#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpc n ASN 2 N 0.00 2.82 -4.04 1.67 2.04 -1.24 -1.06 115.26 115.45 1jpc n ASN 2 Ca 0.00 -1.87 -0.22 0.00 -0.44 0.00 0.00 54.58 52.04 1jpc n ASN 2 Cb 0.00 -0.20 -0.16 0.00 -2.53 0.00 0.00 39.78 36.90 1jpc n ASN 2 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1jpc s ILE 3 N -1.03 0.99 -0.26 1.53 1.01 -1.26 -1.20 121.20 120.99 1jpc s ILE 3 Ca 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1jpc s ILE 3 Cb 0.13 -0.87 0.04 0.00 0.01 0.00 0.00 42.46 41.78 1jpc s ILE 3 CO 0.18 0.30 -0.08 -0.22 0.00 0.00 0.00 174.94 175.12 1jpc s LEU 4 N 0.14 3.30 0.39 2.97 2.96 -0.23 -4.98 118.68 123.23 1jpc s LEU 4 Ca -0.03 -1.10 -0.14 0.00 -0.22 0.00 0.00 54.13 52.64 1jpc s LEU 4 Cb -0.09 -1.62 -0.08 0.00 0.50 0.00 0.00 46.19 44.90 1jpc s LEU 4 CO 0.01 -0.16 0.81 -0.31 -1.32 0.00 0.00 176.35 175.38 1jpc s TYR 5 N 1.23 3.41 0.30 5.38 1.51 -1.26 -0.82 117.35 127.11 1jpc s TYR 5 Ca -0.03 1.23 -0.30 0.00 -1.01 0.00 0.00 57.07 56.96 1jpc s TYR 5 Cb -0.18 -2.57 -0.11 0.00 -0.11 0.00 0.00 41.96 38.99 1jpc s TYR 5 CO -0.05 -0.07 1.54 -1.54 -1.11 0.00 0.00 175.55 174.32 1jpc s SER 6 N -2.72 6.42 0.00 2.29 1.04 0.23 -1.41 113.70 119.55 1jpc s SER 6 Ca 0.55 2.92 0.00 0.00 0.48 0.00 0.00 55.95 59.89 1jpc s SER 6 Cb -0.10 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1jpc s SER 6 CO 0.24 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1jpc n GLY 7 N 1.80 0.36 3.75 7.32 0.00 0.62 -4.90 105.19 114.14 1jpc n GLY 7 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1jpc n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jpc s GLU 8 N -0.88 2.63 0.01 1.61 2.02 -0.50 -5.00 118.70 118.60 1jpc s GLU 8 Ca 0.00 -1.23 0.02 0.00 0.02 0.00 0.00 54.97 53.78 1jpc s GLU 8 Cb 0.00 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 1jpc s GLU 8 CO 0.00 0.37 -0.06 0.95 0.02 0.00 0.00 175.26 176.53 1jpc s THR 9 N -2.23 0.46 -0.34 3.63 -4.23 -1.26 -2.22 115.64 109.45 1jpc s THR 9 Ca 0.33 -0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 60.20 1jpc s THR 9 Cb -0.07 -0.44 0.02 0.00 1.34 0.00 0.00 72.50 73.34 1jpc s THR 9 CO 0.23 -0.07 0.16 -0.76 -0.54 0.00 0.00 174.62 173.64 1jpc s LEU 10 N -0.66 4.41 1.13 4.79 1.43 0.34 -4.93 118.68 125.18 1jpc s LEU 10 Ca -0.02 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 52.04 1jpc s LEU 10 Cb -0.05 -1.98 0.25 0.00 0.03 0.00 0.00 46.19 44.44 1jpc s LEU 10 CO 0.00 -0.31 1.13 -0.44 0.23 0.00 0.00 176.35 176.96 1jpc s SER 11 N 1.54 1.58 0.24 2.29 0.01 -1.26 -0.65 113.70 117.45 1jpc s SER 11 Ca 0.02 0.71 -0.31 0.00 1.31 0.00 0.00 55.95 57.68 1jpc s SER 11 Cb -0.18 -1.04 -0.13 0.00 0.21 0.00 0.00 66.02 64.88 1jpc s SER 11 CO 0.06 -3.73 1.52 0.41 0.41 0.00 0.00 173.24 171.91 1jpc n THR 12 N -4.51 0.78 0.00 1.44 -1.04 -1.21 -1.37 114.28 108.38 1jpc n THR 12 Ca 0.11 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1jpc n THR 12 Cb 0.59 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 1jpc n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jpc n GLY 13 N 2.46 2.64 3.90 3.41 0.00 0.61 -4.97 105.19 113.22 1jpc n GLY 13 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1jpc n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jpc s GLU 14 N -0.15 3.28 0.30 1.61 2.02 -0.47 -4.86 118.70 120.42 1jpc s GLU 14 Ca 0.00 0.32 -0.19 0.00 0.02 0.00 0.00 54.97 55.11 1jpc s GLU 14 Cb 0.00 -2.22 0.02 0.00 0.10 0.00 0.00 34.13 32.03 1jpc s GLU 14 CO 0.00 -0.56 0.71 -0.59 0.02 0.00 0.00 175.26 174.84 1jpc s PHE 15 N -3.01 -0.08 0.03 