#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjz h GLN 2 N 0.00 -0.04 0.00 1.57 7.50 -1.96 -3.42 115.11 118.76 1pjz h GLN 2 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1pjz h GLN 2 Cb 0.00 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1pjz h GLN 2 CO 0.00 -0.02 0.00 0.43 -1.50 0.00 0.00 178.83 177.74 1pjz n SER 3 N -3.97 0.00 -3.41 1.46 7.64 -1.26 -3.55 113.62 110.53 1pjz n SER 3 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1pjz n SER 3 Cb 0.12 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.22 1pjz n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1pjz s GLU 4 N 0.00 0.74 0.02 1.43 -1.05 -1.26 -5.11 118.70 113.47 1pjz s GLU 4 Ca 0.00 -1.72 0.04 0.00 -0.15 0.00 0.00 54.97 53.14 1pjz s GLU 4 Cb 0.00 -1.32 -0.02 0.00 -0.44 0.00 0.00 34.13 32.36 1pjz s GLU 4 CO 0.00 -1.31 -0.11 0.54 0.95 0.00 0.00 175.26 175.33 1pjz s VAL 5 N 0.55 0.90 -0.31 1.83 0.11 -1.23 -4.80 120.40 117.44 1pjz s VAL 5 Ca 0.26 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 58.29 1pjz s VAL 5 Cb -0.08 -0.80 -0.12 0.00 -1.53 0.00 0.00 36.38 33.85 1pjz s VAL 5 CO -0.10 0.07 1.13 -3.20 -3.33 0.00 0.00 175.10 169.66 1pjz n ASN 6 N 2.31 0.66 -0.36 3.54 5.15 -1.26 -4.74 115.26 120.55 1pjz n ASN 6 Ca -0.16 0.63 0.02 0.00 -0.60 0.00 0.00 54.58 54.47 1pjz n ASN 6 Cb 0.56 -0.56 0.17 0.00 -0.53 0.00 0.00 39.78 39.42 1pjz n ASN 6 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 1pjz h LYS 7 N 4.04 1.17 -0.26 1.20 -0.00 -1.97 -0.70 116.57 120.05 1pjz h LYS 7 Ca -0.20 -0.07 -0.02 0.00 -0.00 0.00 0.00 60.65 60.36 1pjz h LYS 7 Cb 0.87 -0.26 -0.01 0.00 -0.00 0.00 0.00 32.23 32.83 1pjz h LYS 7 CO 0.64 0.77 0.07 -0.44 -0.00 0.00 0.00 179.45 180.49 1pjz h ASP 8 N 1.20 0.38 0.12 7.07 3.32 -1.90 0.37 116.42 126.99 1pjz h ASP 8 Ca 0.42 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1pjz h ASP 8 Cb 0.11 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1pjz h ASP 8 CO -0.15 0.50 -0.20 0.25 -1.72 0.00 0.00 179.24 177.92 1pjz h LEU 9 N 0.25 -0.58 -2.05 1.55 7.12 -1.63 0.50 115.31 120.47 1pjz h LEU 9 Ca 0.08 0.05 0.09 0.00 0.13 0.00 0.00 57.88 58.24 1pjz h LEU 9 Cb 0.26 0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 1pjz h LEU 9 CO -0.00 -0.24 0.25 0.06 -0.13 0.00 0.00 178.44 178.38 1pjz h GLN 10 N -0.34 0.00 0.00 1.25 3.07 -1.18 0.20 115.11 118.10 1pjz h GLN 10 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1pjz h GLN 10 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 1pjz h GLN 10 CO -0.07 0.00 0.00 0.94 0.09 0.00 0.00 178.83 179.79 1pjz n GLN 11 N -4.28 0.00 -0.26 0.06 -0.06 0.13 -0.93 117.38 112.05 1pjz n GLN 11 Ca 0.05 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 55.00 1pjz n GLN 11 Cb 0.42 -0.75 0.01 0.00 -4.06 0.00 0.00 30.24 25.86 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 -1.04 -0.27 3.69 0.05 -0.05 0.21 116.97 119.56 1pjz h TYR 12 Ca 0.00 0.08 0.06 0.00 0.05 0.00 0.00 58.73 58.93 1pjz h TYR 12 Cb 0.00 0.56 -0.08 0.00 1.01 0.00 0.00 36.73 38.22 1pjz h TYR 