#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hjp s ILE 2 N 0.00 4.86 -0.16 3.17 1.01 -1.26 -4.90 121.20 123.91 1hjp s ILE 2 Ca 0.00 0.03 0.18 0.00 0.00 0.00 0.00 60.65 60.87 1hjp s ILE 2 Cb 0.00 -4.19 -0.27 0.00 0.01 0.00 0.00 42.46 38.01 1hjp s ILE 2 CO 0.00 -0.59 0.46 0.61 0.00 0.00 0.00 174.94 175.42 1hjp n GLY 3 N 5.05 -0.82 3.46 6.18 0.00 -1.26 -4.30 105.19 113.50 1hjp n GLY 3 Ca -0.02 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1hjp n GLY 3 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hjp s ARG 4 N -3.18 0.69 -0.02 1.61 3.52 -1.26 -1.31 118.95 118.99 1hjp s ARG 4 Ca -0.04 0.71 0.06 0.00 -0.13 0.00 0.00 55.73 56.32 1hjp s ARG 4 Cb 0.12 0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1hjp s ARG 4 CO 0.76 -0.10 -0.21 -0.51 -0.81 0.00 0.00 175.30 174.43 1hjp s LEU 5 N 0.13 2.03 -0.14 -0.88 1.43 -0.57 -4.95 118.68 115.73 1hjp s LEU 5 Ca -0.01 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1hjp s LEU 5 Cb -0.04 -1.11 0.05 0.00 0.03 0.00 0.00 46.19 45.12 1hjp s LEU 5 CO 0.02 0.25 0.02 -0.60 0.23 0.00 0.00 176.35 176.26 1hjp s ARG 6 N -0.43 0.69 0.00 1.70 3.52 -1.26 -1.24 118.95 121.93 1hjp s ARG 6 Ca 0.06 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 1hjp s ARG 6 Cb -0.09 -1.67 0.00 0.00 -1.56 0.00 0.00 34.95 31.63 1hjp s ARG 6 CO -0.00 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 1hjp n GLY 7 N 5.08 1.41 3.69 8.12 0.00 -1.06 -4.75 105.19 117.67 1hjp n GLY 7 Ca -0.08 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1hjp n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hjp s ILE 8 N -2.62 5.09 -0.29 -0.61 -1.09 -0.37 -0.76 121.20 120.55 1hjp s ILE 8 Ca 0.00 1.11 -0.29 0.00 -2.23 0.00 0.00 60.65 59.24 1hjp s ILE 8 Cb 0.00 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1hjp s ILE 8 CO 0.00 0.21 1.48 -0.63 -1.23 0.00 0.00 174.94 174.77 1hjp s ILE 9 N 1.27 3.88 -0.16 2.92 1.01 -0.86 -0.51 121.20 128.75 1hjp s ILE 9 Ca 0.28 0.97 -0.19 0.00 0.00 0.00 0.00 60.65 61.72 1hjp s ILE 9 Cb -0.16 -3.95 -0.16 0.00 0.01 0.00 0.00 42.46 38.21 1hjp s ILE 9 CO 0.11 -0.44 0.31 0.40 0.00 0.00 0.00 174.94 175.32 1hjp h ILE 10 N 6.17 0.93 -3.63 2.92 1.08 -1.05 0.23 117.51 124.16 1hjp h ILE 10 Ca -0.30 -1.86 -0.15 0.00 -0.39 0.00 0.00 64.86 62.16 1hjp h ILE 10 Cb 1.13 1.92 -0.20 0.00 -3.07 0.00 0.00 36.82 36.59 1hjp h ILE 10 CO 1.03 0.31 -0.53 -1.61 -0.69 0.00 0.00 178.15 176.66 1hjp s GLU 11 N -2.16 0.46 -0.14 2.37 2.02 -1.22 -4.77 118.70 115.26 1hjp s GLU 11 Ca -0.19 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.35 1hjp s GLU 11 Cb 0.01 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.43 1hjp s GLU 11 CO 0.47 -0.11 -0.20 0.15 0.02 0.00 0.00 175.26 175.60 1hjp s LYS 12 N -1.50 3.10 -0.41 1.61 1.02 -1.26 -1.24 119.74 121.05 1hjp s LYS 12 Ca -0.14 -0.82 0.06 0.00 0.02 0.00 0.00 55.97 55.09 1hjp s LYS 12 Cb -0.08 -2.47 0.22 0.00 -0.52 0.00 0.00 37.83 34.98 1hjp s LYS 12 CO 0.01 0.04 0.50 1.04 -0.92 0.00 0.00 175.35 176.02 1hjp n GLN 13 N 3.93 0.52 -1.53 1.68 6.02 0.31 -5.02 117.38 123.29 1hjp n GLN 13 Ca -0.19 -3.01 -0.54 0.00 -0.01 0.00 0.00 57.00 53.25 1hjp n GLN 13 Cb 0.52 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 30.31 1hjp n GLN 13 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1hjp n PRO 14 N 2.01 0.55 -0.25 -1.09 -0.01 -1.26 0.12 135.00 135.07 1hjp n PRO 14 Ca 0.23 0.20 0.04 0.00 -0.01 0.00 0.00 63.50 63.95 1hjp n PRO 14 Cb 0.52 -1.68 0.14 0.00 -0.01 0.00 0.00 33.50 32.48 1hjp n PRO 14 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 1hjp n PRO 15 N 1.76 2.10 -3.39 0.52 -0.04 -1.26 -5.09 135.00 129.59 1hjp n PRO 15 Ca 0.18 -1.15 -0.38 0.00 -0.04 0.00 0.00 63.50 62.12 1hjp n PRO 15 Cb 0.16 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 1hjp n PRO 15 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1hjp s LEU 16 N -1.04 4.42 0.13 1.53 2.96 0.12 -1.23 118.68 125.56 1hjp s LEU 16 Ca 0.21 0.98 0.11 0.00 -0.22 0.00 0.00 54.13 55.20 1hjp s LEU 16 Cb 0.13 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1hjp s LEU 16 CO 0.10 0.21 -0.27 -0.69 -1.32 0.00 0.00 176.35 174.38 1hjp s VAL 17 N -0.51 2.24 -0.28 1.68 1.01 0.19 -0.53 120.40 124.20 1hjp s VAL 17 Ca 0.26 -1.75 -0.00 0.00 0.00 0.00 0.00 61.98 60.49 1hjp s VAL 17 Cb -0.17 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.28 1hjp s VAL 17 CO 0.13 0.09 -0.05 -0.22 0.00 0.00 0.00 175.10 175.06 1hjp s LEU 18 N -2.04 3.60 -0.16 3.92 2.96 -0.37 -0.64 118.68 125.96 1hjp s LEU 18 Ca 0.14 -1.25 -0.05 0.00 -0.22 0.00 0.00 54.13 52.75 1hjp s LEU 18 Cb -0.10 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1hjp s LEU 18 CO 0.06 -0.21 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.24 1hjp s ILE 19 N 1.21 4.18 -0.29 6.68 1.01 -0.14 -0.35 121.20 133.50 1hjp s ILE 19 Ca -0.06 -0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 1hjp s ILE 19 Cb -0.19 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1hjp s ILE 19 CO -0.03 0.49 0.28 -0.70 0.00 0.00 0.00 174.94 174.97 1hjp s GLU 20 N 0.34 3.89 -0.30 2.79 2.12 0.33 0.53 118.70 128.40 1hjp s GLU 20 Ca -0.02 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.10 1hjp s GLU 20 Cb -0.14 -3.69 0.07 0.00 0.26 0.00 0.00 34.13 30.64 1hjp s GLU 20 CO 0.02 -0.27 -0.02 0.08 -0.54 0.00 0.00 175.26 174.53 1hjp s VAL 21 N 1.89 2.43 0.00 3.70 1.01 0.64 -1.24 120.40 128.83 1hjp s VAL 21 Ca 0.10 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1hjp s VAL 21 Cb -0.16 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1hjp s VAL 21 CO 0.11 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1hjp n GLY 22 N 4.42 1.80 0.30 4.51 0.00 -1.26 -1.96 105.19 113.00 1hjp n GLY 22 Ca -0.07 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.60 1hjp n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hjp n GLY 23 N 0.00 2.59 3.64 -0.02 0.00 -1.26 -5.00 105.19 105.13 1hjp n GLY 23 Ca 0.00 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 1hjp n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hjp s VAL 24 N -1.37 5.34 -0.52 1.61 1.01 -0.83 -5.05 120.40 120.60 1hjp s VAL 24 Ca 0.15 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.15 1hjp s VAL 24 Cb 0.13 -3.52 0.08 0.00 0.00 0.00 0.00 36.38 33.08 1hjp s VAL 24 CO 0.01 0.31 0.56 -0.83 0.00 0.00 0.00 175.10 175.15 1hjp s GLY 25 N 1.27 1.89 0.02 4.51 0.00 -1.26 -0.26 107.32 113.48 1hjp s GLY 25 Ca 0.08 -2.03 -0.20 0.00 0.00 0.00 0.00 