1.61 -0.12 -1.26 -2.00 117.98 113.15 1jpc s PHE 15 Ca 0.53 -0.41 0.04 0.00 -0.05 0.00 0.00 56.93 57.04 1jpc s PHE 15 Cb -0.11 0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 1jpc s PHE 15 CO 0.48 -1.28 -0.07 -0.51 -0.05 0.00 0.00 175.22 173.79 1jpc s LEU 16 N -2.96 3.17 0.02 -1.99 1.43 -0.36 -4.63 118.68 113.36 1jpc s LEU 16 Ca 0.13 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 52.94 1jpc s LEU 16 Cb -0.05 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1jpc s LEU 16 CO 0.08 0.25 0.18 0.54 0.23 0.00 0.00 176.35 177.63 1jpc s ASN 17 N -1.67 0.01 -0.30 2.29 4.22 -0.22 -1.20 114.94 118.07 1jpc s ASN 17 Ca 0.19 -0.25 -0.08 0.00 -2.14 0.00 0.00 52.86 50.58 1jpc s ASN 17 Cb -0.11 0.25 0.14 0.00 1.28 0.00 0.00 41.25 42.81 1jpc s ASN 17 CO 0.10 -0.46 0.64 -0.47 -2.04 0.00 0.00 177.10 174.87 1jpc s TYR 18 N -1.87 -1.38 0.00 1.54 5.04 -0.62 -3.71 117.35 116.34 1jpc s TYR 18 Ca -0.11 2.22 0.00 0.00 -2.44 0.00 0.00 57.07 56.74 1jpc s TYR 18 Cb -0.05 0.76 0.00 0.00 0.35 0.00 0.00 41.96 43.02 1jpc s TYR 18 CO -0.00 -0.70 0.00 0.41 -1.34 0.00 0.00 175.55 173.91 1jpc n GLY 19 N 5.45 3.72 0.78 8.97 0.00 -1.26 -0.84 105.19 122.01 1jpc n GLY 19 Ca -0.10 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1jpc n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jpc n SER 20 N 5.93 2.32 -4.74 1.61 3.41 -1.26 -4.90 113.62 115.98 1jpc n SER 20 Ca 0.00 -1.85 -0.37 0.00 -0.26 0.00 0.00 58.87 56.39 1jpc n SER 20 Cb 0.00 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 1jpc n SER 20 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1jpc s PHE 21 N -1.63 3.50 -0.09 7.33 0.08 -0.02 -0.73 117.98 126.43 1jpc s PHE 21 Ca 0.34 0.67 -0.00 0.00 0.12 0.00 0.00 56.93 58.05 1jpc s PHE 21 Cb 0.19 -2.34 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1jpc s PHE 21 CO 0.27 0.29 -0.05 0.08 -0.10 0.00 0.00 175.22 175.71 1jpc s VAL 22 N 0.27 0.75 -0.43 -0.44 1.01 -0.49 -1.60 120.40 119.47 1jpc s VAL 22 Ca 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 1jpc s VAL 22 Cb -0.14 -0.81 0.10 0.00 0.00 0.00 0.00 36.38 35.53 1jpc s VAL 22 CO 0.06 0.31 0.27 0.12 0.00 0.00 0.00 175.10 175.86 1jpc s PHE 23 N 1.66 3.40 -0.02 5.22 5.36 -0.34 -0.04 117.98 133.22 1jpc s PHE 23 Ca 0.02 -1.80 0.07 0.00 -0.96 0.00 0.00 56.93 54.26 1jpc s PHE 23 Cb -0.13 -3.14 -0.02 0.00 -0.34 0.00 0.00 43.02 39.39 1jpc s PHE 23 CO -0.06 -0.91 -0.22 -1.50 -1.46 0.00 0.00 175.22 171.07 1jpc s ILE 24 N 1.35 2.42 -0.79 3.12 2.07 -0.25 -1.22 121.20 127.89 1jpc s ILE 24 Ca 0.04 -1.00 -0.20 0.00 -1.41 0.00 0.00 60.65 58.09 1jpc s ILE 24 Cb -0.24 -1.89 0.11 0.00 0.13 0.00 0.00 42.46 40.57 1jpc s ILE 24 CO -0.00 0.56 1.00 -0.32 -1.91 0.00 0.00 174.94 174.28 1jpc s MET 25 N -0.71 3.36 0.74 3.50 -2.45 -0.85 -1.84 119.30 121.05 1jpc s MET 25 Ca 0.11 -1.42 -0.11 0.00 -1.25 0.00 0.00 55.69 53.01 1jpc s MET 25 Cb -0.10 -4.59 0.04 0.00 1.25 0.00 0.00 34.83 31.43 1jpc s MET 25 CO -0.00 -1.74 1.08 -0.65 1.05 0.00 0.00 175.02 174.76 1jpc s GLN 26 N 3.05 2.50 0.56 4.11 -0.21 -0.65 -0.29 119.66 128.72 1jpc s GLN 26 Ca 0.26 1.12 0.34 0.00 0.02 0.00 0.00 55.36 57.10 1jpc s GLN 26 Cb -0.12 -1.93 1.42 0.00 1.00 0.00 0.00 33.01 33.39 1jpc s GLN 26 CO -0.01 -1.45 2.01 1.49 -2.12 0.00 0.00 175.29 175.20 1jpc h GLU 27 N -0.92 0.00 -0.72 2.91 4.81 -1.93 -1.86 114.58 116.87 1jpc h GLU 27 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1jpc h GLU 27 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1jpc h GLU 27 CO 0.53 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.41 