12 CO 0.00 -0.39 -0.35 2.35 -1.05 0.00 0.00 178.16 178.71 1pjz h TRP 13 N -0.12 -0.99 -1.06 4.88 2.91 -1.10 6.66 115.95 127.12 1pjz h TRP 13 Ca 0.26 0.05 0.28 0.00 1.13 0.00 0.00 58.89 60.61 1pjz h TRP 13 Cb 0.56 0.47 -0.09 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 -0.35 0.41 0.00 2.65 0.02 0.12 0.15 113.55 116.55 1pjz h SER 14 Ca 0.13 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 1pjz h SER 14 Cb 0.56 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1pjz h SER 14 CO -0.46 0.06 -0.79 -1.28 -1.14 0.00 0.00 176.83 173.22 1pjz h SER 15 N 0.35 0.00 -0.96 3.07 0.87 0.21 -3.35 113.55 113.74 1pjz h SER 15 Ca 0.61 -0.37 0.36 0.00 -1.23 0.00 0.00 61.79 61.16 1pjz h SER 15 Cb 1.61 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.40 1pjz h SER 15 CO -0.30 1.13 0.35 0.18 -0.53 0.00 0.00 176.83 177.67 1pjz n LEU 16 N -4.54 0.19 -3.54 2.23 4.32 2.10 -4.70 117.00 113.06 1pjz n LEU 16 Ca -0.19 1.61 -0.25 0.00 -0.02 0.00 0.00 56.01 57.15 1pjz n LEU 16 Cb 0.48 -0.72 -0.02 0.00 -1.62 0.00 0.00 43.42 41.55 1pjz n LEU 16 CO 0.17 -1.74 -0.05 -3.20 -1.22 0.00 0.00 177.39 171.35 1pjz n ASN 17 N -5.25 -3.21 -4.35 -1.43 5.15 0.45 -4.82 115.26 101.79 1pjz n ASN 17 Ca 0.32 -0.49 -0.37 0.00 -0.60 0.00 0.00 54.58 53.44 1pjz n ASN 17 Cb 1.07 -2.68 0.05 0.00 -0.53 0.00 0.00 39.78 37.70 1pjz n ASN 17 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1pjz n VAL 18 N -3.88 1.11 -0.96 3.44 3.14 -1.26 -4.73 118.33 115.18 1pjz n VAL 18 Ca 0.02 -0.43 -0.32 0.00 -2.96 0.00 0.00 64.34 60.65 1pjz n VAL 18 Cb 0.52 -0.47 -0.01 0.00 -1.06 0.00 0.00 33.84 32.82 1pjz n VAL 18 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1pjz n VAL 19 N -2.23 0.75 -2.34 1.55 0.24 -1.26 -4.72 118.33 110.30 1pjz n VAL 19 Ca 0.08 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.34 61.59 1pjz n VAL 19 Cb 0.50 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.72 3.48 0.00 7.34 0.04 -1.26 -2.15 135.00 141.73 1pjz s PRO 20 Ca 0.44 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1pjz s PRO 20 Cb -0.52 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1pjz s PRO 20 CO 0.44 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1pjz n GLY 21 N 5.15 0.61 2.87 0.56 0.00 -1.22 -5.04 105.19 108.12 1pjz n GLY 21 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.34 -4.59 -2.68 4.61 0.00 -0.91 -3.03 120.51 112.58 1pjz n ALA 22 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 1pjz n ALA 22 Cb 0.00 -1.14 -0.03 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 -1.58 4.34 -0.31 0.00 1.81 -0.76 -1.60 118.95 120.87 1pjz s ARG 23 Ca 0.42 1.23 -0.08 0.00 -1.72 0.00 0.00 55.73 55.58 1pjz s ARG 23 Cb -0.26 -3.57 0.00 0.00 -0.45 0.00 0.00 34.95 30.67 1pjz s ARG 23 CO 0.72 -0.37 0.12 0.08 -0.68 0.00 0.00 175.30 175.18 1pjz s VAL 24 N 2.25 4.27 -0.10 3.52 1.01 0.11 -1.67 120.40 129.80 1pjz s VAL 24 Ca 0.43 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1pjz s VAL 24 Cb -0.17 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1pjz