44.72 42.57 1hjp s GLY 25 CO 0.07 1.34 0.58 -0.19 0.00 0.00 0.00 173.10 174.90 1hjp s TYR 26 N 2.24 3.72 -0.35 1.90 2.02 0.19 -4.85 117.35 122.22 1hjp s TYR 26 Ca 0.10 1.21 -0.22 0.00 -0.37 0.00 0.00 57.07 57.80 1hjp s TYR 26 Cb -0.23 -2.57 0.00 0.00 -0.40 0.00 0.00 41.96 38.77 1hjp s TYR 26 CO 0.08 0.43 0.70 -1.21 -1.57 0.00 0.00 175.55 173.98 1hjp s GLU 27 N -0.47 3.76 -0.15 -0.62 2.02 -1.26 -0.96 118.70 121.01 1hjp s GLU 27 Ca 0.30 0.22 -0.02 0.00 0.02 0.00 0.00 54.97 55.50 1hjp s GLU 27 Cb -0.19 -3.79 -0.02 0.00 0.10 0.00 0.00 34.13 30.24 1hjp s GLU 27 CO 0.18 -0.75 -0.08 0.08 0.02 0.00 0.00 175.26 174.70 1hjp s VAL 28 N 2.85 3.41 -0.29 2.63 1.01 0.19 -4.30 120.40 125.90 1hjp s VAL 28 Ca 0.28 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 1hjp s VAL 28 Cb -0.14 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1hjp s VAL 28 CO 0.15 0.50 0.41 -1.00 0.00 0.00 0.00 175.10 175.16 1hjp s HIS 29 N 0.47 3.23 0.01 5.22 3.76 -0.06 -0.64 115.29 127.29 1hjp s HIS 29 Ca -0.07 0.36 0.07 0.00 -0.15 0.00 0.00 55.06 55.27 1hjp s HIS 29 Cb -0.15 -2.66 -0.02 0.00 1.11 0.00 0.00 32.58 30.86 1hjp s HIS 29 CO 0.04 -0.30 -0.21 -1.64 -0.85 0.00 0.00 174.74 171.77 1hjp s MET 30 N 2.14 1.58 0.52 1.40 -1.94 -0.36 -0.54 119.30 122.10 1hjp s MET 30 Ca 0.16 -0.85 -0.23 0.00 -1.71 0.00 0.00 55.69 53.06 1hjp s MET 30 Cb -0.16 -1.61 -0.06 0.00 2.01 0.00 0.00 34.83 35.01 1hjp s MET 30 CO 0.10 0.43 1.34 -0.35 -0.01 0.00 0.00 175.02 176.53 1hjp n PRO 31 N 2.23 1.77 -0.19 2.03 -0.04 -1.26 -4.71 135.00 134.82 1hjp n PRO 31 Ca -0.16 0.64 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 1hjp n PRO 31 Cb 0.53 -2.54 0.42 0.00 -0.04 0.00 0.00 33.50 31.87 1hjp n PRO 31 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1hjp h MET 32 N 1.59 0.58 0.00 0.54 2.86 -1.81 -1.20 114.93 117.49 1hjp h MET 32 Ca -0.50 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.09 1hjp h MET 32 Cb 1.30 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 1hjp h MET 32 CO 0.58 0.38 -0.06 1.79 1.06 0.00 0.00 176.91 180.66 1hjp h THR 33 N 0.59 0.17 0.11 2.22 1.35 -1.75 -1.56 112.91 114.05 1hjp h THR 33 Ca 0.37 -0.56 -0.32 0.00 -0.55 0.00 0.00 66.41 65.34 1hjp h THR 33 Cb 0.61 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 1hjp h THR 33 CO -0.13 0.06 -1.67 0.00 -0.25 0.00 0.00 175.52 173.52 1hjp h PHE 35 N 0.06 0.90 -0.38 0.00 3.04 -0.30 -1.81 116.94 118.46 1hjp h PHE 35 Ca -0.29 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.70 1hjp h PHE 35 Cb 2.02 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 40.25 1hjp h PHE 35 CO 0.06 0.27 0.25 1.88 -2.02 0.00 0.00 178.31 178.75 1hjp h TYR 36 N 0.74 0.46 0.00 0.41 0.05 -1.53 -2.59 116.97 114.51 1hjp h TYR 36 Ca 0.48 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.27 1hjp h TYR 36 Cb 0.62 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.20 1hjp h TYR 36 CO -0.06 0.29 0.00 0.39 -1.05 0.00 0.00 178.16 177.73 1hjp n GLU 37 N -4.48 0.50 -2.07 4.88 -0.58 -0.68 -4.91 120.64 113.30 1hjp n GLU 37 Ca 0.03 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.39 1hjp n GLU 37 Cb 0.08 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 1hjp n GLU 37 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1hjp s LEU 38 N -2.50 4.06 0.00 -4.62 1.43 -0.98 -5.01 118.68 111.06 1hjp s LEU 38 Ca 0.31 2.55 -0.15 0.00 -1.03 0.00 0.00 54.13 55.81 1hjp s LEU 38 Cb 0.20 -4.11 0.24 0.00 0.03 0.00 0.00 46.19 42.55 1hjp s LEU 38 CO 0.44 -1.03 0.53 -2.65 0.23 0.00 0.00 176.35 173.88 1hjp n PRO 39 N -0.35 -3.80 -3.27 1.29 -0.02 -1.26 -4.99 135.00 122.60 1hjp n PRO 39 Ca 0.06 -0.90 -0.32 0.00 -2.02 0.00 0.00 63.50 60.33 1hjp n PRO 39 Cb 0.45 -1.17 -0.06 0.00 -0.02 0.00 0.00 33.50 32.71 1hjp n PRO 39 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1hjp s GLU 40 N -4.28 3.90 0.24 -0.52 1.03 -1.26 -4.98 118.70 112.84 1hjp s GLU 40 Ca 0.41 0.47 -0.31 0.00 0.03 0.00 0.00 54.97 55.57 1hjp s GLU 40 Cb -0.07 -2.54 -0.13 0.00 -0.80 0.00 0.00 34.13 30.59 1hjp s GLU 40 CO 0.34 0.23 1.41 0.00 -1.33 0.00 0.00 175.26 175.91 1hjp n ALA 41 N -0.27 1.12 -0.03 -0.84 0.00 -1.26 -0.99 120.51 118.24 1hjp n ALA 41 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1hjp n ALA 41 Cb 0.53 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1hjp n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hjp n GLY 42 N 2.14 0.42 3.69 0.00 0.00 0.80 -4.99 105.19 107.25 1hjp n GLY 42 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1hjp n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hjp s GLN 43 N -0.88 2.50 0.22 1.61 -1.52 -0.16 -4.83 119.66 116.60 1hjp s GLN 43 Ca 0.00 -1.08 -0.30 0.00 -1.95 0.00 0.00 55.36 52.03 1hjp s GLN 43 Cb 0.00 -2.40 -0.09 0.00 -0.22 0.00 0.00 33.01 30.30 1hjp s GLN 43 CO 0.00 0.45 1.21 -2.00 -0.25 0.00 0.00 175.29 174.70 1hjp s GLU 44 N -3.03 4.49 0.14 2.91 2.12 -1.26 -2.03 118.70 122.03 1hjp s GLU 44 Ca 0.28 1.92 0.08 0.00 0.36 0.00 0.00 54.97 57.62 1hjp s GLU 44 Cb -0.09 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1hjp s GLU 44 CO 0.20 -0.06 -0.18 0.00 -0.54 0.00 0.00 175.26 174.67 1hjp s ALA 45 N -0.36 1.85 -0.21 6.30 0.00 0.06 -4.86 121.76 124.54 1hjp s ALA 45 Ca 0.51 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1hjp s ALA 45 Cb -0.34 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.63 1hjp s ALA 45 CO 0.39 0.25 -0.15 0.42 0.00 0.00 0.00 175.76 176.68 1hjp s ILE 46 N -1.77 1.96 0.02 0.00 1.01 -1.26 -2.58 121.20 118.58 1hjp s ILE 46 Ca 0.11 -1.14 0.08 0.00 0.00 0.00 0.00 60.65 59.70 1hjp s ILE 46 Cb -0.07 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 1hjp s ILE 46 CO 0.05 0.28 -0.23 0.68 0.00 0.00 0.00 174.94 175.72 1hjp s VAL 47 N 1.27 1.83 -0.07 2.92 -7.23 -0.37 -4.85 120.40 113.90 1hjp s VAL 47 Ca -0.01 -1.14 -0.20 0.00 -1.81 0.00 0.00 61.98 58.82 1hjp s VAL 47 Cb -0.16 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 1hjp s VAL 47 CO -0.09 0.37 0.57 -0.36 -0.31 0.00 0.00 175.10 175.28 1hjp s PHE 48 N -0.68 3.58 0.25 2.82 0.08 -0.01 -1.51 117.98 122.51 1hjp s PHE 48 Ca 0.09 1.08 0.09 0.00 0.12 0.00 0.00 56.93 58.31 1hjp s PHE 48 Cb -0.09 -2.63 -0.05 0.00 -0.57 0.00 0.00 43.02 39.68 1hjp s PHE 48 CO 0.01 0.21 -0.14 0.95 -0.10 0.00 0.00 175.22 176.14 1hjp s THR 49 N 0.40 2.00 -0.18 0.64 -4.23 -0.43 -1.02 115.64 112.82 1hjp s THR 49 Ca 0.31 -2.26 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1hjp s THR 49 Cb -0.17 -2.24 