1jpc n ASP 28 N -3.09 2.93 -0.28 1.04 5.75 -1.26 -2.09 116.55 119.54 1jpc n ASP 28 Ca 0.00 -2.35 -0.04 0.00 -0.01 0.00 0.00 54.79 52.40 1jpc n ASP 28 Cb 0.29 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 1jpc n ASP 28 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jpc s ASN 30 N -2.22 6.56 -0.38 0.00 2.47 -1.26 -4.40 114.94 115.72 1jpc s ASN 30 Ca 0.00 0.66 -0.15 0.00 0.42 0.00 0.00 52.86 53.79 1jpc s ASN 30 Cb 0.00 -2.23 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 1jpc s ASN 30 CO 0.00 0.07 0.35 -0.22 -3.72 0.00 0.00 177.10 173.59 1jpc s LEU 31 N 0.42 4.70 -0.01 3.21 2.96 -1.26 -1.64 118.68 127.07 1jpc s LEU 31 Ca 0.21 -0.52 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 1jpc s LEU 31 Cb -0.14 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 1jpc s LEU 31 CO 0.07 -0.41 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.79 1jpc s VAL 32 N 1.94 1.62 -0.27 1.68 1.01 -0.77 -1.97 120.40 123.64 1jpc s VAL 32 Ca 0.10 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1jpc s VAL 32 Cb -0.17 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1jpc s VAL 32 CO 0.12 0.43 0.15 -0.22 0.00 0.00 0.00 175.10 175.58 1jpc s LEU 33 N -0.55 3.83 -0.01 3.92 2.96 0.25 -1.09 118.68 128.00 1jpc s LEU 33 Ca 0.08 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1jpc s LEU 33 Cb -0.08 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1jpc s LEU 33 CO -0.01 -0.04 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.56 1jpc s TYR 34 N 1.70 2.77 -0.49 5.38 2.02 0.94 0.05 117.35 129.71 1jpc s TYR 34 Ca 0.07 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 1jpc s TYR 34 Cb -0.16 -1.59 0.13 0.00 -0.40 0.00 0.00 41.96 39.94 1jpc s TYR 34 CO 0.08 0.30 0.27 0.34 -1.57 0.00 0.00 175.55 174.97 1jpc s ASP 35 N -1.21 4.93 1.62 2.29 -1.08 -0.16 -1.39 116.67 121.67 1jpc s ASP 35 Ca 0.15 -2.56 0.00 0.00 -0.52 0.00 0.00 52.55 49.61 1jpc s ASP 35 Cb -0.11 -1.75 0.00 0.00 -1.46 0.00 0.00 42.92 39.60 1jpc s ASP 35 CO 0.05 -0.38 0.00 0.52 0.52 0.00 0.00 175.17 175.88 1jpc n VAL 36 N 3.81 0.00 0.92 1.11 0.31 0.10 -2.02 118.33 122.55 1jpc n VAL 36 Ca 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.48 1jpc n VAL 36 Cb 0.38 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.37 1jpc n VAL 36 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1jpc n ASP 37 N 10.28 2.52 -4.70 4.52 5.75 -1.26 -4.92 116.55 128.74 1jpc n ASP 37 Ca 0.00 -1.76 -0.38 0.00 -0.01 0.00 0.00 54.79 52.64 1jpc n ASP 37 Cb 0.00 0.16 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 1jpc n ASP 37 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1jpc s LYS 38 N -2.00 4.27 -0.08 0.11 2.20 -0.86 -5.04 119.74 118.35 1jpc s LYS 38 Ca 0.23 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.90 1jpc s LYS 38 Cb 0.18 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1jpc s LYS 38 CO 0.36 0.06 1.28 -2.14 -0.36 0.00 0.00 175.35 174.54 1jpc s PRO 39 N 0.97 4.29 -0.17 4.03 0.02 -1.26 -0.99 135.00 141.89 1jpc s PRO 39 Ca 0.23 1.74 0.15 0.00 0.02 0.00 0.00 61.00 63.15 1jpc s PRO 39 Cb -0.15 -3.65 -0.24 0.00 0.02 0.00 0.00 34.50 30.48 1jpc s PRO 39 CO 0.09 -0.57 0.18 -0.89 -0.33 0.00 0.00 177.00 175.48 1jpc n ILE 40 N 4.91 1.45 -3.56 2.83 2.08 0.11 -4.94 119.36 122.24 1jpc n ILE 40 Ca 0.13 -0.83 -0.17 0.00 0.56 0.00 0.00 62.75 62.44 1jpc n ILE 40 Cb 0.45 -0.66 -0.06 0.00 -0.75 0.00 0.00 39.64 38.62 1jpc n ILE 40 CO 0.00 0.00 0.00 0.86 0.56 0.00 0.00 176.55 177.97 1jpc s TRP 41 N -2.52 -0.59 0.12 1.39 -0.00 -1.16 -4.99 118.94 111.18 1jpc s TRP 41 Ca -0.11 1.01 -0.20 0.00 -0.00 0.00 0.00 56.10 56.80 1jpc s TRP 41 Cb 0.07 0.36 0.05 0.00 -0.00 0.00 0.00 33.47 33.95 1jpc s TRP 41 CO 0.81 -0.58 0.50 0.00 -0.00 0.00 0.00 176.95 177.69 1jpc s ALA 42 N -1.20 -1.26 -0.74 5.86 0.00 -1.26 -0.58 121.76 122.58 1jpc s ALA 42 Ca -0.11 0.30 0.26 0.00 0.00 0.00 0.00 51.96 52.40 1jpc s ALA 42 Cb -0.01 0.68 0.71 0.00 0.00 0.00 0.00 23.12 24.51 1jpc s ALA 42 CO 0.09 -0.65 1.66 0.25 0.00 0.00 0.00 175.76 177.10 1jpc n THR 43 N -0.12 0.46 -3.55 0.00 -2.24 -0.83 -4.95 114.28 103.05 1jpc n THR 43 Ca -0.17 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.15 1jpc n THR 43 Cb 0.63 -0.43 0.08 0.00 -2.10 0.00 0.00 70.33 68.51 1jpc n THR 43 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jpc n ASN 44 N -2.14 -4.52 -0.42 3.42 3.02 -1.26 -4.92 115.26 108.44 1jpc n ASN 44 Ca 0.05 -0.59 0.07 0.00 -0.03 0.00 0.00 54.58 54.09 1jpc n ASN 44 Cb 0.42 -5.01 0.18 0.00 -0.61 0.00 0.00 39.78 34.77 1jpc n ASN 44 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1jpc n THR 45 N -4.64 2.09 -2.24 3.41 -2.24 -1.26 -5.04 114.28 104.35 1jpc n THR 45 Ca -0.11 -2.63 -0.42 0.00 -2.27 0.00 0.00 64.05 58.62 1jpc n THR 45 Cb 0.60 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1jpc n THR 45 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jpc s GLY 46 N -2.90 2.36 0.00 3.38 0.00 -1.25 -2.79 107.32 106.11 1jpc s GLY 46 Ca 0.36 1.07 0.00 0.00 0.00 0.00 0.00 44.72 46.15 1jpc s GLY 46 CO -0.00 2.11 0.00 0.61 0.00 0.00 0.00 173.10 175.81 1jpc n GLY 47 N 2.69 3.20 0.09 0.20 0.00 -0.13 -4.89 105.19 106.34 1jpc n GLY 47 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1jpc n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jpc n LEU 48 N 0.00 0.43 0.00 0.99 4.77 -1.12 -4.89 117.00 117.19 1jpc n LEU 48 Ca 0.00 0.62 0.01 0.00 -0.03 0.00 0.00 56.01 56.60 1jpc n LEU 48 Cb 0.00 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.53 1jpc n LEU 48 CO 0.00 -0.49 0.65 -1.20 -1.33 0.00 0.00 177.39 175.02 1jpc n SER 49 N -1.99 -0.86 -4.13 -1.43 7.64 -1.26 -5.12 113.62 106.47 1jpc n SER 49 Ca 0.02 -1.27 -0.17 0.00 1.01 0.00 0.00 58.87 58.46 1jpc n SER 49 Cb 0.19 1.35 -0.12 0.00 -1.01 0.00 0.00 64.21 64.61 1jpc n SER 49 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1jpc s ARG 50 N -2.02 0.76 -1.27 1.43 1.81 -1.26 -4.13 118.95 114.28 1jpc s ARG 50 Ca 0.18 -0.81 -0.01 0.00 -1.72 0.00 0.00 55.73 53.37 1jpc s ARG 50 Cb -0.01 -0.71 -0.00 0.00 -0.45 0.00 0.00 34.95 33.78 1jpc s ARG 50 CO 0.01 0.16 0.78 0.43 -0.68 0.00 0.00 175.30 176.00 1jpc n SER 51 N 1.58 -1.66 -4.87 0.23 7.64 -0.89 -4.36 113.62 111.29 1jpc n SER 51 Ca -0.20 -0.77 -0.30 0.00 1.01 0.00 0.00 58.87 58.60 1jpc n SER 51 Cb 0.55 -4.35 0.03 0.00 -1.01 0.00 0.00 64.21 59.43 1jpc n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jpc s PHE 53 N -3.28 1.16 -0.18 0.00 -0.12 -0.43 -3.29 117.98 111.83 1jpc s PHE 53 Ca 0.57 -0.52 -0.07 0.00 -0.05 0.00 0.00 56.93 56.86 1jpc s PHE 53 Cb -0.11 -0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 41.60 1jpc s PHE 53 CO 0.53 0.05 0.06 -1.17 -0.05 0.00 0.00 175.22 174.63 1jpc s LEU 54 N -1.99 3.80 -0.12 -1.99 2.96 0.17 -1.15 118.68 120.36 1jpc s LEU 54 Ca 0.01 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1jpc s LEU 54 Cb -0.08 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.66 1jpc s LEU 54 CO 0.02 0.17 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.46 1jpc s SER 55 N 0.42 2.89 -0.54 3.68 0.15 -0.16 -0.51 113.70 119.64 