#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjz n GLN 2 N 0.00 3.10 0.17 -0.41 6.02 -1.26 -4.77 117.38 120.23 1pjz n GLN 2 Ca 0.00 -3.89 -0.07 0.00 -0.01 0.00 0.00 57.00 53.04 1pjz n GLN 2 Cb 0.00 -2.27 -0.03 0.00 1.02 0.00 0.00 30.24 28.96 1pjz n GLN 2 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1pjz h SER 3 N 2.51 -0.37 -2.42 1.08 0.02 -2.04 -3.42 113.55 108.91 1pjz h SER 3 Ca 0.46 0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.85 1pjz h SER 3 Cb 0.74 0.10 -0.38 0.00 0.14 0.00 0.00 62.40 62.99 1pjz h SER 3 CO 1.17 -0.21 -0.91 -1.83 -1.14 0.00 0.00 176.83 173.92 1pjz s GLU 4 N -3.48 0.74 -0.53 3.45 -1.05 -1.26 -5.03 118.70 111.55 1pjz s GLU 4 Ca -0.06 -1.72 0.05 0.00 -0.15 0.00 0.00 54.97 53.09 1pjz s GLU 4 Cb 0.01 -1.32 0.18 0.00 -0.44 0.00 0.00 34.13 32.56 1pjz s GLU 4 CO 0.19 -1.31 0.44 1.55 0.95 0.00 0.00 175.26 177.09 1pjz n VAL 5 N 3.41 0.06 -2.33 1.83 3.14 -1.26 -4.81 118.33 118.37 1pjz n VAL 5 Ca 0.21 -4.10 0.00 0.00 -2.96 0.00 0.00 64.34 57.49 1pjz n VAL 5 Cb 0.43 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.32 1pjz n VAL 5 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1pjz n ASN 6 N 2.24 -4.52 -0.34 6.55 3.02 -1.25 -3.31 115.26 117.65 1pjz n ASN 6 Ca 0.26 0.29 0.18 0.00 -0.03 0.00 0.00 54.58 55.28 1pjz n ASN 6 Cb 0.44 -1.07 0.35 0.00 -0.61 0.00 0.00 39.78 38.88 1pjz n ASN 6 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1pjz n LYS 7 N 1.09 -0.08 -0.09 3.52 -0.00 -1.26 0.21 118.16 121.56 1pjz n LYS 7 Ca 0.00 1.47 -0.10 0.00 -0.00 0.00 0.00 58.31 59.69 1pjz n LYS 7 Cb 0.32 -2.40 -0.03 0.00 -0.00 0.00 0.00 35.03 32.93 1pjz n LYS 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1pjz h ASP 8 N 0.00 0.40 0.05 -5.58 3.32 -1.97 0.49 116.42 113.12 1pjz h ASP 8 Ca 0.65 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.56 1pjz h ASP 8 Cb 1.44 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 1pjz h ASP 8 CO -0.91 0.43 -0.23 0.25 -1.72 0.00 0.00 179.24 177.07 1pjz h LEU 9 N 0.33 -0.69 -1.62 1.55 7.12 0.24 1.33 115.31 123.57 1pjz h LEU 9 Ca 0.10 0.07 0.07 0.00 0.13 0.00 0.00 57.88 58.25 1pjz h LEU 9 Cb 0.15 0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.50 1pjz h LEU 9 CO -0.01 -0.24 0.37 0.06 -0.13 0.00 0.00 178.44 178.49 1pjz h GLN 10 N -0.32 0.44 0.00 1.25 3.07 -1.00 0.19 115.11 118.75 1pjz h GLN 10 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1pjz h GLN 10 Cb 0.32 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.78 1pjz h GLN 10 CO -0.13 0.29 0.00 0.94 0.09 0.00 0.00 178.83 180.02 1pjz n GLN 11 N -4.47 0.00 -0.25 0.06 -0.06 0.17 -0.90 117.38 111.93 1pjz n GLN 11 Ca 0.08 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 55.03 1pjz n GLN 11 Cb 0.29 -0.79 0.00 0.00 -4.06 0.00 0.00 30.24 25.68 1pjz n GLN 11 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 1pjz h TYR 12 N 0.00 -1.06 -0.25 3.69 0.05 0.17 0.19 116.97 119.76 1pjz h TYR 12 Ca 0.00 0.08 0.06 0.00 0.05 0.00 0.00 58.73 58.92 1pjz h TYR 12 Cb 0.00 0.57 -0.08 0.00 1.01 0.00 0.00 36.73 38.23 1pjz h TYR 12 CO 0.00 -0.40 -0.35 2.35 -1.05 0.00 0.00 178.16 178.71 1pjz h TRP 13 N -0.13 -1.00 -1.07 4.88 2.91 -0.71 3.06 115.95 123.89 1pjz h TRP 13 Ca 0.25 0.05 0.29 0.00 1.13 0.00 0.00 58.89 60.60 1pjz h TRP 13 Cb 0.56 0.47 -0.10 0.00 -0.51 0.00 0.00 29.16 29.59 1pjz h TRP 13 CO -0.72 -0.41 0.69 0.77 -1.03 0.00 0.00 178.44 177.74 1pjz h SER 14 N -0.36 0.41 0.00 2.65 0.02 0.12 -0.50 113.55 115.89 1pjz h SER 14 Ca 0.12 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1pjz h SER 14 Cb 0.56 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1pjz h SER 14 CO -0.45 0.05 -0.27 0.28 -1.14 0.00 0.00 176.83 175.31 1pjz h SER 15 N 0.35 0.00 -0.93 3.07 0.02 0.21 -3.32 113.55 112.95 1pjz h SER 15 Ca 0.62 -0.81 0.33 0.00 -0.84 0.00 0.00 61.79 61.08 1pjz h SER 15 Cb 1.64 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 64.01 1pjz h SER 15 CO -0.30 1.06 0.28 0.18 -1.14 0.00 0.00 176.83 176.91 1pjz n LEU 16 N -4.58 0.13 -2.92 5.07 7.99 0.97 -4.78 117.00 118.87 1pjz n LEU 16 Ca -0.14 1.56 -0.13 0.00 -0.01 0.00 0.00 56.01 57.29 1pjz n LEU 16 Cb 0.49 -0.67 0.07 0.00 -0.11 0.00 0.00 43.42 43.19 1pjz n LEU 16 CO 0.28 -1.67 0.08 -3.20 -1.51 0.00 0.00 177.39 171.37 1pjz n ASN 17 N -5.23 -2.24 -4.77 -1.43 2.85 -0.41 -4.92 115.26 99.11 1pjz n ASN 17 Ca 0.29 -0.49 -0.41 0.00 -0.11 0.00 0.00 54.58 53.86 1pjz n ASN 17 Cb 0.98 -4.17 -0.01 0.00 1.24 0.00 0.00 39.78 37.82 1pjz n ASN 17 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1pjz s VAL 18 N -3.29 2.12 0.49 3.44 1.01 -1.26 -4.89 120.40 118.03 1pjz s VAL 18 Ca 0.02 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 1pjz s VAL 18 Cb -0.00 -3.07 -0.13 0.00 0.00 0.00 0.00 36.38 33.18 1pjz s VAL 18 CO 0.58 0.02 0.17 1.33 0.00 0.00 0.00 175.10 177.21 1pjz n VAL 19 N 1.21 0.95 -2.32 2.92 0.24 -1.26 -4.77 118.33 115.31 1pjz n VAL 19 Ca 0.04 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.43 1pjz n VAL 19 Cb 0.39 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.47 1pjz n VAL 19 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pjz s PRO 20 N -1.37 3.10 0.00 7.34 0.04 -1.26 -2.11 135.00 140.73 1pjz s PRO 20 Ca 0.61 0.39 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1pjz s PRO 20 Cb -0.52 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 29.81 1pjz s PRO 20 CO 0.61 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.87 1pjz n GLY 21 N 5.41 0.94 2.84 0.56 0.00 -0.26 -4.98 105.19 109.70 1pjz n GLY 21 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1pjz n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz n ALA 22 N -0.75 -4.12 -2.56 4.61 0.00 -0.90 -3.14 120.51 113.66 1pjz n ALA 22 Ca 0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 1pjz n ALA 22 Cb 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 1pjz n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pjz s ARG 23 N -1.38 4.05 -0.63 0.00 1.81 -0.74 -1.55 118.95 120.52 1pjz s ARG 23 Ca 0.44 1.18 -0.16 0.00 -1.72 0.00 0.00 55.73 55.47 1pjz s ARG 23 Cb -0.30 -3.77 0.15 0.00 -0.45 0.00 0.00 34.95 30.57 1pjz s ARG 23 CO 0.68 -0.93 0.60 0.08 -0.68 0.00 0.00 175.30 175.04 1pjz s VAL 24 N 3.81 5.28 0.46 3.52 1.01 0.12 -1.66 120.40 132.93 1pjz s VAL 24 Ca 0.49 -1.71 -0.17 0.00 0.00 0.00 0.00 61.98 60.59 1pjz s VAL 24 Cb -0.14 -4.39 -0.09 0.00 0.00 0.00 0.00 36.38 31.76 1pjz s VAL 24 CO 0.17 -0.94 0.93 -0.22 0.00 0.00 0.00 175.10 175.03 1pjz s LEU 25 N 1.33 3.78 -0.29 3.92 1.98 0.15 -0.96 118.68 128.59 1pjz s LEU 25 Ca 0.08 1.52 -0.13 0.00 -2.89 0.00 0.00 54.13 52.71 1pjz s LEU 25 Cb -0.24 -4.41 0.12 0.00 0.66 0.00 0.00 46.19 42.32 1pjz s LEU 25 CO -0.00 -0.47 0.74 0.54 -1.89 0.00 0.00 176.35 175.27 1pjz s VAL 26 N -2.41 -0.52 -0.03 1.68 0.11 -0.90 -0.60 120.40 117.72 1pjz s VAL 26 Ca 0.58 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.58 1pjz s VAL 26 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1pjz s VAL 26 CO 0.25 0.00 0.32 1.55 -3.33 0.00 0.00 175.10 173.89 1pjz h PRO 27 N 7.43 -0.17 -1.56 1.54 0.13 -1.81 0.19 132.00 137.75 1pjz h PRO 27 Ca -0.22 0.01 -0.46 0.00 -0.87 0.00 0.00 66.00 64.46 1pjz h PRO 27 Cb 1.15 0.04 -0.34 0.00 0.13 0.00 0.00 31.00 31.98 1pjz h PRO 27 CO 0.13 -0.11 -1.00 1.47 -0.23 0.00 0.00 178.00 178.25 1pjz n LEU 28 N -3.52 -0.18 -0.10 1.56 -0.00 -1.19 -1.82 117.00 111.75 1pjz n LEU 28 Ca -0.02 -4.56 0.04 0.00 -0.00 0.00 0.00 56.01 51.47 1pjz n LEU 28 Cb 0.07 0.73 -0.02 0.00 -0.00 0.00 0.00 43.42 44.19 1pjz n LEU 28 CO 0.05 2.15 0.09 0.00 -0.00 0.00 0.00 177.39 179.68 1pjz n GLY 30 N 1.01 -0.28 0.00 0.00 0.00 -1.24 -4.68 105.19 100.01 1pjz n GLY 30 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1pjz n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pjz n LYS 31 N 3.81 0.00 0.00 1.61 5.02 -1.26 -5.01 118.16 122.33 1pjz n LYS 31 Ca 0.38 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1pjz n LYS 31 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 1pjz n LYS 31 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pjz n SER 32 N 0.00 0.00 -0.03 4.39 7.64 -1.26 -4.99 113.62 119.37 1pjz n SER 32 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1pjz n SER 32 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1pjz n SER 32 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1pjz h GLN 33 N 0.00 -0.04 0.04 1.43 1.08 -1.97 -0.18 115.11 115.48 1pjz h GLN 33 Ca 0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1pjz h GLN 33 Cb 0.00 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 1pjz h GLN 33 CO 0.00 0.65 -0.45 -0.44 -0.95 0.00 0.00 178.83 177.64 1pjz h ASP 34 N -0.81 -1.36 0.86 1.46 3.32 -1.91 0.43 116.42 118.40 1pjz h ASP 34 Ca -0.00 0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1pjz h ASP 34 Cb 0.70 0.52 0.01 0.00 0.22 0.00 0.00 39.33 40.78 1pjz h ASP 34 CO 0.01 -0.49 -0.41 0.00 -1.72 0.00 0.00 179.24 176.63 1pjz h MET 35 N -0.63 -1.11 -1.48 3.56 -0.00 -1.93 -0.68 114.93 112.65 1pjz h MET 35 Ca 0.03 0.08 0.43 0.00 -0.00 0.00 0.00 59.70 60.24 1pjz h MET 35 Cb 0.69 0.25 -0.07 0.00 -0.00 0.00 0.00 31.60 32.46 1pjz h MET 35 CO -0.30 -0.74 1.04 0.66 -0.00 0.00 0.00 176.91 177.57 1pjz h SER 36 N -1.16 0.07 -0.01 -0.10 4.64 -0.88 1.35 113.55 117.46 1pjz h SER 36 Ca -0.12 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1pjz h SER 36 Cb 0.88 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1pjz h SER 36 CO 0.19 -0.02 -0.01 -0.25 -0.87 0.00 0.00 176.83 175.87 1pjz h TRP 37 N 0.04 0.02 0.28 4.77 7.01 0.45 0.09 115.95 128.61 1pjz h TRP 37 Ca 0.74 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.72 1pjz h TRP 37 Cb 2.80 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.86 1pjz h TRP 37 CO -0.00 0.60 -0.13 -0.07 -2.79 0.00 0.00 178.44 176.04 1pjz h LEU 38 N -0.56 -0.32 -0.80 0.65 3.38 0.30 -1.90 115.31 116.07 1pjz h LEU 38 Ca 0.00 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.17 1pjz h LEU 38 Cb 0.60 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 1pjz h LEU 38 CO 0.00 -0.21 0.04 0.77 0.09 0.00 0.00 178.44 179.13 1pjz h SER 39 N -0.40 -0.32 -0.18 -0.43 4.64 -0.15 1.77 113.55 118.48 1pjz h SER 39 Ca -0.04 0.21 0.05 0.00 -0.47 0.00 0.00 61.79 61.54 1pjz h SER 39 Cb 0.29 0.35 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1pjz h SER 39 CO 0.06 -0.19 0.23 1.23 -0.87 0.00 0.00 176.83 177.28 1pjz h GLY 40 N 0.11 0.00 0.81 -0.77 0.00 -0.89 0.26 103.07 102.60 1pjz h GLY 40 Ca 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.66 1pjz h GLY 40 CO -0.70 0.00 -1.44 -1.06 0.00 0.00 0.00 176.54 173.34 1pjz n GLN 41 N -3.65 0.63 0.00 4.80 1.13 0.57 -5.01 117.38 115.85 1pjz n GLN 41 Ca 0.02 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 1pjz n GLN 41 Cb 0.34 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 28.93 1pjz n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pjz n GLY 42 N 1.35 0.79 3.24 1.08 0.00 0.93 -4.91 105.19 107.66 1pjz n GLY 42 Ca -0.08 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1pjz n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pjz s TYR 43 N -1.43 1.25 -1.11 1.61 1.51 -1.22 -1.10 117.35 116.86 1pjz s TYR 43 Ca 0.00 -1.26 -0.13 0.00 -1.01 0.00 0.00 57.07 54.67 1pjz s TYR 43 Cb 0.00 -0.68 0.20 0.00 -0.11 0.00 0.00 41.96 41.37 1pjz s TYR 43 CO 0.00 -0.48 1.26 -1.01 -1.11 0.00 0.00 175.55 174.21 1pjz s HIS 44 N -3.96 3.66 -0.51 2.71 3.76 -0.60 -4.58 115.29 115.78 1pjz s HIS 44 Ca 0.35 -2.16 -0.28 0.00 -0.15 0.00 0.00 55.06 52.82 1pjz s HIS 44 Cb 0.07 -4.15 0.01 0.00 1.11 0.00 0.00 32.58 29.62 1pjz s HIS 44 CO 0.10 -1.27 1.42 0.08 -0.85 0.00 0.00 174.74 174.23 1pjz s VAL 45 N 0.91 3.82 -0.16 -0.90 1.01 -1.26 0.11 120.40 123.93 1pjz s VAL 45 Ca 0.36 0.75 -0.05 0.00 0.00 0.00 0.00 61.98 63.04 1pjz s VAL 45 Cb -0.05 -4.34 0.06 0.00 0.00 0.00 0.00 36.38 32.04 1pjz s VAL 45 CO -0.04 -1.02 0.08 0.54 0.00 0.00 0.00 175.10 174.66 1pjz s VAL 46 N 5.93 -0.05 0.38 2.92 0.11 -0.14 -1.05 120.40 128.50 1pjz s VAL 46 Ca 0.56 -0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 59.35 1pjz s VAL 46 Cb -0.12 -0.57 0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1pjz s VAL 46 CO 0.28 -0.24 0.69 -0.83 -3.33 0.00 0.00 175.10 171.67 1pjz s GLY 47 N 2.12 0.77 0.40 6.54 0.00 0.45 -2.12 107.32 115.49 1pjz s GLY 47 Ca 0.02 -1.03 0.08 0.00 0.00 0.00 0.00 44.72 43.79 1pjz s GLY 47 CO -0.09 -0.55 0.15 0.00 0.00 0.00 0.00 173.10 172.62 1pjz s ALA 48 N -2.46 3.52 -0.32 3.20 0.00 0.68 -0.50 121.76 125.87 1pjz s ALA 48 Ca 0.21 -2.08 0.01 0.00 0.00 0.00 0.00 51.96 50.10 1pjz s ALA 48 Cb -0.04 -0.39 0.10 0.00 0.00 0.00 0.00 23.12 22.80 1pjz s ALA 48 CO 0.15 -0.12 0.08 -2.00 0.00 0.00 0.00 175.76 173.86 1pjz s GLU 49 N -3.87 1.04 -0.74 0.00 -6.30 0.11 -3.16 118.70 105.78 1pjz s GLU 49 Ca 0.40 -1.42 -0.24 0.00 -2.50 0.00 0.00 54.97 51.21 1pjz s GLU 49 Cb 0.03 -2.52 -0.18 0.00 0.00 0.00 0.00 34.13 31.46 1pjz s GLU 49 CO 0.22 -0.97 1.88 1.28 0.02 0.00 0.00 175.26 177.69 1pjz n LEU 50 N 4.59 3.25 -3.68 2.70 7.99 -1.19 0.38 117.00 131.02 1pjz n LEU 50 Ca 0.01 -2.70 -0.10 0.00 -0.01 0.00 0.00 56.01 53.20 1pjz n LEU 50 Cb 0.42 -1.17 -0.10 0.00 -0.11 0.00 0.00 43.42 42.46 1pjz n LEU 50 CO 0.16 -1.08 0.07 -0.55 -1.51 0.00 0.00 177.39 174.48 1pjz s SER 51 N 5.79 -0.50 -0.22 -1.43 0.15 0.07 -4.99 113.70 112.56 1pjz s SER 51 Ca 0.63 0.95 -0.16 0.00 0.70 0.00 0.00 55.95 58.07 1pjz s SER 51 Cb 0.11 0.92 -0.11 0.00 -1.71 0.00 0.00 66.02 65.22 1pjz s SER 51 CO 0.16 -0.20 -0.20 -0.62 1.20 0.00 0.00 173.24 173.58 1pjz n GLU 52 N 4.47 0.55 -0.13 5.44 1.02 -1.26 -3.31 120.64 127.43 1pjz n GLU 52 Ca -0.20 0.36 0.04 0.00 -0.02 0.00 0.00 57.16 57.34 1pjz n GLU 52 Cb 0.54 -1.56 0.36 0.00 -0.02 0.00 0.00 31.44 30.76 1pjz n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pjz h ALA 53 N -0.88 1.66 -0.25 0.62 0.00 -1.98 -0.20 119.26 118.22 1pjz h ALA 53 Ca -0.38 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1pjz h ALA 53 Cb 1.