0.05 0.00 1.34 0.00 0.00 72.50 71.48 1hjp s THR 49 CO 0.14 -0.45 -0.03 -2.28 -0.54 0.00 0.00 174.62 171.47 1hjp s HIS 50 N -2.80 1.59 -0.27 3.99 2.46 0.34 -4.54 115.29 116.06 1hjp s HIS 50 Ca 0.27 -1.09 -0.24 0.00 0.47 0.00 0.00 55.06 54.47 1hjp s HIS 50 Cb -0.01 -1.26 -0.00 0.00 -0.13 0.00 0.00 32.58 31.18 1hjp s HIS 50 CO 0.11 -0.63 0.81 0.12 -2.47 0.00 0.00 174.74 172.68 1hjp s PHE 51 N 1.67 3.26 -0.20 3.88 5.36 -1.26 -1.12 117.98 129.57 1hjp s PHE 51 Ca -0.01 0.99 -0.06 0.00 -0.96 0.00 0.00 56.93 56.90 1hjp s PHE 51 Cb -0.16 -3.12 -0.03 0.00 -0.34 0.00 0.00 43.02 39.37 1hjp s PHE 51 CO -0.07 -0.47 0.02 0.14 -1.46 0.00 0.00 175.22 173.38 1hjp s VAL 52 N 2.89 4.15 -0.20 3.12 -7.23 0.15 -4.88 120.40 118.39 1hjp s VAL 52 Ca 0.34 -0.25 -0.07 0.00 -1.81 0.00 0.00 61.98 60.19 1hjp s VAL 52 Cb -0.15 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1hjp s VAL 52 CO 0.10 0.42 0.05 -0.69 -0.31 0.00 0.00 175.10 174.67 1hjp s VAL 53 N 0.96 4.52 0.46 1.32 1.01 -1.26 -1.37 120.40 126.04 1hjp s VAL 53 Ca 0.02 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1hjp s VAL 53 Cb -0.14 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1hjp s VAL 53 CO 0.02 0.43 0.10 -0.13 0.00 0.00 0.00 175.10 175.53 1hjp s ARG 54 N 0.72 2.07 -0.01 2.72 0.52 -0.21 -5.03 118.95 119.73 1hjp s ARG 54 Ca 0.03 -2.30 -0.01 0.00 -0.52 0.00 0.00 55.73 52.92 1hjp s ARG 54 Cb -0.13 -0.84 -0.27 0.00 0.52 0.00 0.00 34.95 34.23 1hjp s ARG 54 CO 0.02 -0.50 0.79 1.49 0.02 0.00 0.00 175.30 177.12 1hjp h GLU 55 N 1.58 0.21 0.00 3.54 4.81 -2.05 -3.36 114.58 119.30 1hjp h GLU 55 Ca -0.37 -0.35 -0.16 0.00 -0.13 0.00 0.00 59.36 58.35 1hjp h GLU 55 Cb 1.29 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.78 1hjp h GLU 55 CO 0.59 1.03 -1.02 0.38 -0.73 0.00 0.00 179.01 179.27 1hjp h ASP 56 N 0.06 0.00 -5.11 1.04 2.03 -2.02 -3.48 116.42 108.93 1hjp h ASP 56 Ca -0.26 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.00 1hjp h ASP 56 Cb 2.01 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 40.40 1hjp h ASP 56 CO 0.14 0.65 -0.04 0.00 -1.03 0.00 0.00 179.24 178.97 1hjp s ALA 57 N -2.87 -0.80 -0.13 4.15 0.00 -1.26 -5.15 121.76 115.70 1hjp s ALA 57 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 1hjp s ALA 57 Cb 0.08 0.83 0.04 0.00 0.00 0.00 0.00 23.12 24.07 1hjp s ALA 57 CO 0.79 -0.76 -0.03 -0.65 0.00 0.00 0.00 175.76 175.11 1hjp s GLN 58 N -3.88 1.10 0.05 0.00 -0.21 -1.26 -1.04 119.66 114.41 1hjp s GLN 58 Ca 0.09 -0.24 0.06 0.00 0.02 0.00 0.00 55.36 55.29 1hjp s GLN 58 Cb 0.00 -1.60 -0.02 0.00 1.00 0.00 0.00 33.01 32.39 1hjp s GLN 58 CO -0.04 -0.38 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.07 1hjp s LEU 59 N 1.79 2.19 -0.21 2.90 1.43 -0.47 -5.00 118.68 121.30 1hjp s LEU 59 Ca 0.03 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 1hjp s LEU 59 Cb -0.14 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 1hjp s LEU 59 CO -0.07 0.08 -0.02 -0.76 0.23 0.00 0.00 176.35 175.80 1hjp s LEU 60 N -1.24 3.04 -0.20 1.79 1.02 -1.26 0.32 118.68 122.14 1hjp s LEU 60 Ca 0.04 -0.32 -0.08 0.00 0.02 0.00 0.00 54.13 53.79 1hjp s LEU 60 Cb -0.08 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 1hjp s LEU 60 CO 0.02 0.01 0.08 -0.31 0.02 0.00 0.00 176.35 176.17 1hjp s TYR 61 N 1.30 3.25 0.10 0.29 1.51 -0.27 -0.88 117.35 122.64 1hjp s TYR 61 Ca 0.04 0.05 0.10 0.00 -1.01 0.00 0.00 57.07 56.25 1hjp s TYR 61 Cb -0.14 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 1hjp s TYR 61 CO -0.01 0.09 -0.25 0.20 -1.11 0.00 0.00 175.55 174.48 1hjp s GLY 62 N 0.59 1.44 0.06 0.71 0.00 0.30 -0.50 107.32 109.92 1hjp s GLY 62 Ca 0.04 -1.35 0.01 0.00 0.00 0.00 0.00 44.72 43.42 1hjp s GLY 62 CO 0.01 -1.31 -0.05 -1.36 0.00 0.00 0.00 173.10 170.39 1hjp s PHE 63 N -1.00 0.63 -0.43 1.90 0.08 -0.19 -4.25 117.98 114.73 1hjp s PHE 63 Ca 0.12 -0.82 0.23 0.00 0.12 0.00 0.00 56.93 56.58 1hjp s PHE 63 Cb -0.10 -0.40 0.29 0.00 -0.57 0.00 0.00 43.02 42.24 1hjp s PHE 63 CO 0.04 -0.21 1.45 -0.91 -0.10 0.00 0.00 175.22 175.49 1hjp h ASN 64 N 3.59 0.00 -5.35 1.36 4.21 -1.88 0.01 115.58 117.51 1hjp h ASN 64 Ca -0.34 -0.01 -0.13 0.00 1.21 0.00 0.00 56.30 57.02 1hjp h ASN 64 Cb 1.17 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 38.25 1hjp h ASN 64 CO 0.57 0.01 -0.35 0.54 -1.29 0.00 0.00 177.43 176.90 1hjp s ASN 65 N -5.67 0.04 0.43 5.81 2.20 -1.26 -4.74 114.94 111.74 1hjp s ASN 65 Ca 0.05 -1.05 0.18 0.00 -0.94 0.00 0.00 52.86 51.11 1hjp s ASN 65 Cb 0.08 0.46 0.98 0.00 -2.00 0.00 0.00 41.25 40.77 1hjp s ASN 65 CO 0.70 -0.95 1.91 0.11 -2.94 0.00 0.00 177.10 175.93 1hjp h LYS 66 N 2.48 0.00 -0.36 3.55 6.56 -1.97 -3.00 116.57 123.83 1hjp h LYS 66 Ca -0.31 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.20 1hjp h LYS 66 Cb 1.24 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.89 1hjp h LYS 66 CO 0.46 0.27 -0.09 1.96 -2.06 0.00 0.00 179.45 179.99 1hjp h GLN 67 N 0.00 0.69 -0.73 3.15 4.20 -1.97 -1.42 115.11 119.03 1hjp h GLN 67 Ca -0.00 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 1hjp h GLN 67 Cb 0.55 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1hjp h GLN 67 CO 0.03 0.85 0.39 0.93 -0.67 0.00 0.00 178.83 180.37 1hjp h GLU 68 N 0.49 1.03 -0.81 1.46 5.08 -1.96 -1.07 114.58 118.80 1hjp h GLU 68 Ca 0.09 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1hjp h GLU 68 Cb 0.60 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1hjp h GLU 68 CO 0.04 0.77 0.38 -0.09 -1.00 0.00 0.00 179.01 179.11 1hjp h ARG 69 N 1.01 1.17 -0.50 2.33 2.43 -1.42 -1.02 114.38 118.37 1hjp h ARG 69 Ca 0.26 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1hjp h ARG 69 Cb 0.05 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1hjp h ARG 69 CO -0.04 0.91 0.16 1.15 -1.51 0.00 0.00 179.97 180.64 1hjp h THR 70 N 1.15 1.23 -0.00 0.20 2.02 -0.84 0.30 112.91 116.96 1hjp h THR 70 Ca 0.28 -0.75 0.03 0.00 0.77 0.00 0.00 66.41 66.73 1hjp h THR 70 Cb 0.13 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1hjp h THR 70 CO -0.03 0.28 -0.16 0.25 0.37 0.00 0.00 175.52 176.22 1hjp h LEU 71 N 0.68 -0.48 -0.75 2.58 5.85 -0.83 0.37 115.31 122.73 1hjp h LEU 71 Ca 0.16 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.02 1hjp h LEU 71 Cb 0.26 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1hjp h LEU 71 CO -0.01 -0.22 0.43 0.15 -0.34 0.00 0.00 178.44 178.45 1hjp h PHE 72 N -0.27 0.79 -0.60 1.25 3.04 -0.89 0.34 116.94 120.60 1hjp h PHE 72 