1jpc s SER 55 Ca 0.03 -0.54 -0.16 0.00 0.70 0.00 0.00 55.95 55.98 1jpc s SER 55 Cb -0.12 -1.33 0.12 0.00 -1.71 0.00 0.00 66.02 62.98 1jpc s SER 55 CO 0.00 0.07 0.51 -0.32 1.20 0.00 0.00 173.24 174.71 1jpc s MET 56 N 0.80 3.00 0.65 5.44 1.75 -0.94 -1.00 119.30 129.00 1jpc s MET 56 Ca -0.09 -1.63 -0.11 0.00 -1.25 0.00 0.00 55.69 52.61 1jpc s MET 56 Cb -0.16 -4.28 -0.02 0.00 2.84 0.00 0.00 34.83 33.22 1jpc s MET 56 CO -0.00 -1.32 1.06 -0.65 -0.65 0.00 0.00 175.02 173.45 1jpc s GLN 57 N 1.72 3.30 0.01 4.11 -0.21 -0.07 -0.27 119.66 128.23 1jpc s GLN 57 Ca 0.04 0.66 0.17 0.00 0.02 0.00 0.00 55.36 56.25 1jpc s GLN 57 Cb -0.29 -2.05 0.72 0.00 1.00 0.00 0.00 33.01 32.39 1jpc s GLN 57 CO 0.04 -0.77 1.54 0.25 -2.12 0.00 0.00 175.29 174.23 1jpc n THR 58 N -2.86 0.85 -0.01 -0.19 -2.24 -1.26 -1.77 114.28 106.79 1jpc n THR 58 Ca 0.06 0.21 0.09 0.00 -2.27 0.00 0.00 64.05 62.14 1jpc n THR 58 Cb 0.55 -0.93 0.27 0.00 -2.10 0.00 0.00 70.33 68.13 1jpc n THR 58 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1jpc n ASP 59 N -1.52 3.49 -0.01 3.42 5.75 -1.26 -0.90 116.55 125.52 1jpc n ASP 59 Ca 0.04 -2.14 -0.00 0.00 -0.01 0.00 0.00 54.79 52.68 1jpc n ASP 59 Cb 0.20 -0.45 -0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1jpc n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jpc n GLY 60 N 1.27 0.47 3.68 6.12 0.00 -0.73 0.74 105.19 116.75 1jpc n GLY 60 Ca 0.20 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1jpc n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jpc s ASN 61 N -2.20 5.95 -0.36 1.61 2.47 -1.25 -4.15 114.94 117.01 1jpc s ASN 61 Ca 0.00 0.15 -0.16 0.00 0.42 0.00 0.00 52.86 53.27 1jpc s ASN 61 Cb 0.00 -2.04 -0.01 0.00 -1.45 0.00 0.00 41.25 37.76 1jpc s ASN 61 CO 0.00 0.16 0.41 -0.22 -3.72 0.00 0.00 177.10 173.73 1jpc s LEU 62 N 0.47 4.48 -0.04 3.21 2.96 -1.26 -0.90 118.68 127.61 1jpc s LEU 62 Ca 0.06 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1jpc s LEU 62 Cb -0.12 -2.40 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 1jpc s LEU 62 CO -0.00 -0.41 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.78 1jpc s VAL 63 N 2.12 1.27 -0.29 1.68 1.01 -0.17 -1.41 120.40 124.61 1jpc s VAL 63 Ca 0.13 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 1jpc s VAL 63 Cb -0.16 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1jpc s VAL 63 CO 0.12 0.37 0.41 -0.69 0.00 0.00 0.00 175.10 175.32 1jpc s VAL 64 N 0.06 5.14 -0.01 2.92 1.01 -0.25 -0.98 120.40 128.28 1jpc s VAL 64 Ca -0.03 0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.50 1jpc s VAL 64 Cb -0.11 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1jpc s VAL 64 CO 0.02 0.07 -0.07 -0.31 0.00 0.00 0.00 175.10 174.80 1jpc s TYR 65 N 2.14 2.88 0.67 5.22 2.02 -0.30 -0.46 117.35 129.52 1jpc s TYR 65 Ca 0.16 -0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 56.79 1jpc s TYR 65 Cb -0.16 -1.62 0.08 0.00 -0.40 0.00 0.00 41.96 39.86 1jpc s TYR 65 CO 0.10 0.35 0.94 0.54 -1.57 0.00 0.00 175.55 175.92 1jpc s ASN 66 N -1.27 4.75 0.42 2.29 2.20 -0.96 -1.31 114.94 121.05 1jpc s ASN 66 Ca 0.16 0.07 0.16 0.00 -0.94 0.00 0.00 52.86 52.31 1jpc s ASN 66 Cb -0.11 -0.70 1.06 0.00 -2.00 0.00 0.00 41.25 39.50 1jpc s ASN 66 CO 0.06 -1.58 1.90 -0.65 -2.94 0.00 0.00 177.10 173.89 1jpc h PRO 67 N -0.41 0.41 -0.17 3.55 0.11 -1.76 0.82 132.00 134.54 1jpc h PRO 67 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jpc h PRO 67 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1jpc h PRO 67 CO 0.51 0.27 0.00 0.43 -0.21 0.00 0.00 178.00 