s VAL 24 CO 0.14 0.05 0.06 -0.22 0.00 0.00 0.00 175.10 175.13 1pjz s LEU 25 N 1.55 3.93 -0.23 3.92 1.98 -0.35 -0.08 118.68 129.40 1pjz s LEU 25 Ca 0.03 0.28 -0.04 0.00 -2.89 0.00 0.00 54.13 51.52 1pjz s LEU 25 Cb -0.17 -1.93 0.09 0.00 0.66 0.00 0.00 46.19 44.84 1pjz s LEU 25 CO 0.04 0.39 0.17 0.68 -1.89 0.00 0.00 176.35 175.74 1pjz s VAL 26 N -0.94 -0.20 -0.07 1.68 -7.23 -0.47 0.14 120.40 113.32 1pjz s VAL 26 Ca 0.14 -0.34 -0.30 0.00 -1.81 0.00 0.00 61.98 59.67 1pjz s VAL 26 Cb -0.12 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 1pjz s VAL 26 CO 0.03 -0.39 1.23 -2.16 -0.31 0.00 0.00 175.10 173.50 1pjz s PRO 27 N 2.21 4.32 -0.44 4.82 0.04 -1.25 -1.45 135.00 143.25 1pjz s PRO 27 Ca 0.06 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.75 1pjz s PRO 27 Cb -0.16 -3.60 0.01 0.00 0.04 0.00 0.00 34.50 30.79 1pjz s PRO 27 CO -0.20 -0.51 0.10 1.47 0.04 0.00 0.00 177.00 177.90 1pjz n LEU 28 N 5.49 -0.18 -0.05 -3.56 -0.00 -0.22 -4.18 117.00 114.30 1pjz n LEU 28 Ca 0.12 -0.41 -0.06 0.00 -0.00 0.00 0.00 56.01 55.65 1pjz n LEU 28 Cb 0.46 -0.50 -0.06 0.00 -0.00 0.00 0.00 43.42 43.31 1pjz n LEU 28 CO 0.56 0.20 -0.85 0.00 -0.00 0.00 0.00 177.39 177.30 1pjz n GLY 30 N 2.70 0.33 7.00 0.00 0.00 -1.26 -4.82 105.19 109.15 1pjz n GLY 30 Ca -0.18 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pjz n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pjz n LYS 31 N 0.00 0.00 0.00 1.61 4.81 -1.26 -4.62 118.16 118.70 1pjz n LYS 31 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pjz n LYS 31 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1pjz n LYS 31 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1pjz n SER 32 N -3.07 0.00 -0.03 3.14 7.64 -1.26 -4.94 113.62 115.10 1pjz n SER 32 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1pjz n SER 32 Cb 0.00 0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.19 0.15 1.43 1.08 -1.89 0.09 115.11 116.16 1pjz h GLN 33 Ca 0.00 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 57.05 1pjz h GLN 33 Cb 0.00 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.42 1pjz h GLN 33 CO 0.00 0.83 -0.47 0.22 -0.95 0.00 0.00 178.83 178.46 1pjz h ASP 34 N -0.39 -1.38 0.73 1.46 3.58 -1.90 0.46 116.42 118.97 1pjz h ASP 34 Ca -0.02 0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 1pjz h ASP 34 Cb 0.87 0.51 0.01 0.00 1.72 0.00 0.00 39.33 42.44 1pjz h ASP 34 CO 0.04 -0.53 -0.35 0.00 -2.88 0.00 0.00 179.24 175.52 1pjz h MET 35 N -0.72 -0.94 -1.50 0.28 -0.00 -1.82 -1.21 114.93 109.02 1pjz h MET 35 Ca 0.01 0.06 0.45 0.00 -0.00 0.00 0.00 59.70 60.22 1pjz h MET 35 Cb 0.73 0.21 -0.08 0.00 -0.00 0.00 0.00 31.60 32.46 1pjz h MET 35 CO -0.25 -0.63 1.05 1.03 -0.00 0.00 0.00 176.91 178.11 1pjz h SER 36 N -1.02 0.10 0.19 -0.10 0.87 -0.90 1.13 113.55 113.83 1pjz h SER 36 Ca -0.10 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1pjz h SER 36 Cb 0.75 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1pjz h SER 36 CO 0.16 -0.04 -0.09 -0.25 -0.53 0.00 0.00 176.83 