Ca 0.05 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.94 1hjp h PHE 72 Cb 0.34 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 1hjp h PHE 72 CO -0.22 0.37 0.01 0.87 -2.02 0.00 0.00 178.31 177.33 1hjp h LYS 73 N 0.77 1.04 -0.14 1.11 1.57 0.15 -1.64 116.57 119.43 1hjp h LYS 73 Ca 0.34 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1hjp h LYS 73 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1hjp h LYS 73 CO -0.19 1.01 0.03 0.93 -0.57 0.00 0.00 179.45 180.65 1hjp h GLU 74 N 0.95 0.23 -0.42 3.15 4.39 0.68 -3.17 114.58 120.39 1hjp h GLU 74 Ca 0.17 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.89 1hjp h GLU 74 Cb 0.53 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.09 1hjp h GLU 74 CO 0.03 0.40 -0.00 1.25 -1.16 0.00 0.00 179.01 179.52 1hjp h LEU 75 N 0.02 -0.18 0.00 1.33 5.85 -0.21 -1.86 115.31 120.26 1hjp h LEU 75 Ca 0.04 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1hjp h LEU 75 Cb 0.28 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1hjp h LEU 75 CO 0.00 -0.05 0.00 2.30 -0.34 0.00 0.00 178.44 180.35 1hjp n ILE 76 N -5.21 0.54 0.37 4.05 -5.35 -0.63 -2.31 119.36 110.82 1hjp n ILE 76 Ca 0.03 0.14 0.14 0.00 -0.27 0.00 0.00 62.75 62.79 1hjp n ILE 76 Cb 0.22 -0.85 0.50 0.00 -1.74 0.00 0.00 39.64 37.77 1hjp n ILE 76 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1hjp h LYS 77 N 0.00 0.00 -5.55 6.28 1.79 -1.32 -3.44 116.57 114.33 1hjp h LYS 77 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1hjp h LYS 77 Cb 0.18 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.72 1hjp h LYS 77 CO 0.00 0.00 -0.06 -0.08 -1.08 0.00 0.00 179.45 178.23 1hjp s THR 78 N -3.39 5.12 0.16 -0.16 -1.32 -0.98 -5.01 115.64 110.07 1hjp s THR 78 Ca 0.05 0.93 -0.33 0.00 -1.21 0.00 0.00 61.69 61.12 1hjp s THR 78 Cb 0.09 -3.83 -0.16 0.00 -1.51 0.00 0.00 72.50 67.09 1hjp s THR 78 CO 0.51 0.20 1.17 0.59 -2.21 0.00 0.00 174.62 174.88 1hjp n ASN 79 N 4.65 1.30 0.00 8.08 5.03 -1.26 -0.81 115.26 132.25 1hjp n ASN 79 Ca -0.05 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.54 1hjp n ASN 79 Cb 0.51 -1.20 0.00 0.00 -1.02 0.00 0.00 39.78 38.06 1hjp n ASN 79 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hjp n GLY 80 N 2.04 1.66 3.16 7.41 0.00 -1.26 -5.01 105.19 113.19 1hjp n GLY 80 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1hjp n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hjp s VAL 81 N -2.36 2.39 0.48 1.61 1.01 0.00 -4.97 120.40 118.57 1hjp s VAL 81 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1hjp s VAL 81 Cb 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1hjp s VAL 81 CO 0.00 0.42 0.01 0.61 0.00 0.00 0.00 175.10 176.14 1hjp n GLY 82 N 4.64 3.58 0.25 4.51 0.00 -1.26 -4.49 105.19 112.42 1hjp n GLY 82 Ca -0.19 -2.36 0.03 0.00 0.00 0.00 0.00 46.02 43.49 1hjp n GLY 82 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hjp h PRO 83 N 0.00 0.37 -0.62 1.61 0.11 -1.96 0.14 132.00 131.65 1hjp h PRO 83 Ca -0.40 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1hjp h PRO 83 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1hjp h PRO 83 CO 0.66 0.24 0.37 -0.22 -0.21 0.00 0.00 178.00 178.85 1hjp h LYS 84 N 0.38 0.84 -0.34 1.05 3.64 -1.98 0.22 116.57 120.38 1hjp h LYS 84 Ca 0.36 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1hjp h LYS 84 Cb 0.52 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1hjp h LYS 84 CO -0.38 0.60 -0.14 1.25 -2.27 0.00 0.00 179.45 178.51 1hjp h LEU 85 N 0.84 0.71 -1.03 5.20 5.85 -1.73 -1.60 115.31 123.55 1hjp h LEU 85 Ca 0.22 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1hjp h LEU 85 Cb -0.02 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1hjp h LEU 85 CO -0.04 0.94 0.22 0.00 -0.34 0.00 0.00 178.44 179.22 1hjp h ALA 86 N 0.79 1.23 -0.77 1.25 0.00 -0.54 0.17 119.26 121.39 1hjp h ALA 86 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1hjp h ALA 86 Cb 0.66 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1hjp h ALA 86 CO 0.04 0.55 0.39 1.25 0.00 0.00 0.00 179.25 181.49 1hjp h LEU 87 N 0.89 0.99 -0.36 0.00 7.12 -0.34 -1.78 115.31 121.82 1hjp h LEU 87 Ca 0.21 -0.12 -0.16 0.00 0.13 0.00 0.00 57.88 57.94 1hjp h LEU 87 Cb 0.21 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.09 1hjp h LEU 87 CO -0.01 0.83 -0.39 0.00 -0.13 0.00 0.00 178.44 178.74 1hjp h ALA 88 N 1.20 0.54 -0.28 1.25 0.00 -0.24 -2.38 119.26 119.34 1hjp h ALA 88 Ca 0.27 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1hjp h ALA 88 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1hjp h ALA 88 CO -0.04 0.64 0.18 0.82 0.00 0.00 0.00 179.25 180.85 1hjp h ILE 89 N 0.71 1.06 0.00 0.00 2.04 -0.47 -0.87 117.51 119.97 1hjp h ILE 89 Ca 0.05 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1hjp h ILE 89 Cb 0.98 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1hjp h ILE 89 CO 0.09 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.49 1hjp n LEU 90 N -4.91 0.00 -0.11 1.44 4.32 -0.69 -1.98 117.00 115.08 1hjp n LEU 90 Ca -0.02 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.78 1hjp n LEU 90 Cb 0.03 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.71 1hjp n LEU 90 CO 0.34 0.00 -1.26 -1.20 -1.22 0.00 0.00 177.39 174.05 1hjp n SER 91 N -0.70 2.00 0.11 -1.43 7.64 -0.52 -3.23 113.62 117.49 1hjp n SER 91 Ca 0.09 -0.04 -0.03 0.00 1.01 0.00 0.00 58.87 59.89 1hjp n SER 91 Cb 0.04 -0.52 0.14 0.00 -1.01 0.00 0.00 64.21 62.86 1hjp n SER 91 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1hjp h GLY 92 N 1.60 0.14 -3.71 0.23 0.00 -1.01 -3.39 103.07 96.93 1hjp h GLY 92 Ca -0.56 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 46.49 1hjp h GLY 92 CO -0.09 0.16 -0.34 -3.16 0.00 0.00 0.00 176.54 173.11 1hjp s MET 93 N -3.67 0.76 0.94 4.80 0.00 -0.84 -5.10 119.30 116.19 1hjp s MET 93 Ca -0.03 -0.68 -0.12 0.00 0.00 0.00 0.00 55.69 54.86 1hjp s MET 93 Cb 0.12 0.32 0.15 0.00 0.00 0.00 0.00 34.83 35.42 1hjp s MET 93 CO 0.78 -0.24 1.10 -1.54 0.00 0.00 0.00 175.02 175.13 1hjp s SER 94 N -2.28 3.19 0.14 -1.18 1.04 -1.26 -4.26 113.70 109.08 1hjp s SER 94 Ca -0.03 1.21 -0.17 0.00 0.48 0.00 0.00 55.95 57.45 1hjp s SER 94 Cb 0.00 -1.87 -0.00 0.00 0.10 0.00 0.00 66.02 64.25 1hjp s SER 94 CO -0.06 -2.78 1.77 0.00 0.98 0.00 0.00 173.24 173.15 1hjp h ALA 95 N -1.65 0.48 -0.48 5.32 0.00 -1.95 -0.46 119.26 120.52 1hjp h ALA 95 Ca -0.52 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.35 1hjp h ALA 