.07 0.86 0.00 0.00 177.93 179.58 2jpi h LEU 78 N 0.59 0.00 -0.04 2.43 3.38 -1.50 -2.24 115.31 117.93 2jpi h LEU 78 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2jpi h LEU 78 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2jpi h LEU 78 CO -0.00 0.00 -0.09 1.56 0.09 0.00 0.00 178.44 180.00 2jpi h GLN 79 N 0.00 0.13 -0.85 1.13 4.20 -1.47 -1.82 115.11 116.43 2jpi h GLN 79 Ca 0.03 -0.09 0.08 0.00 0.06 0.00 0.00 58.65 58.73 2jpi h GLN 79 Cb 0.16 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 2jpi h GLN 79 CO -0.00 0.69 0.55 0.00 -0.67 0.00 0.00 178.83 179.40 2jpi h ARG 80 N -0.42 0.87 0.00 1.46 3.08 -1.24 0.87 114.38 119.00 2jpi h ARG 80 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2jpi h ARG 80 Cb 0.69 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2jpi h ARG 80 CO 0.02 0.57 -0.10 0.00 -1.07 0.00 0.00 179.97 179.39 2jpi n MET 81 N -4.50 0.07 -3.89 0.04 0.00 -1.04 -4.62 117.12 103.19 2jpi n MET 81 Ca 0.13 0.05 -0.30 0.00 0.00 0.00 0.00 57.70 57.58 2jpi n MET 81 Cb 0.25 -1.57 -0.15 0.00 0.00 0.00 0.00 33.22 31.74 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 -3.03 1.88 -0.48 3.17 0.00 0.30 -5.09 121.76 118.51 2jpi s ALA 82 Ca 0.12 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 2jpi s ALA 82 Cb 0.17 -1.51 0.10 0.00 0.00 0.00 0.00 23.12 21.88 2jpi s ALA 82 CO 0.58 -1.34 0.40 1.21 0.00 0.00 0.00 175.76 176.60 2jpi s ASN 83 N 1.43 6.02 0.00 0.00 3.84 -1.25 -4.48 114.94 120.49 2jpi s ASN 83 Ca -0.00 -1.58 0.00 0.00 0.21 0.00 0.00 52.86 51.49 2jpi s ASN 83 Cb -0.18 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 2jpi s ASN 83 CO -0.10 -0.70 0.00 -1.54 -2.79 0.00 0.00 177.10 171.96 2jpi n SER 84 N 5.13 0.00 -3.65 -4.21 3.41 -1.26 -5.15 113.62 107.89 2jpi n SER 84 Ca -0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.39 2jpi n SER 84 Cb 0.42 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.30 -0.95 4.33 1.03 -1.26 -5.05 118.70 118.09 2jpi s GLU 85 Ca 0.00 -0.75 -0.20 0.00 0.03 0.00 0.00 54.97 54.05 2jpi s GLU 85 Cb 0.00 0.53 -0.11 0.00 -0.80 0.00 0.00 34.13 33.75 2jpi s GLU 85 CO 0.00 -0.55 1.99 -1.13 -1.33 0.00 0.00 175.26 174.24 2jpi n SER 86 N -0.32 2.90 -0.51 0.83 3.41 -1.26 -4.73 113.62 113.93 2jpi n SER 86 Ca -0.13 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 2jpi n SER 86 Cb 0.63 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 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 7.64 -0.39 -4.55 1.04 7.99 -1.26 -4.65 117.00 122.82 2jpi n LEU 87 Ca 0.50 0.21 -0.37 0.00 -0.01 0.00 0.00 56.01 56.33 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 0.98 -0.43 1.49 -0.70 -1.51 0.00 0.00 177.39 177.23 2jpi s GLU 88 N 0.00 2.75 -0.07 3.23 2.12 -1.26 -4.93 118.70 120.54 2jpi s GLU 88 Ca 0.00 0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.63 2jpi s GLU 88 Cb 0.00 -4.47 0.02 0.00 0.26 0.00 0.00 34.13 29.93 2jpi s GLU 88 CO 0.00 -2.70 -0.10 0.96 -0.54 0.00 0.00 175.26 172.88 2jpi s ILE 89 N 8.50 1.01 -0.41 -3.70 -0.00 -1.26 -4.77 121.20 120.57 2jpi s ILE 89 Ca 0.61 -0.38 -0.16 0.00 -0.00 0.00 0.00 60.65 60.72 2jpi s ILE 89 Cb -0.11 -0.96 0.02 0.00 -0.00 0.00 0.00 42.46 41.41 2jpi s ILE 89 CO 0.16 0.34 0.35 0.00 -0.00 0.00 0.00 174.94 175.79 2jpi s ALA 90 N 0.89 3.46 -0.10 2.27 0.00 -1.26 -5.02 121.76 122.00 2jpi s ALA 90 Ca -0.11 -1.59 -0.16 0.00 0.00 0.00 0.00 51.96 50.11 2jpi s ALA 90 Cb -0.15 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 2jpi s ALA 90 CO 0.01 -1.46 0.39 1.67 0.00 0.00 0.00 175.76 176.37 2jpi s TRP 91 N 1.88 3.55 0.32 0.00 1.48 -1.26 -3.87 118.94 121.04 2jpi s TRP 91 Ca 0.08 0.81 -0.09 0.00 -1.06 0.00 0.00 56.10 55.84 2jpi s TRP 91 Cb -0.18 -2.40 -0.06 0.00 -1.16 0.00 0.00 33.47 29.67 2jpi s TRP 91 CO 0.12 0.32 0.65 -0.65 -4.06 0.00 0.00 176.95 173.33 2jpi s GLN 92 N 0.10 3.75 0.36 3.25 -0.21 -1.24 -4.97 119.66 120.69 2jpi s GLN 92 Ca 0.22 0.28 0.14 0.00 0.02 0.00 0.00 55.36 56.02 2jpi s GLN 92 Cb -0.15 -2.54 1.02 0.00 1.00 0.00 0.00 33.01 32.35 2jpi s GLN 92 CO 0.09 0.14 1.73 -1.35 -2.12 0.00 0.00 175.29 173.77 2jpi h PRO 93 N 1.74 0.44 -0.08 2.91 0.11 -1.95 -3.41 132.00 131.76 2jpi h PRO 93 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jpi h PRO 93 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jpi h PRO 93 CO 0.66 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 2jpi n ALA 94 N -2.38 0.00 -2.77 -0.75 0.00 -1.26 -4.82 120.51 108.54 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 0.87 -0.08 -0.13 0.00 0.00 0.00 0.00 19.45 20.12 2jpi n ALA 94 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jpi s GLU 95 N -1.10 0.63 0.00 0.00 2.02 -1.23 -1.79 118.70 117.23 2jpi s GLU 95 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.34 2jpi s GLU 95 Cb 0.00 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.70 2jpi s GLU 95 CO 0.00 0.12 0.14 0.43 0.02 0.00 0.00 175.26 175.97