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pjz h ALA 53 CO -0.23 0.27 -0.50 0.00 0.00 0.00 0.00 179.25 178.80 1pjz h ALA 54 N 1.64 0.66 -0.13 0.00 0.00 -1.99 -1.07 119.26 118.37 1pjz h ALA 54 Ca 0.25 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1pjz h ALA 54 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1pjz h ALA 54 CO -0.07 0.68 0.03 0.28 0.00 0.00 0.00 179.25 180.17 1pjz h VAL 55 N 0.54 0.95 -0.28 0.00 2.07 -1.08 0.40 116.25 118.86 1pjz h VAL 55 Ca 0.02 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1pjz h VAL 55 Cb 1.05 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1pjz h VAL 55 CO 0.10 0.02 0.11 -0.33 0.02 0.00 0.00 177.57 177.49 1pjz h GLU 56 N 0.09 0.42 -0.68 1.57 5.08 -1.16 -1.20 114.58 118.70 1pjz h GLU 56 Ca 0.06 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1pjz h GLU 56 Cb 0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1pjz h GLU 56 CO -0.07 0.44 0.45 -0.09 -1.00 0.00 0.00 179.01 178.74 1pjz h ARG 57 N 0.30 0.79 -0.18 2.33 9.65 -0.83 0.13 114.38 126.56 1pjz h ARG 57 Ca 0.09 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1pjz h ARG 57 Cb 0.18 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1pjz h ARG 57 CO -0.01 0.52 -0.01 -0.92 2.80 0.00 0.00 179.97 182.35 1pjz h TYR 58 N 0.81 0.37 0.00 2.20 5.03 0.27 0.20 116.97 125.85 1pjz h TYR 58 Ca 0.27 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.47 1pjz h TYR 58 Cb 0.07 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 1pjz h TYR 58 CO -0.00 0.56 -0.19 0.74 -1.32 0.00 0.00 178.16 177.95 1pjz h PHE 59 N 0.07 0.00 0.15 -3.82 0.04 -0.61 -0.11 116.94 112.67 1pjz h PHE 59 Ca 0.05 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.52 1pjz h PHE 59 Cb 0.42 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.58 1pjz h PHE 59 CO 0.04 0.19 -1.44 0.00 -0.60 0.00 0.00 178.31 176.50 1pjz h THR 60 N 0.00 1.28 -0.22 -1.55 1.03 -0.50 0.43 112.91 113.38 1pjz h THR 60 Ca -0.00 -2.85 -0.20 0.00 -0.01 0.00 0.00 66.41 63.35 1pjz h THR 60 Cb 0.55 2.88 0.00 0.00 -1.07 0.00 0.00 68.15 70.51 1pjz h THR 60 CO 0.02 0.85 -0.65 -0.33 -0.01 0.00 0.00 175.52 175.40 1pjz h GLU 61 N 0.09 0.82 0.10 0.00 5.08 -0.29 -3.26 114.58 117.11 1pjz h GLU 61 Ca -0.22 -0.58 -0.30 0.00 -1.00 0.00 0.00 59.36 57.26 1pjz h GLU 61 Cb 2.04 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.36 1pjz h GLU 61 CO 0.20 1.20 -1.55 0.00 -1.00 0.00 0.00 179.01 177.85 1pjz h ARG 62 N 0.60 0.21 -1.92 2.33 3.08 -1.13 -3.49 114.38 114.06 1pjz h ARG 62 Ca -0.01 -0.36 -0.08 0.00 0.07 0.00 0.00 59.98 59.60 1pjz h ARG 62 Cb 1.26 0.13 0.03 0.00 0.08 0.00 0.00 29.97 31.47 1pjz h ARG 62 CO 0.14 1.05 -0.14 0.41 -1.07 0.00 0.00 179.97 180.36 1pjz n GLY 63 N 1.66 0.64 0.38 0.04 0.00 0.15 -4.83 105.19 103.24 1pjz n GLY 63 Ca -0.17 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1pjz n GLY 63 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pjz n GLU 64 N -1.41 -1.02 0.00 1.61 1.02 -1.00 -5.03 120.64 114.82 1pjz n GLU 64 Ca -0.00 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1pjz n GLU 64 Cb 0.51 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 1pjz n GLU 64 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pjz n GLN 65 N -1.66 0.00 -0.71 3.49 1.13 -1.26 -5.13 117.38 113.24 1pjz n GLN 65 Ca 0.00 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 1pjz n GLN 65 Cb 0.10 0.00 0.11 0.00 0.11 0.00 0.00 30.24 30.56 1pjz n GLN 65 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1pjz n PRO 66 N 0.00 -1.31 -3.19 -1.09 -0.04 -1.26 -5.00 135.00 123.11 1pjz n PRO 66 Ca 0.00 -0.91 -0.42 0.00 -0.04 0.00 0.00 63.50 62.13 1pjz n PRO 66 Cb 0.00 -0.72 -0.07 0.00 -0.04 0.00 0.00 33.50 32.67 1pjz n PRO 66 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1pjz s HIS 67 N -2.18 3.15 -0.24 0.54 3.76 -0.38 -4.93 115.29 115.01 1pjz s HIS 67 Ca 0.35 0.14 -0.07 0.00 -0.15 0.00 0.00 55.06 55.33 1pjz s HIS 67 Cb -0.02 -3.06 -0.03 0.00 1.11 0.00 0.00 32.58 30.58 1pjz s HIS 67 CO 0.26 -0.64 0.06 0.42 -0.85 0.00 0.00 174.74 173.99 1pjz s ILE 68 N 2.54 4.28 0.12 0.60 -1.09 -1.26 -1.30 121.20 125.09 1pjz s ILE 68 Ca 0.20 -0.19 0.10 0.00 -2.23 0.00 0.00 60.65 58.53 1pjz s ILE 68 Cb -0.15 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 1pjz s ILE 68 CO 0.15 0.35 -0.23 0.28 -1.23 0.00 0.00 174.94 174.26 1pjz s THR 69 N 1.52 1.98 -0.35 2.92 -1.32 -0.31 -4.96 115.64 115.11 1pjz s THR 69 Ca 0.06 -1.68 -0.06 0.00 -1.21 0.00 0.00 61.69 58.79 1pjz s THR 69 Cb -0.15 -1.79 0.05 0.00 -1.51 0.00 0.00 72.50 69.10 1pjz s THR 69 CO 0.03 -0.02 0.12 -0.55 -2.21 0.00 0.00 174.62 171.99 1pjz s SER 70 N -2.07 5.34 -1.00 8.08 0.15 -1.26 -0.71 113.70 122.22 1pjz s SER 70 Ca 0.11 -1.23 -0.14 0.00 0.70 0.00 0.00 55.95 55.39 1pjz s SER 70 Cb -0.10 -1.87 0.20 0.00 -1.71 0.00 0.00 66.02 62.54 1pjz s SER 70 CO 0.05 -0.36 1.08 -1.58 1.20 0.00 0.00 173.24 173.64 1pjz s GLN 71 N 1.39 3.85 1.70 5.44 -0.44 0.17 -4.90 119.66 126.87 1pjz s GLN 71 Ca -0.01 -2.50 0.00 0.00 -2.50 0.00 0.00 55.36 50.36 1pjz s GLN 71 Cb -0.20 -4.72 0.00 0.00 -1.64 0.00 0.00 33.01 26.45 1pjz s GLN 71 CO 0.02 -1.50 0.00 0.41 0.50 0.00 0.00 175.29 174.72 1pjz n GLY 72 N 4.08 0.21 1.01 2.59 0.00 -1.26 0.34 105.19 112.15 1pjz n GLY 72 Ca 0.24 0.62 -0.02 0.00 0.00 0.00 0.00 46.02 46.86 1pjz n GLY 72 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pjz n ASP 73 N 2.69 2.56 -3.81 1.61 2.03 -1.26 -5.02 116.55 115.36 1pjz n ASP 73 Ca 0.00 -3.86 -0.13 0.00 0.52 0.00 0.00 54.79 51.32 1pjz n ASP 73 Cb 0.00 -0.53 -0.07 0.00 -0.72 0.00 0.00 41.12 39.80 1pjz n ASP 73 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1pjz s PHE 74 N -3.32 1.02 0.11 -0.67 0.08 0.15 -5.02 117.98 110.33 1pjz s PHE 74 Ca 0.42 -1.23 0.04 0.00 0.12 0.00 0.00 56.93 56.28 1pjz s PHE 74 Cb 0.39 -0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.52 1pjz s PHE 74 CO -0.04 -0.88 -0.10 0.21 -0.10 0.00 0.00 175.22 174.31 1pjz s LYS 75 N -3.77 0.92 -0.16 0.44 2.20 -1.26 0.46 119.74 118.57 1pjz s LYS 75 Ca 0.33 -1.25 -0.04 0.00 -0.36 0.00 0.00 55.97 54.65 1pjz s LYS 75 Cb 0.03 -0.58 0.07 0.00 -1.51 0.00 0.00 37.83 35.84 1pjz s LYS 75 CO 0.15 0.08 0.15 0.14 -0.36 0.00 0.00 175.35 175.52 1pjz s VAL 76 N -2.70 -0.21 -0.38 4.02 -7.23 0.11 -1.07 120.40 112.94 1pjz s VAL 76 Ca 0.09 -0.02 -0.06 0.00 -1.81 0.00 0.00 61.98 60.18 1pjz s VAL 76 Cb -0.01 -0.54 0.07 0.00 0.56 0.00 0.00 36.38 36.46 1pjz s VAL 76 CO 0.00 -0.15 0.17 -0.47 -0.31 0.00 0.00 175.10 174.34 1pjz s TYR 77 N 2.24 3.34 -0.18 2.82 5.04 0.61 -1.17 117.35 130.05 1pjz s TYR 77 Ca 0.04 -1.68 -0.09 0.00 -2.44 0.00 0.00 57.07 52.90 1pjz s TYR 77 Cb -0.15 -2.69 -0.05 0.00 0.35 0.00 0.00 41.96 39.42 1pjz s TYR 77 CO -0.09 -0.82 0.13 0.00 -1.34 0.00 0.00 175.55 173.42 1pjz s ALA 78 N 1.35 3.72 0.17 3.97 0.00 -0.42 -1.12 121.76 129.43 1pjz s ALA 78 Ca 0.02 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1pjz s ALA 78 Cb -0.21 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1pjz s ALA 78 CO 0.01 0.26 0.29 0.00 0.00 0.00 0.00 175.76 176.32 1pjz s ALA 79 N 0.07 3.93 -0.52 0.00 0.00 -1.25 -1.25 121.76 122.75 1pjz s ALA 79 Ca 0.09 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.68 1pjz s ALA 79 Cb -0.11 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.28 1pjz s ALA 79 CO -0.01 0.46 1.47 -1.25 0.00 0.00 0.00 175.76 176.44 1pjz s PRO 80 N -3.41 3.31 0.00 0.00 0.04 -1.26 -3.39 135.00 130.29 1pjz s PRO 80 Ca 0.34 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1pjz s PRO 80 Cb -0.10 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1pjz s PRO 80 CO 0.28 -1.92 0.00 0.41 0.04 0.00 0.00 177.00 175.82 1pjz n GLY 81 N 5.27 3.41 3.79 0.56 0.00 -1.26 -5.10 105.19 111.86 1pjz n GLY 81 Ca 0.14 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 1pjz n GLY 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pjz s ILE 82 N 0.00 3.34 -0.75 -0.61 -1.16 -1.22 -5.01 121.20 115.80 1pjz s ILE 82 Ca 0.00 -1.54 0.00 0.00 -0.51 0.00 0.00 60.65 58.60 1pjz s ILE 82 Cb 0.00 -3.09 0.36 0.00 0.61 0.00 0.00 42.46 40.35 1pjz s ILE 82 CO 0.00 -0.19 1.70 -0.62 -2.81 0.00 0.00 174.94 173.02 1pjz n GLU 83 N -1.24 3.28 -3.60 3.50 1.02 -0.22 -4.04 120.64 119.35 1pjz n GLU 83 Ca -0.03 -3.99 -0.40 0.00 -0.02 0.00 0.00 57.16 52.72 1pjz n GLU 83 Cb 0.60 -2.29 -0.11 0.00 -0.02 0.00 0.00 31.44 29.62 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pjz s ILE 84 N -5.08 4.72 -0.45 -3.67 -1.09 -1.25 -0.41 121.20 113.97 1pjz s ILE 84 Ca 0.49 -0.62 -0.14 0.00 -2.23 0.00 0.00 60.65 58.15 1pjz s ILE 84 Cb 0.39 -3.53 0.07 0.00 -1.58 0.00 0.00 42.46 37.81 1pjz s ILE 84 CO -0.31 -0.12 0.35 -1.66 -1.23 0.00 0.00 174.94 171.97 1pjz s TRP 85 N 1.60 3.27 0.27 3.97 1.48 0.34 -3.67 118.94 126.21 1pjz s TRP 85 Ca 0.04 -1.08 -0.29 0.00 -1.06 0.00 0.00 56.10 53.70 1pjz s TRP 85 Cb -0.18 -3.06 -0.09 0.00 -1.16 0.00 0.00 33.47 28.98 1pjz s TRP 85 CO 0.07 -0.80 1.10 0.00 -4.06 0.00 0.00 176.95 173.27 1pjz n GLY 87 N 1.28 0.85 3.46 0.00 0.00 0.16 -0.28 105.19 110.66 1pjz n GLY 87 Ca -0.01 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 1pjz n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pjz s ASP 88 N -4.00 3.06 -0.41 1.61 2.15 -0.23 -0.75 116.67 118.09 1pjz s ASP 88 Ca 0.00 -1.17 -0.12 0.00 0.43 0.00 0.00 52.55 51.70 1pjz s ASP 88 Cb 0.00 -0.22 0.05 0.00 -0.30 0.00 0.00 42.92 42.45 1pjz s ASP 88 CO 0.00 -0.27 0.27 0.12 -0.17 0.00 0.00 175.17 175.12 1pjz s PHE 89 N -2.87 3.27 0.00 -5.34 2.19 -1.26 -4.65 117.98 109.32 1pjz s PHE 89 Ca 0.30 -1.12 0.00 0.00 0.33 0.00 0.00 56.93 56.44 1pjz s PHE 89 Cb 0.02 -2.76 0.00 0.00 -1.31 0.00 0.00 43.02 38.97 1pjz s PHE 89 CO 0.13 -0.74 0.00 1.19 1.83 0.00 0.00 175.22 177.63 1pjz n PHE 90 N 5.02 0.00 -0.84 10.12 3.72 -1.26 -5.01 117.46 129.21 1pjz n PHE 90 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1pjz n PHE 90 Cb 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pjz n ALA 91 N 0.00 0.94 -2.20 4.37 0.00 -1.26 -5.05 120.51 117.32 1pjz n ALA 91 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 1pjz n ALA 91 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1pjz n ALA 91 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1pjz s LEU 92 N -0.11 1.85 -0.58 0.00 -0.00 -1.26 -5.11 118.68 113.46 1pjz s LEU 92 Ca 0.00 -1.22 -0.02 0.00 -0.00 0.00 0.00 54.13 52.89 1pjz s LEU 92 Cb 0.00 0.16 0.15 0.00 -0.00 0.00 0.00 46.19 46.50 1pjz s LEU 92 CO 0.00 -0.68 0.39 -0.89 -0.00 0.00 0.00 176.35 175.17 1pjz s THR 93 N -3.89 3.58 0.65 5.48 2.01 -1.26 -4.91 115.64 117.30 1pjz s THR 93 Ca 0.26 -2.84 0.14 0.00 0.31 0.00 0.00 61.69 59.56 1pjz s THR 93 Cb 0.07 -3.36 0.14 0.00 0.01 0.00 0.00 72.50 69.37 1pjz s THR 93 CO 0.04 -0.84 1.44 0.00 -0.69 0.00 0.00 174.62 174.56 1pjz h ALA 94 N 7.16 1.67 0.00 7.40 0.00 -1.70 0.61 119.26 134.40 1pjz h ALA 94 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1pjz h ALA 94 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1pjz h ALA 94 CO 0.71 -0.67 -0.51 -0.09 0.00 0.00 0.00 179.25 178.68 1pjz h ARG 95 N 0.00 0.00 -0.30 0.00 2.43 0.51 0.55 114.38 117.57 1pjz h ARG 95 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1pjz h ARG 95 Cb 1.35 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.86 1pjz h ARG 95 CO 0.00 0.82 0.04 -0.44 -1.51 0.00 0.00 179.97 178.88 1pjz h ASP 96 N -1.00 -0.04 0.67 -3.80 3.32 -0.16 0.77 116.42 116.18 1pjz h ASP 96 Ca -0.13 0.06 -0.27 0.00 0.02 0.00 0.00 57.03 56.71 1pjz h ASP 96 Cb 0.98 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1pjz h ASP 96 CO -0.08 0.02 -1.26 0.16 -1.72 0.00 0.00 179.24 176.36 1pjz h ILE 97 N 0.14 1.46 0.00 0.35 -2.65 -0.99 -3.38 117.51 112.44 1pjz h ILE 97 Ca 0.14 -3.08 0.00 0.00 1.03 0.00 0.00 64.86 62.95 1pjz h ILE 97 Cb 0.17 2.88 0.00 0.00 -2.05 0.00 0.00 36.82 37.82 1pjz h ILE 97 CO -0.21 0.89 0.00 0.61 0.03 0.00 0.00 178.15 179.47 1pjz n GLY 98 N 1.52 -3.00 5.02 0.16 0.00 0.19 -4.67 105.19 104.41 1pjz n GLY 98 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1pjz n GLY 98 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pjz n HIS 99 N -0.90 0.00 -3.78 1.61 8.25 0.21 -4.37 115.22 116.24 1pjz n HIS 99 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1pjz n HIS 99 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pjz n ALA 101 N 2.63 0.00 -3.63 0.00 0.00 0.05 -1.79 120.51 117.77 1pjz n ALA 101 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1pjz n ALA 101 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1pjz n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz s ALA 102 N -1.00 -1.12 -0.21 0.00 0.00 -0.67 -0.77 121.76 118.00 1pjz s ALA 102 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 1pjz s ALA 102 Cb 0.00 0.88 0.11 0.00 0.00 0.00 0.00 23.12 24.11 1pjz s ALA 102 CO 0.00 -0.94 0.33 -0.59 0.00 0.00 0.00 175.76 174.55 1pjz s PHE 103 N -3.90 -0.62 0.00 0.00 -0.12 -0.47 -0.67 117.98 112.21 1pjz s PHE 103 Ca 0.11 0.81 -0.17 0.00 -0.05 0.00 0.00 56.93 57.62 1pjz s PHE 103 Cb -0.04 -0.04 -0.06 0.00 -0.63 0.00 0.00 43.02 42.25 1pjz s PHE 103 CO 0.03 -0.59 0.49 -0.47 -0.05 0.00 0.00 175.22 174.63 1pjz s TYR 104 N 2.48 3.72 0.04 3.49 6.14 0.23 -1.06 117.35 132.38 1pjz s TYR 104 Ca 0.07 1.09 0.07 0.00 0.64 0.00 0.00 57.07 58.94 1pjz s TYR 104 Cb -0.14 -2.44 -0.02 0.00 0.42 0.00 0.00 41.96 39.78 1pjz s TYR 104 CO -0.13 0.52 -0.19 0.34 0.64 0.00 0.00 175.55 176.73 1pjz s ASP 105 N -0.71 2.23 0.16 4.32 -1.08 -0.36 -3.67 116.67 117.55 1pjz s ASP 105 Ca 0.27 -0.49 0.05 0.00 -0.52 0.00 0.00 52.55 51.85 1pjz s ASP 105 Cb -0.18 -0.18 -0.04 0.00 -1.46 0.00 0.00 42.92 41.07 1pjz s ASP 105 CO 0.15 0.13 0.15 -0.60 0.52 0.00 0.00 175.17 175.52 1pjz s ARG 106 N -1.10 2.96 -0.85 4.34 6.06 -1.26 -0.76 118.95 128.33 1pjz s ARG 106 Ca 0.06 -0.83 -0.28 0.00 -2.50 0.00 0.00 55.73 52.17 1pjz s ARG 106 Cb -0.08 -2.68 -0.18 0.00 0.06 0.00 0.00 34.95 32.06 1pjz s ARG 106 CO 0.01 0.49 2.59 0.00 -2.50 0.00 0.00 175.30 175.90 1pjz n ALA 107 N -0.33 0.47 0.00 6.12 0.00 0.69 -4.52 120.51 122.93 1pjz n ALA 107 Ca -0.08 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1pjz n ALA 107 Cb 0.54 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1pjz n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz n ALA 108 N 12.00 2.10 0.19 0.00 0.00 -1.26 -4.72 120.51 128.82 1pjz n ALA 108 Ca 0.57 0.00 0.03 0.00 0.00 0.00 0.00 53.44 54.05 1pjz n ALA 108 Cb 0.19 0.38 0.41 0.00 0.00 0.00 0.00 19.45 20.43 1pjz n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz h MET 109 N 0.00 0.03 0.00 0.00 -0.00 -1.88 -0.43 114.93 112.65 1pjz h MET 109 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1pjz h MET 109 Cb 0.75 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.35 1pjz h MET 109 CO 0.00 0.31 0.00 0.44 -0.00 0.00 0.00 176.91 177.66 1pjz n ILE 110 N -4.19 0.96 -0.10 -0.10 -0.00 -1.26 -2.30 119.36 112.36 1pjz n ILE 110 Ca -0.02 0.24 -0.13 0.00 -0.00 0.00 0.00 62.75 62.84 1pjz n ILE 110 Cb 0.34 -0.99 -0.13 0.00 -0.00 0.00 0.00 39.64 38.86 1pjz n ILE 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pjz n ALA 111 N -1.51 1.52 -2.27 -1.28 0.00 -0.28 0.19 120.51 116.88 1pjz n ALA 111 Ca 0.04 -1.10 -0.25 0.00 0.00 0.00 0.00 53.44 52.12 1pjz n ALA 111 Cb 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.55 1pjz n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pjz s LEU 112 N -5.88 3.56 0.00 0.00 1.02 -0.53 -4.94 118.68 111.91 1pjz s LEU 112 Ca -0.21 0.62 0.00 0.00 0.02 0.00 0.00 54.13 54.56 1pjz s LEU 112 Cb 0.07 -3.50 0.00 0.00 0.02 0.00 0.00 46.19 42.78 1pjz s LEU 112 CO 0.64 -0.73 0.00 -0.81 0.02 0.00 0.00 176.35 175.47 1pjz n PRO 113 N -2.25 1.78 -0.01 1.29 -0.04 -1.26 -4.80 135.00 129.70 1pjz n PRO 113 Ca 0.01 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1pjz n PRO 113 Cb 0.57 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1pjz n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pjz h ALA 114 N -2.00 0.00 -0.95 0.55 0.00 -1.98 -2.86 119.26 112.02 1pjz h ALA 114 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1pjz h ALA 114 Cb 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 1pjz h ALA 114 CO 0.00 0.03 -0.57 0.22 0.00 0.00 0.00 179.25 178.93 1pjz h ASP 115 N -0.20 -2.09 -0.62 0.00 1.82 -1.99 0.60 116.42 113.94 1pjz h ASP 115 Ca 0.00 0.32 0.12 0.00 -0.39 0.00 0.00 57.03 57.08 1pjz h ASP 115 Cb 0.03 0.92 -0.09 0.00 0.68 0.00 0.00 39.33 40.87 1pjz h ASP 115 CO 0.00 -0.23 0.10 -0.03 -1.61 0.00 0.00 179.24 177.48 1pjz h MET 116 N -0.01 0.22 0.27 0.28 4.05 -1.96 -0.98 114.93 116.80 1pjz h MET 116 Ca 0.15 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1pjz h MET 116 Cb 0.40 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 1pjz h MET 116 CO -0.90 0.14 -0.48 -0.09 0.23 0.00 0.00 176.91 175.81 1pjz h ARG 117 N 0.22 -0.77 -1.02 0.39 1.12 0.31 0.47 114.38 115.10 1pjz h ARG 117 Ca 0.33 0.05 0.26 0.00 -1.11 0.00 0.00 59.98 59.51 1pjz h ARG 117 Cb 0.52 0.18 -0.12 0.00 -0.01 0.00 0.00 29.97 30.54 1pjz h ARG 117 CO -0.45 -0.52 0.62 0.93 -3.11 0.00 0.00 179.97 177.45 1pjz h GLU 118 N -0.80 0.49 0.00 0.20 5.08 -0.15 1.56 114.58 120.95 1pjz h GLU 118 Ca -0.03 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1pjz h GLU 118 Cb 0.75 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1pjz h GLU 118 CO -0.17 0.32 -0.33 0.00 -1.00 0.00 0.00 179.01 177.83 1pjz h ARG 119 N 0.50 0.00 0.03 2.33 2.47 0.14 -0.75 114.38 119.10 1pjz h ARG 119 Ca 0.64 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.36 1pjz h ARG 119 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 1pjz h ARG 119 CO -0.43 0.33 -0.01 -0.92 0.56 0.00 0.00 179.97 179.50 1pjz h TYR 120 N 0.00 -0.04 -0.76 3.04 5.03 0.68 -0.70 116.97 124.23 1pjz h TYR 120 Ca -0.00 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1pjz h TYR 120 Cb 0.89 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.14 1pjz h TYR 120 CO 0.00 0.59 0.41 -0.39 -1.32 0.00 0.00 178.16 177.45 1pjz h VAL 121 N -0.95 1.23 -0.10 1.81 -1.51 -0.47 0.36 116.25 116.62 1pjz h VAL 121 Ca -0.00 -0.59 -0.02 0.00 -1.23 0.00 0.00 66.70 64.86 1pjz h VAL 121 Cb 0.65 0.24 -0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1pjz h VAL 121 CO 0.01 0.26 0.00 0.06 -1.23 0.00 0.00 177.57 176.67 1pjz h GLN 122 N 1.05 0.17 -0.69 5.19 3.07 -1.25 0.15 115.11 122.81 1pjz h GLN 122 Ca 0.27 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 58.95 1pjz h GLN 122 Cb 0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.56 1pjz h GLN 122 CO -0.04 0.42 0.41 0.45 0.09 0.00 0.00 178.83 180.16 1pjz h HIS 123 N -0.10 0.90 0.65 0.06 3.86 -0.83 0.19 115.15 119.89 1pjz h HIS 123 Ca 0.03 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1pjz h HIS 123 Cb 0.34 -0.30 0.01 0.00 1.06 0.00 0.00 27.41 28.52 1pjz h HIS 123 CO 0.03 0.60 -0.31 1.25 0.86 0.00 0.00 177.93 180.36 1pjz h LEU 124 N 0.94 -0.74 -2.22 2.43 7.12 -0.05 -1.48 115.31 121.31 1pjz h LEU 124 Ca 0.25 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.31 1pjz h LEU 124 Cb -0.03 0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 40.29 1pjz h LEU 124 CO -0.05 -0.38 0.26 1.05 -0.13 0.00 0.00 178.44 179.20 1pjz h GLU 125 N -1.18 0.00 0.34 1.25 -0.00 -0.54 0.45 114.58 114.89 1pjz h GLU 125 Ca -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.25 1pjz h GLU 125 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.43 1pjz h GLU 125 CO 0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 179.01 178.99 1pjz h ALA 126 N 1.58 -0.55 -0.30 1.06 0.00 -0.34 -3.20 119.26 117.52 1pjz h ALA 126 Ca 0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1pjz h ALA 126 Cb 0.57 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1pjz h ALA 126 CO -0.00 -0.51 0.14 1.47 0.00 0.00 0.00 179.25 180.34 1pjz n LEU 127 N -4.48 3.66 -4.99 0.00 -0.00 -0.58 -4.88 117.00 105.73 1pjz n LEU 