95 Cb 1.31 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1hjp h ALA 95 CO 0.58 -0.02 0.29 1.96 0.00 0.00 0.00 179.25 182.07 1hjp h GLN 96 N 0.49 0.57 -0.64 0.00 1.08 -1.92 -0.11 115.11 114.57 1hjp h GLN 96 Ca 0.13 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 1hjp h GLN 96 Cb 0.02 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 1hjp h GLN 96 CO -0.02 0.38 0.26 1.96 -0.95 0.00 0.00 178.83 180.45 1hjp h GLN 97 N 0.59 0.94 -0.36 1.46 4.20 -1.85 0.35 115.11 120.43 1hjp h GLN 97 Ca 0.19 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1hjp h GLN 97 Cb -0.00 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1hjp h GLN 97 CO -0.08 0.76 -0.04 0.35 -0.67 0.00 0.00 178.83 179.16 1hjp h PHE 98 N 0.92 0.74 -0.64 2.96 3.57 -0.24 0.86 116.94 125.10 1hjp h PHE 98 Ca 0.22 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1hjp h PHE 98 Cb 0.17 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1hjp h PHE 98 CO 0.01 0.79 0.15 0.28 -2.23 0.00 0.00 178.31 177.31 1hjp h VAL 99 N 0.47 1.26 -0.58 1.41 2.07 -0.70 -0.95 116.25 119.23 1hjp h VAL 99 Ca 0.10 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1hjp h VAL 99 Cb 0.52 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1hjp h VAL 99 CO 0.03 0.36 0.28 0.78 0.02 0.00 0.00 177.57 179.03 1hjp h ASN 100 N 0.95 0.75 0.54 0.57 2.35 -0.74 0.10 115.58 120.11 1hjp h ASN 100 Ca 0.20 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1hjp h ASN 100 Cb 0.37 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1hjp h ASN 100 CO 0.00 0.66 -0.13 0.00 -1.65 0.00 0.00 177.43 176.32 1hjp h ALA 101 N 1.11 1.17 0.04 -0.83 0.00 -0.56 -1.83 119.26 118.37 1hjp h ALA 101 Ca 0.20 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1hjp h ALA 101 Cb 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1hjp h ALA 101 CO -0.03 0.16 -0.50 0.28 0.00 0.00 0.00 179.25 179.17 1hjp h VAL 102 N 0.00 1.53 -0.79 0.00 2.07 0.25 0.02 116.25 119.33 1hjp h VAL 102 Ca -0.00 -2.22 -0.03 0.00 0.82 0.00 0.00 66.70 65.27 1hjp h VAL 102 Cb 0.43 2.94 -0.04 0.00 -1.52 0.00 0.00 31.29 33.11 1hjp h VAL 102 CO 0.02 0.62 0.38 -0.33 0.02 0.00 0.00 177.57 178.28 1hjp h GLU 103 N -0.41 1.14 -0.38 1.57 4.39 -0.77 -2.29 114.58 117.83 1hjp h GLU 103 Ca -0.07 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1hjp h GLU 103 Cb 1.29 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1hjp h GLU 103 CO 0.10 0.88 0.00 0.54 -1.16 0.00 0.00 179.01 179.36 1hjp n ARG 104 N -4.31 1.93 -4.00 2.33 1.74 -0.71 -4.94 116.66 108.70 1hjp n ARG 104 Ca 0.08 -1.44 -0.27 0.00 -0.77 0.00 0.00 57.85 55.44 1hjp n ARG 104 Cb 0.14 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 1hjp n ARG 104 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1hjp n GLU 105 N 0.67 -3.33 -2.71 5.56 1.02 -0.86 -4.88 120.64 116.11 1hjp n GLU 105 Ca 0.14 0.40 -0.42 0.00 -0.02 0.00 0.00 57.16 57.26 1hjp n GLU 105 Cb 0.35 -4.64 -0.03 0.00 -0.02 0.00 0.00 31.44 27.10 1hjp n GLU 105 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1hjp s GLU 106 N -6.62 3.53 -0.93 3.49 2.02 -0.03 -4.86 118.70 115.30 1hjp s GLU 106 Ca 0.14 -1.27 -0.00 0.00 0.02 0.00 0.00 54.97 53.85 1hjp s GLU 106 Cb -0.07 -5.04 0.33 0.00 0.10 0.00 0.00 34.13 29.45 1hjp s GLU 106 CO 0.89 -2.02 1.74 1.55 0.02 0.00 0.00 175.26 177.44 1hjp n VAL 107 N 6.29 5.23 0.00 2.63 3.14 -1.26 -3.75 118.33 130.61 1hjp n VAL 107 Ca 0.25 -5.63 0.00 0.00 -2.96 0.00 0.00 64.34 56.00 1hjp n VAL 107 Cb 0.50 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.81 1hjp n VAL 107 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1hjp n GLY 108 N -0.17 0.00 0.10 7.55 0.00 -1.26 -4.74 105.19 106.67 1hjp n GLY 108 Ca 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.44 1hjp n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjp h ALA 109 N 0.00 0.64 0.00 4.61 0.00 -1.99 -3.31 119.26 119.21 1hjp h ALA 109 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1hjp h ALA 109 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1hjp h ALA 109 CO 0.00 1.00 -1.73 1.28 0.00 0.00 0.00 179.25 179.80 1hjp n LEU 110 N -3.53 0.32 0.23 0.00 4.77 -1.26 -4.37 117.00 113.16 1hjp n LEU 110 Ca -0.00 0.13 0.07 0.00 -0.03 0.00 0.00 56.01 56.18 1hjp n LEU 110 Cb 0.78 0.06 0.55 0.00 -2.33 0.00 0.00 43.42 42.48 1hjp n LEU 110 CO 0.44 0.03 0.88 1.62 -1.33 0.00 0.00 177.39 179.04 1hjp h VAL 111 N 0.00 0.94 -0.38 4.08 3.04 -1.79 -2.92 116.25 119.23 1hjp h VAL 111 Ca -0.09 -0.76 -0.06 0.00 -1.01 0.00 0.00 66.70 64.79 1hjp h VAL 111 Cb 1.23 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 31.93 1hjp h VAL 111 CO 0.01 0.20 0.02 0.07 -1.01 0.00 0.00 177.57 176.86 1hjp h LYS 112 N 0.00 0.65 -6.55 4.17 2.10 -1.76 -3.42 116.57 111.75 1hjp h LYS 112 Ca -0.00 -0.20 -0.59 0.00 -2.00 0.00 0.00 60.65 57.86 1hjp h LYS 112 Cb 0.42 -0.06 0.08 0.00 -0.90 0.00 0.00 32.23 31.76 1hjp h LYS 112 CO 0.03 0.74 0.61 1.28 -2.00 0.00 0.00 179.45 180.11 1hjp n LEU 113 N -4.49 2.96 -4.77 7.07 4.77 -1.10 -4.91 117.00 116.52 1hjp n LEU 113 Ca -0.01 1.13 -0.39 0.00 -0.03 0.00 0.00 56.01 56.72 1hjp n LEU 113 Cb 0.27 -1.41 -0.01 0.00 -2.33 0.00 0.00 43.42 39.94 1hjp n LEU 113 CO 0.40 -0.53 0.90 -2.16 -1.33 0.00 0.00 177.39 174.66 1hjp s PRO 114 N -0.23 3.91 0.00 3.23 0.04 -1.26 -3.98 135.00 136.71 1hjp s PRO 114 Ca 0.70 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1hjp s PRO 114 Cb -0.67 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1hjp s PRO 114 CO 0.48 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1hjp n GLY 115 N 0.63 0.79 0.60 0.56 0.00 -1.26 -4.96 105.19 101.56 1hjp n GLY 115 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1hjp n GLY 115 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1hjp n ILE 116 N -2.00 0.72 0.00 -0.61 3.06 -1.26 -5.05 119.36 114.22 1hjp n ILE 116 Ca 0.00 0.26 0.00 0.00 -2.50 0.00 0.00 62.75 60.51 1hjp n ILE 116 Cb 0.00 -1.59 0.00 0.00 0.54 0.00 0.00 39.64 38.59 1hjp n ILE 116 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1hjp n GLY 117 N 2.63 0.20 0.46 4.50 0.00 -1.26 -4.58 105.19 107.14 1hjp n GLY 117 Ca -0.03 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 1hjp n GLY 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hjp n LYS 118 N 0.00 0.26 -0.06 1.61 4.01 -1.26 -4.19 118.16 118.53 1hjp n LYS 118 Ca 0.00 0.10 -0.09 0.00 -0.51 0.00 0.00 58.31 57.81 1hjp n LYS 118 Cb 0.00 -1.01 0.07 0.00 -0.51 0.00 0.00 35.03 33.58 1hjp n