179.00 1jpc n SER 68 N -4.49 0.17 -2.74 -2.05 7.64 -1.26 -4.85 113.62 106.04 1jpc n SER 68 Ca 0.16 -1.68 -0.21 0.00 1.01 0.00 0.00 58.87 58.15 1jpc n SER 68 Cb 0.59 -0.09 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 1jpc n SER 68 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jpc n ASN 69 N -0.38 -5.65 -4.74 6.43 3.02 0.28 -5.00 115.26 109.22 1jpc n ASN 69 Ca 0.00 -0.14 -0.35 0.00 -0.03 0.00 0.00 54.58 54.06 1jpc n ASN 69 Cb 0.04 -4.65 -0.08 0.00 -0.61 0.00 0.00 39.78 34.49 1jpc n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jpc s LYS 70 N -5.40 3.86 -0.17 3.52 -0.14 -1.26 -4.87 119.74 115.29 1jpc s LYS 70 Ca 0.16 -0.24 -0.29 0.00 -1.36 0.00 0.00 55.97 54.24 1jpc s LYS 70 Cb -0.07 -3.27 -0.03 0.00 -1.68 0.00 0.00 37.83 32.78 1jpc s LYS 70 CO 0.20 0.44 1.56 -1.25 -0.76 0.00 0.00 175.35 175.54 1jpc s PRO 71 N -0.08 3.98 0.02 -1.68 0.04 -1.26 -2.27 135.00 133.75 1jpc s PRO 71 Ca 0.09 1.80 0.04 0.00 0.04 0.00 0.00 61.00 62.97 1jpc s PRO 71 Cb -0.12 -3.97 -0.24 0.00 0.04 0.00 0.00 34.50 30.21 1jpc s PRO 71 CO 0.00 -1.06 0.91 0.82 0.04 0.00 0.00 177.00 177.71 1jpc h ILE 72 N 5.87 1.21 -2.19 0.56 1.08 -1.13 -3.48 117.51 119.43 1jpc h ILE 72 Ca -0.34 -2.94 -0.06 0.00 -0.39 0.00 0.00 64.86 61.13 1jpc h ILE 72 Cb 1.15 2.68 -0.18 0.00 -3.07 0.00 0.00 36.82 37.40 1jpc h ILE 72 CO 0.98 0.77 0.16 0.86 -0.69 0.00 0.00 178.15 180.24 1jpc s TRP 73 N -2.64 -0.61 0.04 1.37 -0.00 -1.22 -5.00 118.94 110.88 1jpc s TRP 73 Ca -0.05 0.97 -0.15 0.00 -0.00 0.00 0.00 56.10 56.87 1jpc s TRP 73 Cb 0.08 0.41 0.03 0.00 -0.00 0.00 0.00 33.47 33.99 1jpc s TRP 73 CO 0.83 -0.63 0.35 0.00 -0.00 0.00 0.00 176.95 177.50 1jpc s ALA 74 N -1.54 -0.81 -0.31 5.86 0.00 -1.26 -1.09 121.76 122.61 1jpc s ALA 74 Ca -0.10 0.15 0.26 0.00 0.00 0.00 0.00 51.96 52.27 1jpc s ALA 74 Cb -0.00 0.31 0.59 0.00 0.00 0.00 0.00 23.12 24.02 1jpc s ALA 74 CO 0.07 -0.42 1.70 0.66 0.00 0.00 0.00 175.76 177.77 1jpc h SER 75 N 3.19 0.00 -5.17 0.00 4.64 -1.62 -3.48 113.55 111.11 1jpc h SER 75 Ca -0.31 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.67 1jpc h SER 75 Cb 1.20 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.41 1jpc h SER 75 CO 0.45 0.00 -0.60 0.59 -0.87 0.00 0.00 176.83 176.40 1jpc n ASN 76 N -3.10 -5.14 -0.31 4.97 3.02 -1.26 -4.91 115.26 108.54 1jpc n ASN 76 Ca 0.03 -0.48 0.06 0.00 -0.03 0.00 0.00 54.58 54.16 1jpc n ASN 76 Cb 0.47 -4.42 0.12 0.00 -0.61 0.00 0.00 39.78 35.34 1jpc n ASN 76 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1jpc n THR 77 N -4.50 1.52 -1.85 3.41 -2.24 -1.26 -5.03 114.28 104.33 1jpc n THR 77 Ca -0.04 -1.56 -0.38 0.00 -2.27 0.00 0.00 64.05 59.81 1jpc n THR 77 Cb 0.57 0.13 0.04 0.00 -2.10 0.00 0.00 70.33 68.97 1jpc n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jpc s GLY 78 N -1.76 2.85 0.00 3.38 0.00 -1.26 -4.28 107.32 106.25 1jpc s GLY 78 Ca 0.22 1.23 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1jpc s GLY 78 CO 0.06 1.71 0.00 0.61 0.00 0.00 0.00 173.10 175.47 1jpc n GLY 79 N 0.71 -0.75 3.76 0.20 0.00 0.23 -4.94 105.19 104.40 1jpc n GLY 79 Ca 0.12 0.65 -0.41 0.00 0.00 0.00 0.00 46.02 46.38 1jpc n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jpc s GLN 80 N 2.47 4.23 -0.04 1.61 0.74 -1.26 -4.83 119.66 122.58 1jpc s GLN 80 Ca 0.00 2.39 -0.25 0.00 0.05 0.00 0.00 55.36 57.55 1jpc s GLN 80 Cb 0.00 -3.05 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 1jpc s GLN 80 CO 0.00 -0.41 0.78 1.21 -0.55 0.00 0.00 175.29 176.32 1jpc s ASN 81 N -0.01 7.11 0.00 6.67 3.84 -1.26 -4.27 