127 Ca -0.06 -1.89 -0.23 0.00 -0.00 0.00 0.00 56.01 53.83 1pjz n LEU 127 Cb 0.18 -0.60 0.10 0.00 -0.00 0.00 0.00 43.42 43.10 1pjz n LEU 127 CO 0.14 0.56 0.54 -0.04 -0.00 0.00 0.00 177.39 178.59 1pjz s MET 128 N -1.40 1.75 0.00 1.47 -1.94 0.15 0.32 119.30 119.65 1pjz s MET 128 Ca 0.21 -1.10 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 1pjz s MET 128 Cb 0.17 -2.35 0.00 0.00 2.01 0.00 0.00 34.83 34.66 1pjz s MET 128 CO 0.05 -1.39 0.00 -0.35 -0.01 0.00 0.00 175.02 173.32 1pjz n PRO 129 N -2.79 0.69 -0.05 2.03 -0.04 -1.19 -3.63 135.00 130.01 1pjz n PRO 129 Ca 0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 1pjz n PRO 129 Cb 0.61 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.03 1pjz n PRO 129 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pjz n GLN 130 N -0.26 0.23 -3.71 0.54 10.64 -0.16 -4.84 117.38 119.82 1pjz n GLN 130 Ca 0.00 0.08 -0.30 0.00 -1.83 0.00 0.00 57.00 54.96 1pjz n GLN 130 Cb 0.00 -0.97 -0.15 0.00 -0.86 0.00 0.00 30.24 28.26 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pjz s ALA 131 N -2.19 1.35 0.14 2.61 0.00 -0.72 -3.96 121.76 119.00 1pjz s ALA 131 Ca -0.14 -1.50 -0.19 0.00 0.00 0.00 0.00 51.96 50.13 1pjz s ALA 131 Cb 0.05 -1.55 0.05 0.00 0.00 0.00 0.00 23.12 21.67 1pjz s ALA 131 CO 0.20 -1.62 0.49 0.00 0.00 0.00 0.00 175.76 174.83 1pjz s SER 133 N -2.78 6.01 0.13 0.00 1.04 0.05 0.28 113.70 118.42 1pjz s SER 133 Ca 0.02 -1.11 -0.24 0.00 0.48 0.00 0.00 55.95 55.10 1pjz s SER 133 Cb 0.01 -2.13 -0.07 0.00 0.10 0.00 0.00 66.02 63.92 1pjz s SER 133 CO -0.12 -0.51 0.73 -0.83 0.98 0.00 0.00 173.24 173.49 1pjz s GLY 134 N 1.99 2.86 -0.32 7.32 0.00 0.20 -1.37 107.32 118.00 1pjz s GLY 134 Ca 0.04 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 45.03 1pjz s GLY 134 CO 0.08 0.81 0.12 -2.27 0.00 0.00 0.00 173.10 171.84 1pjz s LEU 135 N -1.02 1.90 0.03 0.66 2.96 -0.23 0.22 118.68 123.20 1pjz s LEU 135 Ca 0.35 -1.68 -0.23 0.00 -0.22 0.00 0.00 54.13 52.34 1pjz s LEU 135 Cb -0.22 -0.76 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 1pjz s LEU 135 CO 0.24 -0.40 0.71 -0.22 -1.32 0.00 0.00 176.35 175.36 1pjz s LEU 136 N 1.58 4.43 -0.12 -0.68 0.20 0.70 -1.23 118.68 123.56 1pjz s LEU 136 Ca 0.11 1.35 0.03 0.00 0.69 0.00 0.00 54.13 56.31 1pjz s LEU 136 Cb -0.18 -3.13 0.01 0.00 -0.43 0.00 0.00 46.19 42.46 1pjz s LEU 136 CO -0.24 0.04 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.00 1pjz s ILE 137 N -0.07 2.04 0.34 6.68 1.09 0.06 0.25 121.20 131.59 1pjz s ILE 137 Ca 0.36 -0.98 0.08 0.00 -1.10 0.00 0.00 60.65 59.01 1pjz s ILE 137 Cb -0.20 -1.79 -0.03 0.00 -1.06 0.00 0.00 42.46 39.39 1pjz s ILE 137 CO 0.21 0.55 0.28 0.35 -0.10 0.00 0.00 174.94 176.23 1pjz n THR 138 N 3.88 0.00 -4.11 2.92 -2.24 0.17 0.25 114.28 115.14 1pjz n THR 138 Ca -0.20 -2.48 -0.13 0.00 -2.27 0.00 0.00 64.05 58.97 1pjz n THR 138 Cb 0.52 1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 69.91 1pjz n THR 138 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1pjz s LEU 139 N 0.00 0.92 0.18 3.22 1.02 -1.26 -0.18 118.68 122.58 1pjz s LEU 139 Ca 0.40 -1.34 0.00 0.00 0.02 0.00 0.00 54.13 53.21 1pjz s LEU 139 Cb 0.02 1.22 0.00 0.00 0.02 0.00 0.00 46.19 47.45 1pjz s LEU 139 CO 0.28 -1.13 0.00 -1.84 0.02 0.00 0.00 176.35 173.68 1pjz n GLU 140 N -0.45 0.00 0.00 1.70 0.28 -0.50 -3.45 120.64 118.21 1pjz n GLU 140 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1pjz n GLU 140 Cb 0.63 -0.22 0.00 0.00 1.43 0.00 0.00 31.44 33.28 1pjz n GLU 140 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1pjz n TYR 141 N -3.37 0.00 -0.61 -1.84 4.02 -1.24 -4.55 117.16 109.57 1pjz n TYR 141 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 1pjz n TYR 141 Cb 0.00 -0.06 -0.00 0.00 -0.02 0.00 0.00 39.34 39.26 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1pjz n ASP 142 N -1.18 -1.32 0.00 7.72 5.75 -1.26 -4.64 116.55 121.62 1pjz n ASP 142 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.17 1pjz n ASP 142 Cb 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 1pjz n ASP 142 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pjz n GLN 143 N 0.62 0.00 -2.59 0.11 -0.00 -1.26 -4.03 117.38 110.23 1pjz n GLN 143 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.92 1pjz n GLN 143 Cb 0.18 0.00 0.02 0.00 -0.00 0.00 0.00 30.24 30.45 1pjz n GLN 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pjz n ALA 144 N 0.00 3.83 0.00 2.61 0.00 -1.26 -4.56 120.51 121.13 1pjz n ALA 144 Ca 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.02 1pjz n ALA 144 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1pjz n ALA 144 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pjz n LEU 145 N -0.30 0.00 -4.90 0.00 -0.00 -1.26 -5.14 117.00 105.39 1pjz n LEU 145 Ca 0.19 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.92 1pjz n LEU 145 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.20 1pjz n LEU 145 CO 0.26 0.00 0.42 -0.22 -0.00 0.00 0.00 177.39 177.86 1pjz s LEU 146 N 0.00 3.69 -0.50 1.47 0.20 -1.26 -4.79 118.68 117.49 1pjz s LEU 146 Ca 0.00 0.94 -0.28 0.00 0.69 0.00 0.00 54.13 55.48 1pjz s LEU 146 Cb 0.00 -3.87 0.00 0.00 -0.43 0.00 0.00 46.19 41.89 1pjz s LEU 146 CO 0.00 -0.52 1.56 -1.61 -0.29 0.00 0.00 176.35 175.49 1pjz s GLU 147 N -4.53 3.23 0.00 1.98 0.41 -1.26 -4.59 118.70 113.94 1pjz s GLU 147 Ca 0.48 0.74 0.00 0.00 -0.41 0.00 0.00 54.97 55.77 1pjz s GLU 147 Cb -0.10 -4.17 0.00 0.00 -1.78 0.00 0.00 34.13 28.08 1pjz s GLU 147 CO 0.42 -2.01 0.00 0.41 -0.49 0.00 0.00 175.26 173.59 1pjz n GLY 148 N 5.34 -1.20 3.62 -1.39 0.00 -1.26 -4.94 105.19 105.36 1pjz n GLY 148 Ca 0.16 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 1pjz n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjz s PRO 149 N -3.69 3.75 0.00 1.61 0.04 -1.26 -4.64 135.00 130.82 1pjz s PRO 149 Ca 0.00 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1pjz s PRO 149 Cb 0.00 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 1pjz s PRO 149 CO 0.00 -1.33 1.19 -1.25 0.04 0.00 0.00 177.00 175.65 1pjz s PRO 150 N 4.55 4.40 -0.05 0.56 0.04 -1.24 -4.35 135.00 138.90 1pjz s PRO 150 Ca 0.60 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.38 1pjz s PRO 150 Cb -0.16 -3.46 0.18 0.00 0.04 0.00 0.00 34.50 31.10 1pjz s PRO 150 CO 0.28 -0.34 0.83 0.34 0.04 0.00 0.00 177.00 178.14 1pjz n PHE 151 N 4.57 0.45 -4.22 0.56 7.35 0.51 -4.82 117.46 121.86 1pjz n PHE 151 Ca 0.10 -0.16 -0.35 0.00 -0.76 0.00 0.00 57.45 56.28 1pjz n PHE 151 Cb 0.46 -0.17 -0.06 0.00 0.35 0.00 0.00 39.48 40.06 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1pjz n SER 152 N 0.13 -0.59 -4.11 -2.13 3.41 -1.22 -4.59 113.62 104.52 1pjz n SER 152 Ca 0.06 -1.26 -0.59 0.00 -0.26 0.00 0.00 58.87 56.82 1pjz n SER 152 Cb 0.43 -1.74 -0.09 0.00 -0.26 0.00 0.00 64.21 62.55 1pjz n SER 152 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1pjz n VAL 153 N -4.70 0.00 -2.39 -3.33 3.14 -1.26 -4.78 118.33 105.01 1pjz n VAL 153 Ca -0.27 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.69 1pjz n VAL 153 Cb 0.66 -0.44 -0.02 0.00 -1.06 0.00 0.00 33.84 32.98 1pjz n VAL 153 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1pjz s PRO 154 N 2.83 4.03 0.25 1.45 0.04 -1.26 -4.89 135.00 137.44 1pjz s PRO 154 Ca 0.93 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 63.41 1pjz s PRO 154 Cb -1.31 -3.85 0.56 0.00 0.04 0.00 0.00 34.50 29.94 1pjz s PRO 154 CO 0.70 -0.97 1.32 0.94 0.04 0.00 0.00 177.00 179.03 1pjz n GLN 155 N 7.07 -0.07 -0.29 4.56 0.00 -1.26 0.21 117.38 127.60 1pjz n GLN 155 Ca 0.15 1.29 0.11 0.00 -0.00 0.00 0.00 57.00 58.55 1pjz n GLN 155 Cb 0.46 -2.00 0.26 0.00 0.00 0.00 0.00 30.24 28.96 1pjz n GLN 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pjz h THR 156 N 0.00 0.29 0.06 1.69 1.03 -1.98 0.51 112.91 114.52 1pjz h THR 156 Ca 0.48 -0.06 0.01 0.00 -0.01 0.00 0.00 66.41 66.83 1pjz h THR 156 Cb 0.90 0.11 -0.02 0.00 -1.07 0.00 0.00 68.15 68.07 1pjz h THR 156 CO -0.82 0.03 -0.14 -0.25 -0.01 0.00 0.00 175.52 174.33 1pjz h TRP 157 N 0.16 -0.35 -0.88 0.00 7.01 0.22 0.59 115.95 122.70 1pjz h TRP 157 Ca 0.53 0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.70 1pjz h TRP 157 Cb 1.05 0.15 -0.10 0.00 -2.10 0.00 0.00 29.16 28.15 1pjz h TRP 157 CO -0.32 -0.20 0.45 -0.07 -2.79 0.00 0.00 178.44 175.51 1pjz h LEU 158 N -0.26 0.53 -0.70 0.65 4.07 0.10 1.40 115.31 121.10 1pjz h LEU 158 Ca 0.03 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1pjz h LEU 158 Cb 0.29 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1pjz h LEU 158 CO -0.09 0.19 0.00 -0.74 -1.08 0.00 0.00 178.44 176.72 1pjz h HIS 159 N 0.60 0.00 0.22 1.13 2.76 0.48 2.76 115.15 123.11 1pjz h HIS 159 Ca 0.49 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 58.33 1pjz h HIS 159 Cb 0.75 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.74 1pjz h HIS 159 CO -0.09 0.00 -1.56 0.07 -1.30 0.00 0.00 177.93 175.06 1pjz h ARG 160 N 0.00 0.47 0.00 5.26 0.11 0.71 -3.33 114.38 117.60 1pjz h ARG 160 Ca 0.00 -0.81 -0.05 0.00 0.10 0.00 0.00 59.98 59.22 1pjz h ARG 160 Cb 0.63 0.30 -0.01 0.00 1.11 0.00 0.00 29.97 32.00 1pjz h ARG 160 CO 0.00 1.38 -0.69 1.55 0.10 0.00 0.00 179.97 182.31 1pjz n VAL 161 N -3.66 1.07 0.00 0.08 3.14 0.15 -4.55 118.33 114.57 1pjz n VAL 161 Ca -0.19 0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1pjz n VAL 161 Cb 1.09 -1.77 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 1pjz n VAL 161 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1pjz n MET 162 N -3.69 0.00 -3.48 1.45 2.81 0.91 -4.11 117.12 111.01 1pjz n MET 162 Ca -0.09 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.38 1pjz n MET 162 Cb 0.31 -1.20 -0.07 0.00 -0.71 0.00 0.00 33.22 31.56 1pjz n MET 162 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pjz s SER 163 N -1.82 5.95 0.00 7.83 0.15 -0.26 -4.33 113.70 121.22 1pjz s SER 163 Ca 0.00 -2.15 0.00 0.00 0.70 0.00 0.00 55.95 54.50 1pjz s SER 163 Cb 0.00 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1pjz s SER 163 CO 0.00 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1pjz n GLY 164 N 4.63 0.00 0.00 9.45 0.00 -1.26 -4.91 105.19 113.10 1pjz n GLY 164 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1pjz n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pjz n ASN 165 N 0.00 0.00 -3.73 1.61 3.02 -1.26 -5.11 115.26 109.79 1pjz n ASN 165 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1pjz n ASN 165 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 1pjz s TRP 166 N 0.00 -0.27 -0.96 3.10 -2.14 -1.26 -0.87 118.94 116.53 1pjz s TRP 166 Ca 0.00 0.69 -0.22 0.00 2.66 0.00 0.00 56.10 59.23 1pjz s TRP 166 Cb 0.00 -0.02 0.07 0.00 -3.10 0.00 0.00 33.47 30.43 1pjz s TRP 166 CO 0.00 -0.22 1.33 -1.21 -2.66 0.00 0.00 176.95 174.19 1pjz s GLU 167 N 1.35 3.55 0.02 3.25 2.02 -0.31 -4.43 118.70 124.15 1pjz s GLU 167 Ca -0.08 -1.22 -0.30 0.00 0.02 0.00 0.00 54.97 53.38 1pjz s GLU 167 Cb -0.11 -5.12 -0.06 0.00 0.10 0.00 0.00 34.13 28.94 1pjz s GLU 167 CO -0.08 -2.07 1.38 0.14 0.02 0.00 0.00 175.26 174.65 1pjz s VAL 168 N 4.38 3.68 0.15 2.63 -7.23 -1.26 -1.09 120.40 121.67 1pjz s VAL 168 Ca 0.41 1.10 0.10 0.00 -1.81 0.00 0.00 61.98 61.78 1pjz s VAL 168 Cb -0.02 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 1pjz s VAL 168 CO -0.08 0.02 -0.19 0.28 -0.31 0.00 0.00 175.10 174.82 1pjz s THR 169 N 2.12 2.72 0.05 5.32 -1.32 0.15 -4.84 115.64 119.85 1pjz s THR 169 Ca 0.63 -1.70 -0.27 0.00 -1.21 0.00 0.00 61.69 59.15 1pjz s THR 169 Cb -0.32 -2.28 -0.05 0.00 -1.51 0.00 0.00 72.50 68.34 1pjz s THR 169 CO 0.27 -0.00 0.84 -1.59 -2.21 0.00 0.00 174.62 171.93 1pjz s LYS 170 N -2.41 4.56 0.26 7.08 -2.85 -1.26 -0.59 119.74 124.52 1pjz s LYS 170 Ca 0.20 1.20 -0.22 0.00 -1.00 0.00 0.00 55.97 56.15 1pjz s LYS 170 Cb -0.09 -3.38 0.03 0.00 -2.06 0.00 0.00 37.83 32.32 1pjz s LYS 170 CO 0.11 0.22 0.76 0.54 0.10 0.00 0.00 175.35 177.08 1pjz s VAL 171 N 0.10 0.00 0.00 1.79 0.11 0.32 -4.81 120.40 117.91 1pjz s VAL 171 Ca 0.42 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1pjz s VAL 171 Cb -0.21 -2.00 0.00 0.00 -1.53 0.00 0.00 36.38 32.64 1pjz s VAL 171 CO 0.25 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1pjz n GLY 172 N -0.46 -1.02 0.00 6.54 0.00 -1.26 0.32 105.19 109.31 1pjz n GLY 172 Ca -0.04 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1pjz n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pjz n GLY 173 N 0.00 -0.79 2.95 -0.02 0.00 -0.08 -4.87 105.19 102.38 1pjz n GLY 173 Ca 0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 1pjz n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pjz n GLN 174 N 0.00 0.96 -1.25 1.61 0.00 -1.26 -0.68 117.38 116.76 1pjz n GLN 174 Ca 0.00 -2.89 -0.09 0.00 0.00 0.00 0.00 57.00 54.01 1pjz n GLN 174 Cb 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 30.24 30.83 1pjz n GLN 174 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1pjz n ASP 175 N -1.44 -5.59 -3.73 2.61 8.00 -1.24 -4.86 116.55 110.29 1pjz n ASP 175 Ca -0.12 0.23 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 1pjz n ASP 175 Cb 0.51 -4.01 -0.08 0.00 -0.02 0.00 0.00 41.12 37.51 1pjz n ASP 175 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1pjz n THR 176 N -2.12 2.57 0.01 -3.53 5.66 -1.21 -4.81 114.28 110.85 1pjz n THR 176 Ca -0.09 -5.18 -0.18 0.00 -3.05 0.00 0.00 64.05 55.54 1pjz n THR 176 Cb 0.57 -2.17 -0.14 0.00 -1.55 0.00 0.00 70.33 67.04 1pjz n THR 176 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1pjz h LEU 177 N 4.93 0.33 -0.58 1.09 7.12 -1.89 -3.36 115.31 122.95 1pjz h LEU 177 Ca 0.18 -0.71 0.04 0.00 0.13 0.00 0.00 57.88 57.52 1pjz h LEU 177 Cb 0.71 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.69 1pjz h LEU 177 CO 0.86 1.63 0.33 0.45 -0.13 0.00 0.00 178.44 181.58 1pjz h HIS 178 N 0.06 0.60 -0.17 1.25 -0.00 -1.93 -3.02 115.15 111.94 1pjz h HIS 178 Ca -0.38 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.03 1pjz h HIS 178 Cb 2.03 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 29.23 1pjz h HIS 178 CO 0.06 0.32 -0.10 -1.13 -0.00 0.00 0.00 177.93 177.08 1pjz n SER 179 N -4.80 -0.18 -4.66 2.45 3.41 -1.26 -3.98 113.62 104.60 1pjz n SER 179 Ca 0.06 1.05 -0.43 0.00 -0.26 0.00 0.00 58.87 59.29 1pjz n SER 179 Cb 0.12 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.63 1pjz n SER 179 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pjz s SER 180 N -3.47 6.85 0.09 4.04 0.15 -1.14 -3.95 113.70 116.27 1pjz s SER 180 Ca -0.02 1.79 -0.25 0.00 0.70 0.00 0.00 55.95 58.16 1pjz s SER 180 Cb 0.02 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.64 1pjz s SER 180 CO 0.11 -0.83 1.71 0.00 1.20 0.00 0.00 173.24 175.43 1pjz h ALA 181 N 8.64 -0.22 -0.90 5.45 0.00 -1.81 -2.42 119.26 128.00 1pjz h ALA 181 Ca -0.30 -0.05 0.28 0.00 0.00 0.00 0.00 54.91 54.84 1pjz h ALA 181 Cb 1.12 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 1pjz h ALA 181 CO 0.97 -0.63 0.12 0.54 0.00 0.00 0.00 179.25 180.25 1pjz n ARG 182 N -5.19 -0.07 0.20 0.00 1.74 -1.26 -0.13 116.66 111.95 1pjz n ARG 182 Ca -0.08 1.33 -0.13 0.00 -0.77 0.00 0.00 57.85 58.19 1pjz n ARG 182 Cb 0.12 -2.17 -0.07 0.00 -1.02 0.00 0.00 32.46 29.31 1pjz n ARG 182 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1pjz h GLY 183 N 0.00 -1.13 0.26 -0.13 0.00 -1.67 -0.54 103.07 99.85 1pjz h GLY 183 Ca 0.59 0.53 0.21 0.00 0.00 0.00 0.00 47.33 48.67 1pjz h GLY 183 CO -0.82 -0.34 0.61 1.41 0.00 0.00 0.00 176.54 177.40 1pjz h LEU 184 N -0.73 0.40 -0.10 3.11 3.38 -0.51 1.14 115.31 122.00 1pjz h LEU 184 Ca -0.04 0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1pjz h LEU 184 Cb 0.64 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1pjz h LEU 184 CO -0.07 0.15 -0.03 0.50 0.09 0.00 0.00 178.44 179.08 1pjz h LYS 185 N 0.39 -0.01 -0.13 1.13 3.64 0.27 -2.65 116.57 119.21 1pjz h LYS 185 Ca 0.48 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.63 1pjz h LYS 185 Cb 1.22 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1pjz h LYS 185 CO -0.18 -0.01 -0.83 0.00 -2.27 0.00 0.00 179.45 176.16 1pjz h ALA 186 N 1.08 0.27 -0.96 5.00 0.00 0.84 -3.49 119.26 122.01 1pjz h ALA 186 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1pjz h ALA 186 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pjz h ALA 186 CO -0.11 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1pjz n GLY 187 N 0.78 0.31 0.01 0.00 0.00 0.36 -4.92 105.19 101.73 1pjz n GLY 187 Ca -0.08 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.47 1pjz n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pjz n LEU 188 N -0.20 0.00 -2.21 0.99 4.32 -1.23 -4.97 117.00 113.71 1pjz n LEU 188 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.97 1pjz n LEU 188 Cb 0.04 0.03 -0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1pjz n LEU 188 CO 0.00 0.03 -0.01 -1.84 -1.22 0.00 0.00 177.39 174.35 1pjz n GLU 189 N -1.88 -2.52 0.00 3.23 0.28 -1.26 -4.54 120.64 113.95 1pjz n GLU 189 Ca -0.03 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1pjz n GLU 189 Cb 0.30 -3.64 0.00 0.00 1.43 0.00 0.00 31.44 29.53 1pjz n GLU 189 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1pjz n ARG 190 N -2.09 0.00 -3.64 3.44 1.74 -1.26 -4.97 116.66 109.88 1pjz n ARG 190 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 1pjz n ARG 190 Cb 0.40 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.77 1pjz n ARG 190 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pjz s MET 191 N 0.00 0.80 -0.12 5.56 0.23 -1.26 -4.92 119.30 119.59 1pjz s MET 191 Ca 0.00 0.49 -0.28 0.00 -1.03 0.00 0.00 55.69 54.87 1pjz s MET 191 Cb 0.00 0.38 -0.01 0.00 -1.53 0.00 0.00 34.83 33.67 1pjz s MET 191 CO 0.00 -0.17 0.95 -0.51 -2.03 0.00 0.00 175.02 173.25 1pjz s ASP 192 N -0.40 7.17 -0.13 -1.18 1.11 -1.26 -3.28 116.67 118.69 1pjz s ASP 192 Ca -0.05 1.43 0.01 0.00 0.18 0.00 0.00 52.55 54.11 1pjz s ASP 192 Cb -0.03 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.43 1pjz s ASP 192 CO 0.04 -0.41 -0.16 -0.70 1.18 0.00 0.00 175.17 175.12 1pjz s GLU 193 N 1.95 3.28 -0.19 8.23 2.12 0.14 -1.41 118.70 132.82 1pjz s GLU 193 Ca 0.45 -0.74 -0.03 0.00 0.36 0.00 0.00 54.97 55.02 1pjz s GLU 193 Cb -0.18 -2.57 -0.01 0.00 0.26 0.00 0.00 34.13 31.63 1pjz s GLU 193 CO 0.17 0.15 -0.07 -1.01 -0.54 0.00 0.00 175.26 173.97 1pjz s HIS 194 N 0.47 2.93 0.34 5.30 3.76 0.75 -0.90 115.29 127.94 1pjz s HIS 194 Ca -0.11 -0.85 0.09 0.00 -0.15 0.00 0.00 55.06 54.04 1pjz s HIS 194 Cb -0.16 -2.03 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 1pjz s HIS 194 CO 0.05 -0.44 0.07 0.08 -0.85 0.00 0.00 174.74 173.64 1pjz s VAL 195 N 1.14 2.82 -0.10 -0.90 1.01 0.15 0.42 120.40 124.94 1pjz s VAL 195 Ca 0.02 -1.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.05 1pjz s VAL 195 Cb -0.14 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.39 1pjz s VAL 195 CO -0.01 -0.20 0.26 -0.31 0.00 0.00 0.00 175.10 174.84 1pjz s TYR 196 N -2.47 -0.30 -0.51 5.22 2.02 0.14 -0.52 117.35 120.93 1pjz s TYR 196 Ca 0.36 0.72 -0.09 0.00 -0.37 0.00 0.00 57.07 57.69 1pjz s TYR 196 Cb -0.01 0.10 0.13 0.00 -0.40 0.00 0.00 41.96 41.77 1pjz s TYR 196 CO 0.21 -0.15 0.39 0.08 -1.57 0.00 0.00 175.55 174.50 1pjz s VAL 197 N 0.24 4.32 -0.46 0.71 1.01 0.24 -0.21 120.40 126.24 1pjz s VAL 197 Ca -0.01 -1.89 -0.16 0.00 0.00 0.00 0.00 61.98 59.92 1pjz s VAL 197 Cb -0.03 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1pjz s VAL 197 CO -0.00 -0.80 0.41 -1.48 0.00 0.00 0.00 175.10 173.22 1pjz s LEU 198 N 1.21 5.37 -0.61 3.92 2.34 0.13 0.35 118.68 131.39 1pjz s LEU 198 Ca 0.07 -1.12 -0.27 0.00 0.06 0.00 0.00 54.13 52.86 1pjz s LEU 198 Cb -0.25 -2.23 0.01 0.00 -0.56 0.00 0.00 46.19 43.16 1pjz s LEU 198 CO -0.01 -0.63 1.45 -0.70 -1.06 0.00 0.00 176.35 175.40 1pjz s GLU 199 N 1.81 3.18 -0.58 1.48 2.12 -0.25 0.61 118.70 127.07 1pjz s GLU 199 Ca 0.06 0.33 -0.27 0.00 0.36 0.00 0.00 54.97 55.45 1pjz s GLU 199 Cb -0.22 -4.17 -0.02 0.00 0.26 0.00 0.00 34.13 29.98 1pjz s GLU 199 CO 0.09 -2.10 1.87 0.50 -0.54 0.00 0.00 175.26 175.08 1pjz s ARG 200 N 5.78 2.68 0.00 4.30 3.52 0.14 -1.16 118.95 134.20 1pjz s ARG 200 Ca 0.51 0.71 0.31 0.00 -0.13 0.00 0.00 55.73 57.13 1pjz s ARG 200 Cb -0.10 -4.37 1.75 0.00 -1.56 0.00 0.00 34.95 30.66 1pjz s ARG 200 CO 0.22 -2.67 2.14 1.33 -0.81 0.00 0.00 175.30 175.52