LYS 118 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1hjp h LYS 119 N -0.30 0.71 -0.07 1.97 1.57 -1.99 -1.80 116.57 116.66 1hjp h LYS 119 Ca -0.29 -0.34 -0.16 0.00 -1.87 0.00 0.00 60.65 57.99 1hjp h LYS 119 Cb 1.30 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1hjp h LYS 119 CO -0.14 0.95 -0.65 1.15 -0.57 0.00 0.00 179.45 180.18 1hjp h THR 120 N 0.60 1.39 0.04 -0.16 2.02 -1.84 0.11 112.91 115.08 1hjp h THR 120 Ca 0.06 -2.06 0.01 0.00 0.77 0.00 0.00 66.41 65.19 1hjp h THR 120 Cb 0.86 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 1hjp h THR 120 CO 0.07 0.61 -0.13 0.00 0.37 0.00 0.00 175.52 176.45 1hjp h ALA 121 N 1.11 -0.18 -0.42 6.16 0.00 -1.69 0.41 119.26 124.65 1hjp h ALA 121 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1hjp h ALA 121 Cb 1.18 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1hjp h ALA 121 CO 0.10 -0.63 0.22 0.93 0.00 0.00 0.00 179.25 179.87 1hjp h GLU 122 N -0.24 0.43 -0.43 0.00 5.08 -1.13 -1.72 114.58 116.57 1hjp h GLU 122 Ca 0.03 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1hjp h GLU 122 Cb 0.27 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1hjp h GLU 122 CO -0.09 0.29 -0.13 0.07 -1.00 0.00 0.00 179.01 178.14 1hjp h ARG 123 N 0.44 0.79 -0.42 2.33 0.11 -0.35 -2.06 114.38 115.22 1hjp h ARG 123 Ca 0.18 -0.28 0.04 0.00 0.10 0.00 0.00 59.98 60.02 1hjp h ARG 123 Cb 0.06 -0.06 -0.04 0.00 1.11 0.00 0.00 29.97 31.05 1hjp h ARG 123 CO -0.11 0.88 0.19 1.25 0.10 0.00 0.00 179.97 182.29 1hjp h LEU 124 N 0.71 0.26 0.35 0.08 6.46 0.22 0.12 115.31 123.50 1hjp h LEU 124 Ca 0.11 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1hjp h LEU 124 Cb 0.63 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1hjp h LEU 124 CO 0.04 0.19 -0.17 0.40 -0.62 0.00 0.00 178.44 178.29 1hjp h ILE 125 N 0.39 0.67 -0.03 4.05 2.04 -1.10 0.28 117.51 123.82 1hjp h ILE 125 Ca 0.19 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1hjp h ILE 125 Cb 0.12 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1hjp h ILE 125 CO -0.15 0.04 -0.27 0.58 0.00 0.00 0.00 178.15 178.35 1hjp h VAL 126 N -0.57 0.38 -0.24 1.67 2.07 -1.21 -0.82 116.25 117.54 1hjp h VAL 126 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1hjp h VAL 126 Cb 0.42 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1hjp h VAL 126 CO 0.08 0.00 0.13 -0.33 0.02 0.00 0.00 177.57 177.47 1hjp h GLU 127 N -0.40 0.33 -0.66 1.57 5.08 -0.94 -2.51 114.58 117.05 1hjp h GLU 127 Ca 0.07 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1hjp h GLU 127 Cb 0.50 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1hjp h GLU 127 CO -0.25 0.30 0.16 0.52 -1.00 0.00 0.00 179.01 178.73 1hjp h MET 128 N 0.27 1.05 -1.01 2.33 2.86 -0.28 -1.82 114.93 118.34 1hjp h MET 128 Ca 0.08 -0.25 0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1hjp h MET 128 Cb 0.07 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 1hjp h MET 128 CO -0.01 0.93 0.65 -0.22 1.06 0.00 0.00 176.91 179.33 1hjp h LYS 129 N 1.00 1.18 -0.45 1.72 3.64 -1.05 -0.93 116.57 121.68 1hjp h LYS 129 Ca 0.21 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1hjp h LYS 129 Cb 0.36 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1hjp h LYS 129 CO 0.00 0.78 -0.24 0.22 -2.27 0.00 0.00 179.45 177.94 1hjp h ASP 130 N 1.21 0.96 0.72 4.20 3.58 -1.05 -3.19 116.42 122.85 1hjp h ASP 130 Ca 0.42 -0.37 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 1hjp h ASP 130 Cb 0.11 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 1hjp h ASP 130 CO -0.16 1.14 -0.47 0.03 -2.88 0.00 0.00 179.24 176.91 1hjp h ARG 131 N 0.80 0.00 -0.07 0.28 3.08 -0.55 -3.22 114.38 114.70 1hjp h ARG 131 Ca 0.10 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1hjp h ARG 131 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1hjp h ARG 131 CO 0.07 0.47 -0.41 0.74 -1.07 0.00 0.00 179.97 179.77 1hjp h PHE 132 N 0.00 0.17 -0.31 3.04 0.04 -1.18 -2.98 116.94 115.71 1hjp h PHE 132 Ca -0.00 -0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.79 1hjp h PHE 132 Cb 0.95 -0.04 -0.08 0.00 2.20 0.00 0.00 35.95 38.98 1hjp h PHE 132 CO 0.00 0.53 -0.32 0.87 -0.60 0.00 0.00 178.31 178.79 1hjp h LYS 133 N 0.12 -0.28 -0.13 1.51 1.57 -1.63 -0.63 116.57 117.10 1hjp h LYS 133 Ca 0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1hjp h LYS 133 Cb 0.77 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1hjp h LYS 133 CO 0.06 -0.19 0.00 0.41 -0.57 0.00 0.00 179.45 179.16 1hjp n GLY 134 N -1.41 0.05 3.77 3.86 0.00 -1.23 -4.91 105.19 105.32 1hjp n GLY 134 Ca -0.00 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 1hjp n GLY 134 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hjp s LEU 135 N -1.59 4.52 0.00 0.99 2.96 -0.25 -5.02 118.68 120.29 1hjp s LEU 135 Ca 0.32 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 1hjp s LEU 135 Cb 0.17 -3.19 0.00 0.00 0.50 0.00 0.00 46.19 43.67 1hjp s LEU 135 CO 0.26 0.14 0.00 1.41 -1.32 0.00 0.00 176.35 176.83 1hjp n HIS 136 N 2.16 0.00 0.00 5.38 8.25 -1.26 -4.89 115.22 124.86 1hjp n HIS 136 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1hjp n HIS 136 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1hjp n HIS 136 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hjp n GLY 137 N 0.00 3.09 0.00 -1.41 0.00 -1.26 -4.97 105.19 100.64 1hjp n GLY 137 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1hjp n GLY 137 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hjp n ASP 138 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.65 116.55 114.27 1hjp n ASP 138 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1hjp n ASP 138 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1hjp n ASP 138 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1hjp n LEU 139 N 0.00 0.00 -0.09 -2.67 7.94 -1.26 -5.15 117.00 115.77 1hjp n LEU 139 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 1hjp n LEU 139 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1hjp n LEU 139 CO 0.00 0.00 -0.66 0.49 -1.11 0.00 0.00 177.39 176.11 1hjp n PHE 140 N -0.59 0.32 0.00 1.96 3.72 -1.26 -4.92 117.46 116.68 1hjp n PHE 140 Ca 0.00 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1hjp n PHE 140 Cb 0.00 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 37.88 1hjp n PHE 140 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1hjp n ASP 158 N -4.48 0.00 -0.26 4.37 2.03 -1.26 -4.94 116.55 112.02 1hjp n ASP 158 Ca -0.18 