114.94 127.01 1jpc s ASN 81 Ca 0.55 1.33 0.00 0.00 0.21 0.00 0.00 52.86 54.95 1jpc s ASN 81 Cb -0.43 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 37.81 1jpc s ASN 81 CO 0.52 -0.15 0.00 0.61 -2.79 0.00 0.00 177.10 175.29 1jpc n GLY 82 N 3.03 1.02 3.46 1.21 0.00 -0.07 -5.01 105.19 108.83 1jpc n GLY 82 Ca 0.01 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1jpc n GLY 82 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jpc s ASN 83 N 2.00 4.60 0.15 1.61 0.01 -1.26 -4.69 114.94 117.36 1jpc s ASN 83 Ca 0.00 -0.18 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 1jpc s ASN 83 Cb 0.00 -1.74 -0.04 0.00 0.41 0.00 0.00 41.25 39.87 1jpc s ASN 83 CO 0.00 0.16 -0.03 -0.31 -1.51 0.00 0.00 177.10 175.41 1jpc s TYR 84 N 0.40 1.15 0.00 2.20 1.51 -1.26 -3.08 117.35 118.27 1jpc s TYR 84 Ca -0.05 -0.94 -0.00 0.00 -1.01 0.00 0.00 57.07 55.06 1jpc s TYR 84 Cb -0.15 -0.65 -0.00 0.00 -0.11 0.00 0.00 41.96 41.05 1jpc s TYR 84 CO 0.03 -0.14 -0.00 0.14 -1.11 0.00 0.00 175.55 174.48 1jpc s VAL 85 N -3.58 0.03 -0.25 0.71 -7.23 -0.74 -0.60 120.40 108.74 1jpc s VAL 85 Ca 0.20 -0.24 -0.04 0.00 -1.81 0.00 0.00 61.98 60.09 1jpc s VAL 85 Cb 0.05 -0.08 0.01 0.00 0.56 0.00 0.00 36.38 36.92 1jpc s VAL 85 CO 0.01 -0.13 -0.02 0.00 -0.31 0.00 0.00 175.10 174.64 1jpc s ILE 87 N 1.42 2.90 -0.59 0.00 1.01 0.94 -1.07 121.20 125.82 1jpc s ILE 87 Ca 0.03 -0.75 -0.19 0.00 0.00 0.00 0.00 60.65 59.74 1jpc s ILE 87 Cb -0.16 -2.16 0.10 0.00 0.01 0.00 0.00 42.46 40.25 1jpc s ILE 87 CO -0.03 0.56 0.71 -0.22 0.00 0.00 0.00 174.94 175.97 1jpc s LEU 88 N -0.16 5.32 0.68 2.97 2.96 -0.34 -0.90 118.68 129.21 1jpc s LEU 88 Ca -0.01 -1.38 -0.11 0.00 -0.22 0.00 0.00 54.13 52.40 1jpc s LEU 88 Cb -0.14 -2.32 -0.00 0.00 0.50 0.00 0.00 46.19 44.24 1jpc s LEU 88 CO 0.03 -1.12 1.06 -1.10 -1.32 0.00 0.00 176.35 173.90 1jpc s GLN 89 N 2.76 3.07 0.61 1.98 -0.21 0.28 -4.85 119.66 123.30 1jpc s GLN 89 Ca 0.12 0.77 0.38 0.00 0.02 0.00 0.00 55.36 56.65 1jpc s GLN 89 Cb -0.24 -2.02 2.00 0.00 1.00 0.00 0.00 33.01 33.76 1jpc s GLN 89 CO 0.07 -0.95 2.24 1.57 -2.12 0.00 0.00 175.29 176.10 1jpc h LYS 90 N -0.60 0.00 -0.56 2.91 2.10 -1.96 -1.07 116.57 117.38 1jpc h LYS 90 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1jpc h LYS 90 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1jpc h LYS 90 CO 0.60 0.02 0.00 -0.40 -2.00 0.00 0.00 179.45 177.67 1jpc n ASP 91 N -3.31 2.78 -0.05 7.07 5.75 -1.26 -4.91 116.55 122.63 1jpc n ASP 91 Ca -0.02 -2.21 -0.01 0.00 -0.01 0.00 0.00 54.79 52.54 1jpc n ASP 91 Cb 0.14 -0.41 -0.00 0.00 -1.03 0.00 0.00 41.12 39.81 1jpc n ASP 91 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1jpc n ARG 92 N 0.55 -0.82 -3.64 0.11 0.63 -0.41 -5.02 116.66 108.07 1jpc n ARG 92 Ca 0.14 0.25 -0.34 0.00 -0.92 0.00 0.00 57.85 56.98 1jpc n ARG 92 Cb 0.52 -3.89 -0.05 0.00 0.45 0.00 0.00 32.46 29.49 1jpc n ARG 92 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1jpc s ASN 93 N -2.06 6.59 -0.26 6.15 3.84 -1.26 -4.88 114.94 123.05 1jpc s ASN 93 Ca 0.00 0.71 -0.06 0.00 0.21 0.00 0.00 52.86 53.72 1jpc s ASN 93 Cb 0.00 -2.15 0.00 0.00 -0.55 0.00 0.00 41.25 38.55 1jpc s ASN 93 CO 0.00 0.19 0.04 -0.69 -2.79 0.00 0.00 177.10 173.84 1jpc s VAL 94 N -1.38 3.77 0.04 -5.21 1.01 -1.26 -0.56 120.40 116.81 1jpc s VAL 94 Ca 0.32 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1jpc s VAL 94 Cb -0.14 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1jpc s VAL 94 CO 0.18 0.21 -0.16 -0.69 0.00 0.00 0.00 175.10 174.65 1jpc s VAL 95 N 1.50 1.25 -0.21 