176.08 1pjz h TRP 37 N 0.05 -0.24 0.31 2.24 7.01 0.39 0.14 115.95 125.86 1pjz h TRP 37 Ca 0.77 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.75 1pjz h TRP 37 Cb 2.84 0.08 0.00 0.00 -2.10 0.00 0.00 29.16 29.98 1pjz h TRP 37 CO -0.00 0.15 -0.15 -0.07 -2.79 0.00 0.00 178.44 175.58 1pjz h LEU 38 N -0.72 -0.35 -0.93 0.65 3.38 0.22 -1.65 115.31 115.91 1pjz h LEU 38 Ca -0.03 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.22 1pjz h LEU 38 Cb 0.50 0.09 -0.16 0.00 0.09 0.00 0.00 40.66 41.18 1pjz h LEU 38 CO 0.04 -0.24 0.19 0.28 0.09 0.00 0.00 178.44 178.80 1pjz h SER 39 N -0.43 -0.14 -0.32 -0.43 0.02 -0.06 2.11 113.55 114.28 1pjz h SER 39 Ca -0.04 0.23 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1pjz h SER 39 Cb 0.32 0.35 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1pjz h SER 39 CO 0.07 -0.26 0.22 1.23 -1.14 0.00 0.00 176.83 176.95 1pjz h GLY 40 N 0.11 0.25 1.86 -3.77 0.00 -0.78 -0.44 103.07 100.30 1pjz h GLY 40 Ca 0.60 -0.08 -0.23 0.00 0.00 0.00 0.00 47.33 47.62 1pjz h GLY 40 CO -0.77 0.07 -1.10 1.46 0.00 0.00 0.00 176.54 176.21 1pjz h GLN 41 N 0.21 0.04 0.00 4.80 1.08 0.43 -3.48 115.11 118.18 1pjz h GLN 41 Ca 0.14 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1pjz h GLN 41 Cb 0.31 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1pjz h GLN 41 CO -0.02 1.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.26 1pjz n GLY 42 N 1.40 0.75 3.51 3.46 0.00 0.31 -5.00 105.19 109.62 1pjz n GLY 42 Ca -0.03 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.39 2.06 -1.26 1.61 1.51 -1.21 -3.39 117.35 115.27 1pjz s TYR 43 Ca 0.00 -0.93 -0.17 0.00 -1.01 0.00 0.00 57.07 54.96 1pjz s TYR 43 Cb 0.00 -1.39 0.10 0.00 -0.11 0.00 0.00 41.96 40.56 1pjz s TYR 43 CO 0.00 0.08 1.64 -1.58 -1.11 0.00 0.00 175.55 174.58 1pjz s HIS 44 N -3.15 2.96 -0.54 2.71 2.46 -0.63 -4.55 115.29 114.56 1pjz s HIS 44 Ca 0.33 -1.73 -0.27 0.00 0.47 0.00 0.00 55.06 53.86 1pjz s HIS 44 Cb 0.08 -4.63 -0.01 0.00 -0.13 0.00 0.00 32.58 27.89 1pjz s HIS 44 CO 0.15 -1.70 1.68 0.08 -2.47 0.00 0.00 174.74 172.48 1pjz s VAL 45 N 3.55 3.54 0.02 0.89 1.01 -1.26 0.09 120.40 128.22 1pjz s VAL 45 Ca 0.50 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.93 1pjz s VAL 45 Cb 0.02 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1pjz s VAL 45 CO 0.05 -0.92 -0.07 0.54 0.00 0.00 0.00 175.10 174.70 1pjz s VAL 46 N 7.52 0.52 -0.06 2.92 0.11 0.88 -1.18 120.40 131.11 1pjz s VAL 46 Ca 0.64 -0.59 -0.21 0.00 -2.93 0.00 0.00 61.98 58.89 1pjz s VAL 46 Cb -0.14 -0.50 0.07 0.00 -1.53 0.00 0.00 36.38 34.28 1pjz s VAL 46 CO 0.25 -0.06 0.93 0.61 -3.33 0.00 0.00 175.10 173.50 1pjz n GLY 47 N 2.35 0.18 3.38 6.54 0.00 0.16 -1.36 105.19 116.43 1pjz n GLY 47 Ca -0.17 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 1pjz n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz s ALA 48 N -1.68 2.02 -0.06 4.61 0.00 -0.53 -1.32 121.76 124.79 1pjz s ALA 48 Ca 0.22 -1.92 0.02 0.00 0.00 0.00 0.00 51.96 50.28 1pjz s ALA 48 Cb -0.00 