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.20 1hjp n ASP 158 Cb 0.50 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.09 1hjp n ASP 158 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hjp h ALA 159 N 0.00 0.98 -0.49 -1.67 0.00 -1.96 0.26 119.26 116.39 1hjp h ALA 159 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1hjp h ALA 159 Cb 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1hjp h ALA 159 CO 0.00 -0.37 -0.16 1.49 0.00 0.00 0.00 179.25 180.21 1hjp h GLU 160 N 0.24 0.94 -0.03 0.00 4.81 -1.92 -0.82 114.58 117.81 1hjp h GLU 160 Ca 0.44 -0.36 -0.21 0.00 -0.13 0.00 0.00 59.36 59.10 1hjp h GLU 160 Cb 0.77 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1hjp h GLU 160 CO -0.55 1.03 -0.85 0.37 -0.73 0.00 0.00 179.01 178.27 1hjp h GLN 161 N 0.83 0.37 -0.03 1.92 5.75 -1.72 -2.06 115.11 120.17 1hjp h GLN 161 Ca 0.12 -0.36 -0.00 0.00 -0.15 0.00 0.00 58.65 58.26 1hjp h GLN 161 Cb 0.71 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.35 1hjp h GLN 161 CO 0.05 1.03 0.02 1.49 -2.65 0.00 0.00 178.83 178.77 1hjp h GLU 162 N 0.23 0.05 -0.64 1.69 4.81 -0.44 -2.07 114.58 118.20 1hjp h GLU 162 Ca -0.06 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1hjp h GLU 162 Cb 1.46 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.80 1hjp h GLU 162 CO 0.14 0.10 0.43 0.00 -0.73 0.00 0.00 179.01 178.95 1hjp h ALA 163 N 0.94 1.58 -0.25 2.92 0.00 -1.07 -0.89 119.26 122.49 1hjp h ALA 163 Ca 0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1hjp h ALA 163 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1hjp h ALA 163 CO -0.00 0.37 -0.12 0.28 0.00 0.00 0.00 179.25 179.78 1hjp h VAL 164 N 0.83 1.30 -0.42 0.00 2.07 -1.17 -2.61 116.25 116.25 1hjp h VAL 164 Ca 0.24 -1.20 0.07 0.00 0.82 0.00 0.00 66.70 66.64 1hjp h VAL 164 Cb -0.04 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1hjp h VAL 164 CO -0.06 0.37 0.05 0.00 0.02 0.00 0.00 177.57 177.96 1hjp h ALA 165 N 0.73 0.44 -0.44 1.67 0.00 -0.75 0.15 119.26 121.05 1hjp h ALA 165 Ca 0.06 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1hjp h ALA 165 Cb 0.62 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1hjp h ALA 165 CO 0.04 -0.35 0.08 0.00 0.00 0.00 0.00 179.25 179.02 1hjp h ALA 166 N 1.34 0.48 -0.23 0.00 0.00 -1.12 0.94 119.26 120.67 1hjp h ALA 166 Ca 0.21 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1hjp h ALA 166 Cb 0.28 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1hjp h ALA 166 CO -0.30 -0.32 -0.17 -0.07 0.00 0.00 0.00 179.25 178.39 1hjp h LEU 167 N 0.21 0.38 -0.36 0.00 4.07 -0.92 -1.29 115.31 117.41 1hjp h LEU 167 Ca 0.22 -0.10 -0.17 0.00 0.08 0.00 0.00 57.88 57.90 1hjp h LEU 167 Cb 0.28 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 1hjp h LEU 167 CO -0.29 0.57 -0.47 0.58 -1.08 0.00 0.00 178.44 177.75 1hjp h VAL 168 N 0.36 1.27 -0.74 1.22 2.07 0.16 -1.92 116.25 118.67 1hjp h VAL 168 Ca 0.06 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 65.95 1hjp h VAL 168 Cb 0.51 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1hjp h VAL 168 CO 0.03 0.54 0.49 0.00 0.02 0.00 0.00 177.57 178.65 1hjp h ALA 169 N 0.75 1.49 0.00 1.67 0.00 -0.26 -1.64 119.26 121.26 1hjp h ALA 169 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1hjp h ALA 169 Cb 1.07 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1hjp h ALA 169 CO 0.11 0.47 -0.11 -0.07 0.00 0.00 0.00 179.25 179.65 1hjp h LEU 170 N 0.99 0.00 0.00 0.00 4.07 -1.04 -3.46 115.31 115.87 1hjp h LEU 170 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1hjp h LEU 170 Cb -0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1hjp h LEU 170 CO -0.06 0.11 0.00 0.61 -1.08 0.00 0.00 178.44 178.02 1hjp n GLY 171 N -0.11 0.53 3.79 0.83 0.00 -0.62 -5.10 105.19 104.50 1hjp n GLY 171 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1hjp n GLY 171 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hjp s TYR 172 N -1.09 2.82 0.32 1.61 2.02 -0.74 -5.00 117.35 117.29 1hjp s TYR 172 Ca 0.00 1.53 -0.22 0.00 -0.37 0.00 0.00 57.07 58.01 1hjp s TYR 172 Cb 0.00 -3.10 -0.10 0.00 -0.40 0.00 0.00 41.96 38.36 1hjp s TYR 172 CO 0.00 -1.35 0.87 0.15 -1.57 0.00 0.00 175.55 173.65 1hjp s LYS 173 N -3.93 4.37 0.24 -0.62 1.02 -1.26 -4.30 119.74 115.27 1hjp s LYS 173 Ca 0.66 1.11 -0.11 0.00 0.02 0.00 0.00 55.97 57.65 1hjp s LYS 173 Cb -0.19 -2.67 0.35 0.00 -0.52 0.00 0.00 37.83 34.81 1hjp s LYS 173 CO 0.36 0.24 1.60 -1.35 -0.92 0.00 0.00 175.35 175.28 1hjp h PRO 174 N 2.90 0.01 -0.41 -1.68 0.11 -1.95 0.88 132.00 131.86 1hjp h PRO 174 Ca -0.48 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1hjp h PRO 174 Cb 1.19 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1hjp h PRO 174 CO 0.64 0.01 0.13 -0.56 -0.21 0.00 0.00 178.00 178.01 1hjp h GLN 175 N 0.01 0.64 -0.11 1.05 -0.00 -1.99 -1.21 115.11 113.50 1hjp h GLN 175 Ca 0.38 -0.14 -0.10 0.00 -0.00 0.00 0.00 58.65 58.80 1hjp h GLN 175 Cb 0.60 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 27.98 1hjp h GLN 175 CO -0.80 0.63 -0.37 1.05 -0.00 0.00 0.00 178.83 179.35 1hjp h GLU 176 N 0.52 0.22 -0.18 0.06 4.11 -1.72 -1.35 114.58 116.24 1hjp h GLU 176 Ca 0.13 -0.09 -0.12 0.00 0.07 0.00 0.00 59.36 59.35 1hjp h GLU 176 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1hjp h GLU 176 CO -0.00 0.56 -0.41 0.00 0.07 0.00 0.00 179.01 179.23 1hjp h ALA 177 N 1.44 0.96 -0.02 1.06 0.00 -0.65 -1.72 119.26 120.32 1hjp h ALA 177 Ca 0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1hjp h ALA 177 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1hjp h ALA 177 CO 0.06 0.62 -0.53 0.77 0.00 0.00 0.00 179.25 180.17 1hjp h SER 178 N 0.35 0.06 -0.12 0.00 0.02 -0.74 -2.09 113.55 111.03 1hjp h SER 178 Ca 0.03 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1hjp h SER 178 Cb 0.87 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1hjp h SER 178 CO 0.07 0.58 0.00 0.03 -1.14 0.00 0.00 176.83 176.38 1hjp h ARG 179 N 0.05 0.21 -0.86 3.45 3.08 -0.79 -3.18 114.38 116.33 1hjp h ARG 179 Ca -0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1hjp h ARG 179 Cb 0.95 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.94 1hjp h ARG 179 CO 0.07 0.45 0.53 0.52 -1.07 0.00 0.00 179.97 180.47 1hjp h MET 180 N -0.05 1.16 -3.03 0.04 2.86 -1.21 -3.07 114.93 111.63 1hjp h MET 180 Ca 0.03 -0.10 -0.78 0.00 -2.06 0.00 0.00 59.70 56.80 1hjp h MET 180 Cb 0.36 -0.25 -0.21 0.00 0.06 0.00 0.00 31.60 31.56 1hjp h MET 