2.92 1.01 -0.08 -4.95 120.40 121.83 1jpc s VAL 95 Ca 0.04 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 1jpc s VAL 95 Cb -0.16 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1jpc s VAL 95 CO 0.01 0.03 0.05 -0.63 0.00 0.00 0.00 175.10 174.56 1jpc s ILE 96 N -0.87 4.41 0.13 2.22 1.01 -1.26 -0.04 121.20 126.79 1jpc s ILE 96 Ca 0.03 -0.15 0.11 0.00 0.00 0.00 0.00 60.65 60.63 1jpc s ILE 96 Cb -0.08 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1jpc s ILE 96 CO 0.02 0.40 -0.27 -0.31 0.00 0.00 0.00 174.94 174.78 1jpc s TYR 97 N 1.02 2.28 0.00 3.97 1.51 -0.29 -4.99 117.35 120.84 1jpc s TYR 97 Ca 0.03 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1jpc s TYR 97 Cb -0.14 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1jpc s TYR 97 CO 0.03 0.33 0.00 0.41 -1.11 0.00 0.00 175.55 175.21 1jpc n GLY 98 N 0.91 2.56 0.74 0.71 0.00 -1.26 -1.79 105.19 107.06 1jpc n GLY 98 Ca -0.18 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 1jpc n GLY 98 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jpc n THR 99 N -0.81 0.00 -2.20 2.61 -2.24 -1.26 -5.07 114.28 105.31 1jpc n THR 99 Ca 0.00 -0.27 -0.40 0.00 -2.27 0.00 0.00 64.05 61.11 1jpc n THR 99 Cb 0.00 -1.43 -0.02 0.00 -2.10 0.00 0.00 70.33 66.78 1jpc n THR 99 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1jpc s ASP 100 N -1.81 6.75 -0.02 3.42 -4.77 -1.18 -4.94 116.67 114.12 1jpc s ASP 100 Ca 0.13 2.55 0.06 0.00 -3.30 0.00 0.00 52.55 51.99 1jpc s ASP 100 Cb -0.01 -2.64 -0.09 0.00 -1.09 0.00 0.00 42.92 39.10 1jpc s ASP 100 CO 0.09 -0.54 0.10 0.54 0.70 0.00 0.00 175.17 176.06 1jpc n ARG 101 N 0.64 0.92 -3.52 2.11 5.12 -1.26 -5.00 116.66 115.67 1jpc n ARG 101 Ca 0.01 -0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.75 1jpc n ARG 101 Cb 0.43 -1.14 -0.05 0.00 -1.16 0.00 0.00 32.46 30.54 1jpc n ARG 101 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1jpc s TRP 102 N -2.34 -0.54 0.03 -1.55 -0.00 -1.26 -5.18 118.94 108.09 1jpc s TRP 102 Ca -0.02 0.80 -0.24 0.00 -0.00 0.00 0.00 56.10 56.63 1jpc s TRP 102 Cb 0.03 0.46 0.06 0.00 -0.00 0.00 0.00 33.47 34.01 1jpc s TRP 102 CO 0.24 -0.58 0.55 0.00 -0.00 0.00 0.00 176.95 177.16 1jpc s ALA 103 N -1.77 -1.41 -0.46 5.86 0.00 -1.26 -5.03 121.76 117.70 1jpc s ALA 103 Ca -0.05 0.73 0.26 0.00 0.00 0.00 0.00 51.96 52.90 1jpc s ALA 103 Cb -0.00 0.31 0.73 0.00 0.00 0.00 0.00 23.12 24.16 1jpc s ALA 103 CO 0.02 -0.48 1.74 1.79 0.00 0.00 0.00 175.76 178.83 1jpc h THR 104 N 2.85 0.00 -1.50 0.00 1.35 -2.05 -3.47 112.91 110.08 1jpc h THR 104 Ca -0.30 -0.66 -0.21 0.00 -0.55 0.00 0.00 66.41 64.69 1jpc h THR 104 Cb 1.20 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 1jpc h THR 104 CO 0.40 0.00 -0.27 0.61 -0.25 0.00 0.00 175.52 176.02 1jpc n GLY 105 N 0.87 -0.05 1.79 5.82 0.00 -1.26 -4.93 105.19 107.43 1jpc n GLY 105 Ca 0.04 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.66 1jpc n GLY 105 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jpc n THR 106 N -4.00 2.75 -2.26 2.61 -2.24 -1.26 -4.99 114.28 104.88 1jpc n THR 106 Ca -0.12 -1.52 -0.41 0.00 -2.27 0.00 0.00 64.05 59.73 1jpc n THR 106 Cb 0.59 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 1jpc n THR 106 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1jpc s HIS 107 N -2.83 3.28 -2.05 4.78 5.04 -1.26 -5.31 115.29 116.94 1jpc s HIS 107 Ca 0.53 1.44 0.32 0.00 -1.54 0.00 0.00 55.06 55.81 1jpc s HIS 107 Cb 0.41 -3.53 1.82 0.00 0.04 0.00 0.00 32.58 31.32 1jpc s HIS 107 CO 0.15 -1.45 2.18 0.25 -2.34 0.00 0.00 174.74 173.52