180 CO 0.01 0.81 1.53 0.28 1.06 0.00 0.00 176.91 180.60 1hjp n VAL 181 N -4.43 5.02 0.00 -2.22 0.31 -0.80 -3.79 118.33 112.43 1hjp n VAL 181 Ca 0.09 -5.12 0.00 0.00 -0.01 0.00 0.00 64.34 59.30 1hjp n VAL 181 Cb 0.05 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 30.85 1hjp n VAL 181 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1hjp n SER 182 N 2.23 0.00 -0.37 4.52 7.64 -1.16 -4.72 113.62 121.74 1hjp n SER 182 Ca 0.39 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.27 1hjp n SER 182 Cb 0.32 0.47 0.15 0.00 -1.01 0.00 0.00 64.21 64.14 1hjp n SER 182 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1hjp h LYS 183 N 0.00 1.22 -0.09 1.43 3.64 -1.65 -2.83 116.57 118.30 1hjp h LYS 183 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1hjp h LYS 183 Cb 0.00 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.54 1hjp h LYS 183 CO 0.00 0.81 0.00 1.51 -2.27 0.00 0.00 179.45 179.50 1hjp n ILE 184 N -4.45 0.37 -1.54 2.00 3.06 -1.26 -4.99 119.36 112.54 1hjp n ILE 184 Ca 0.14 -0.68 -0.37 0.00 -2.50 0.00 0.00 62.75 59.33 1hjp n ILE 184 Cb 0.11 0.92 -0.05 0.00 0.54 0.00 0.00 39.64 41.16 1hjp n ILE 184 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1hjp n ALA 185 N 0.33 0.78 -3.76 1.51 0.00 -1.07 -4.91 120.51 113.39 1hjp n ALA 185 Ca 0.06 -0.80 -0.36 0.00 0.00 0.00 0.00 53.44 52.33 1hjp n ALA 185 Cb 0.25 -3.06 -0.11 0.00 0.00 0.00 0.00 19.45 16.53 1hjp n ALA 185 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1hjp s ARG 186 N 8.23 2.03 0.24 0.00 3.52 -1.26 -4.93 118.95 126.78 1hjp s ARG 186 Ca 1.04 -1.82 -0.28 0.00 -0.13 0.00 0.00 55.73 54.54 1hjp s ARG 186 Cb -0.34 -3.61 -0.15 0.00 -1.56 0.00 0.00 34.95 29.29 1hjp s ARG 186 CO 0.30 -1.08 0.79 -2.30 -0.81 0.00 0.00 175.30 172.21 1hjp n PRO 187 N 4.61 0.73 -2.36 5.12 -0.02 -1.26 -2.92 135.00 138.91 1hjp n PRO 187 Ca -0.03 0.26 -0.01 0.00 -2.02 0.00 0.00 63.50 61.71 1hjp n PRO 187 Cb 0.41 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1hjp n PRO 187 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1hjp n ASP 188 N 1.59 -2.08 -3.71 2.55 2.03 -1.26 -5.07 116.55 110.59 1hjp n ASP 188 Ca 0.14 -0.02 -0.11 0.00 0.52 0.00 0.00 54.79 55.32 1hjp n ASP 188 Cb 0.28 -0.63 -0.11 0.00 -0.72 0.00 0.00 41.12 39.94 1hjp n ASP 188 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hjp s ALA 189 N -3.01 -0.92 0.51 -1.67 0.00 -1.15 -5.15 121.76 110.37 1hjp s ALA 189 Ca 0.01 1.34 -0.18 0.00 0.00 0.00 0.00 51.96 53.13 1hjp s ALA 189 Cb -0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 23.12 22.17 1hjp s ALA 189 CO 0.02 -0.24 0.11 -1.13 0.00 0.00 0.00 175.76 174.52 1hjp n SER 190 N 4.07 -2.73 0.15 0.00 3.41 -1.26 -4.78 113.62 112.47 1hjp n SER 190 Ca -0.22 0.70 0.01 0.00 -0.26 0.00 0.00 58.87 59.10 1hjp n SER 190 Cb 0.55 -0.96 0.32 0.00 -0.26 0.00 0.00 64.21 63.87 1hjp n SER 190 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1hjp h SER 191 N 0.12 0.12 -0.22 4.04 4.64 -1.95 -2.41 113.55 117.88 1hjp h SER 191 Ca -0.42 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 1hjp h SER 191 Cb 1.43 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.49 1hjp h SER 191 CO 0.44 0.45 -0.10 -0.33 -0.87 0.00 0.00 176.83 176.42 1hjp h GLU 192 N 0.10 0.46 -0.44 4.77 5.08 -1.90 -0.68 114.58 121.98 1hjp h GLU 192 Ca 0.01 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 1hjp h GLU 192 Cb 0.65 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1hjp h GLU 192 CO 0.05 0.74 -0.09 1.79 -1.00 0.00 0.00 179.01 180.49 1hjp h THR 193 N 0.18 1.25 -0.60 1.13 1.35 -1.90 0.29 112.91 114.61 1hjp h THR 193 Ca 0.05 -1.14 0.04 0.00 -0.55 0.00 0.00 66.41 64.81 1hjp h THR 193 Cb 0.59 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 67.99 1hjp h THR 193 CO 0.03 0.39 0.36 -0.07 -0.25 0.00 0.00 175.52 175.98 1hjp h LEU 194 N 0.71 0.56 -0.44 3.87 3.38 -1.34 0.84 115.31 122.88 1hjp h LEU 194 Ca 0.12 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1hjp h LEU 194 Cb 0.56 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1hjp h LEU 194 CO 0.03 0.38 -0.07 0.40 0.09 0.00 0.00 178.44 179.28 1hjp h ILE 195 N 0.69 1.27 -0.05 1.22 2.04 -0.38 0.12 117.51 122.41 1hjp h ILE 195 Ca 0.25 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1hjp h ILE 195 Cb 0.07 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1hjp h ILE 195 CO -0.13 0.40 0.02 -0.09 0.00 0.00 0.00 178.15 178.35 1hjp h ARG 196 N 0.67 0.07 -0.50 2.37 2.43 0.19 -1.43 114.38 118.18 1hjp h ARG 196 Ca 0.12 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1hjp h ARG 196 Cb 0.59 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1hjp h ARG 196 CO 0.04 0.23 0.17 0.93 -1.51 0.00 0.00 179.97 179.82 1hjp h GLU 197 N -0.10 0.78 -0.24 0.20 4.39 0.73 -1.46 114.58 118.87 1hjp h GLU 197 Ca 0.02 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 1hjp h GLU 197 Cb 0.18 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1hjp h GLU 197 CO -0.00 0.72 -0.19 0.00 -1.16 0.00 0.00 179.01 178.38 1hjp h ALA 198 N 1.02 1.23 0.04 3.43 0.00 -0.71 -2.65 119.26 121.61 1hjp h ALA 198 Ca 0.16 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 1hjp h ALA 198 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1hjp h ALA 198 CO -0.01 0.50 -1.01 1.25 0.00 0.00 0.00 179.25 179.99 1hjp h LEU 199 N 0.39 0.22 -0.54 0.00 5.85 -1.13 -3.30 115.31 116.80 1hjp h LEU 199 Ca 0.07 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 1hjp h LEU 199 Cb 0.56 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1hjp h LEU 199 CO 0.04 1.09 0.02 -0.09 -0.34 0.00 0.00 178.44 179.16 1hjp h ARG 200 N 0.06 0.93 -2.02 1.25 2.43 -1.06 -3.19 114.38 112.78 1hjp h ARG 200 Ca -0.06 -0.28 -0.62 0.00 -0.81 0.00 0.00 59.98 58.21 1hjp h ARG 200 Cb 1.70 -0.09 -0.21 0.00 -0.42 0.00 0.00 29.97 30.95 1hjp h ARG 200 CO 0.15 0.94 0.73 0.00 -1.51 0.00 0.00 179.97 180.27 1hjp n ALA 201 N -2.45 6.49 -1.34 2.80 0.00 -1.02 -3.62 120.51 121.37 1hjp n ALA 201 Ca 0.02 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 49.92 1hjp n ALA 201 Cb 0.31 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1hjp n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hjp n ALA 202 N 0.32 0.00 -0.37 0.00 0.00 -1.21 -4.99 120.51 114.26 1hjp n ALA 202 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1hjp n ALA 202 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1hjp n ALA 202 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78