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1pjz s ALA 48 CO -0.02 -0.34 -0.11 -2.00 0.00 0.00 0.00 175.76 173.29 1pjz s GLU 49 N -3.93 1.56 -1.13 0.00 -6.30 0.10 -1.05 118.70 107.95 1pjz s GLU 49 Ca 0.35 -0.36 -0.05 0.00 -2.50 0.00 0.00 54.97 52.41 1pjz s GLU 49 Cb 0.08 -1.32 0.27 0.00 0.00 0.00 0.00 34.13 33.15 1pjz s GLU 49 CO 0.13 -0.00 1.65 1.28 0.02 0.00 0.00 175.26 178.34 1pjz n LEU 50 N 3.89 6.66 -3.70 2.70 7.99 -1.20 0.29 117.00 133.63 1pjz n LEU 50 Ca -0.23 -5.10 -0.11 0.00 -0.01 0.00 0.00 56.01 50.56 1pjz n LEU 50 Cb 0.51 -1.31 -0.10 0.00 -0.11 0.00 0.00 43.42 42.42 1pjz n LEU 50 CO 0.25 1.68 0.09 -0.94 -1.51 0.00 0.00 177.39 176.97 1pjz s SER 51 N -1.11 -0.52 -0.26 -1.43 1.04 0.54 -4.98 113.70 106.98 1pjz s SER 51 Ca 0.35 0.93 -0.12 0.00 0.48 0.00 0.00 55.95 57.59 1pjz s SER 51 Cb 0.08 0.85 -0.15 0.00 0.10 0.00 0.00 66.02 66.91 1pjz s SER 51 CO 0.05 -0.18 -0.22 -0.62 0.98 0.00 0.00 173.24 173.25 1pjz n GLU 52 N 3.78 0.61 -0.29 4.02 4.71 -1.26 -3.27 120.64 128.94 1pjz n GLU 52 Ca -0.20 0.28 -0.05 0.00 -0.01 0.00 0.00 57.16 57.19 1pjz n GLU 52 Cb 0.56 -1.54 0.07 0.00 -1.01 0.00 0.00 31.44 29.51 1pjz n GLU 52 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pjz h ALA 53 N -0.69 1.00 -0.48 0.62 0.00 -1.98 -1.25 119.26 116.49 1pjz h ALA 53 Ca -0.62 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1pjz h ALA 53 Cb 1.65 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1pjz h ALA 53 CO -0.31 0.51 0.13 0.00 0.00 0.00 0.00 179.25 179.58 1pjz h ALA 54 N 1.22 1.33 0.41 0.00 0.00 -1.98 0.36 119.26 120.60 1pjz h ALA 54 Ca 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1pjz h ALA 54 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1pjz h ALA 54 CO -0.04 0.48 -0.20 0.28 0.00 0.00 0.00 179.25 179.77 1pjz h VAL 55 N 0.70 0.60 -0.78 0.00 2.07 -1.36 0.23 116.25 117.70 1pjz h VAL 55 Ca 0.16 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1pjz h VAL 55 Cb 0.24 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1pjz h VAL 55 CO -0.00 0.03 0.48 -0.33 0.02 0.00 0.00 177.57 177.77 1pjz h GLU 56 N -0.64 0.89 -0.02 1.57 4.39 -0.99 0.10 114.58 119.88 1pjz h GLU 56 Ca -0.06 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 1pjz h GLU 56 Cb 0.47 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1pjz h GLU 56 CO 0.09 0.59 -0.20 -0.09 -1.16 0.00 0.00 179.01 178.24 1pjz h ARG 57 N 0.91 0.03 -0.22 2.33 9.65 -0.68 -0.79 114.38 125.62 1pjz h ARG 57 Ca 0.33 -0.01 -0.19 0.00 -1.10 0.00 0.00 59.98 59.01 1pjz h ARG 57 Cb 0.09 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1pjz h ARG 57 CO -0.14 0.24 -0.59 -0.92 2.80 0.00 0.00 179.97 181.36 1pjz h TYR 58 N 0.03 1.01 -0.21 2.20 5.03 0.13 0.14 116.97 125.31 1pjz h TYR 58 Ca 0.00 -0.39 -0.13 0.00 2.58 0.00 0.00 58.73 60.79 1pjz h TYR 58 Cb 0.38 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1pjz h TYR 58 CO 0.00 1.21 -0.40 0.74 -1.32 0.00 0.00 178.16 178.39 1pjz h PHE 59 N 0.52 0.57 0.04 -3.82 -1.00 -0.68 -0.08 116.94 112.50 1pjz h PHE 59 Ca -0.01 -0.16 -0.21 0.00 2.81 0.00 0.00 57.97 60.39 1pjz h PHE 59 Cb 1.21 -0.12 0.02 0.00 3.61 0.00 0.00 35.95 40.66 1pjz h PHE 59 CO 0.08 0.81 -0.86 0.00 -1.61 0.00 0.00 178.31 176.73 1pjz h THR 60 N 0.40 1.37 -0.31 -1.55 1.03 -1.13 0.46 112.91 113.18 1pjz h THR 60 Ca 0.04 -2.25 -0.02 0.00 -0.01 0.00 0.00 66.41 64.16 1pjz h THR 60 Cb 0.88 2.64 -0.01 0.00 -1.07 0.00 0.00 68.15 70.59 1pjz h THR 60 CO 0.07 0.67 0.11 -0.33 -0.01 0.00 0.00 175.52 176.04 1pjz h GLU 61 N 0.06 0.46 -0.00 0.00 4.39 -0.67 -3.05 114.58 115.77 1pjz h GLU 61 Ca -0.12 -0.09 -0.26 0.00 0.34 0.00 0.00 59.36 59.23 1pjz h GLU 61 Cb 1.57 -0.07 0.02 0.00 -0.10 0.00 0.00 28.75 30.16 1pjz h GLU 61 CO 0.17 0.49 -1.02 0.00 -1.16 0.00 0.00 179.01 177.49 1pjz h ARG 62 N 0.34 0.64 -0.40 2.33 3.08 -1.09 -3.48 114.38 115.81 1pjz h ARG 62 Ca 0.10 -0.68 0.00 0.00 0.07 0.00 0.00 59.98 59.47 1pjz h ARG 62 Cb 0.20 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1pjz h ARG 62 CO -0.01 1.28 0.00 0.41 -1.07 0.00 0.00 179.97 180.58 1pjz n GLY 63 N 1.04 0.81 0.20 0.04 0.00 0.15 -4.88 105.19 102.56 1pjz n GLY 63 Ca -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.71 -0.54 0.00 1.61 1.02 -0.82 -5.02 120.64 116.18 1pjz n GLU 64 Ca 0.00 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1pjz n GLU 64 Cb 0.41 -0.52 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 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 -1.64 0.00 -0.35 3.49 6.02 -1.26 -5.13 117.38 118.51 1pjz n GLN 65 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1pjz n GLN 65 Cb 0.06 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.38 1pjz n GLN 65 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1pjz n PRO 66 N 0.00 -0.90 -3.71 -1.09 -0.04 -1.26 -4.95 135.00 123.04 1pjz n PRO 66 Ca 0.00 -0.45 -0.38 0.00 -0.04 0.00 0.00 63.50 62.63 1pjz n PRO 66 Cb 0.00 -0.36 -0.12 0.00 -0.04 0.00 0.00 33.50 32.98 1pjz n PRO 66 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1pjz s HIS 67 N -1.58 3.21 -0.13 0.54 2.46 0.48 -4.97 115.29 115.30 1pjz s HIS 67 Ca 0.17 -1.11 -0.15 0.00 0.47 0.00 0.00 55.06 54.45 1pjz s HIS 67 Cb -0.01 -2.31 -0.05 0.00 -0.13 0.00 0.00 32.58 30.08 1pjz s HIS 67 CO 0.13 -0.64 0.36 0.42 -2.47 0.00 0.00 174.74 172.53 1pjz s ILE 68 N 1.49 5.24 0.02 0.89 -1.09 -1.26 -1.47 121.20 125.02 1pjz s ILE 68 Ca 0.01 0.69 0.06 0.00 -2.23 0.00 0.00 60.65 59.18 1pjz s ILE 68 Cb -0.18 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 36.99 1pjz s ILE 68 CO 0.04 0.40 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.08 1pjz s THR 69 N 0.27 1.42 -0.52 2.92 2.01 0.10 -4.96 115.64 116.88 1pjz s THR 69 Ca 0.20 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1pjz s THR 69 Cb -0.14 -1.22 0.13 0.00 0.01 0.00 0.00 72.50 71.28 1pjz s THR 69 CO 0.07 0.25 0.29 -0.44 -0.69 0.00 0.00 174.62 174.10 1pjz s SER 70 N -0.83 4.86 -0.61 3.53 0.01 -1.26 0.32 113.70 119.72 1pjz s SER 70 Ca 0.06 -2.70 -0.18 0.00 1.31 0.00 0.00 55.95 54.44 1pjz s SER 70 Cb -0.08 -1.75 0.12 0.00 0.21 0.00 0.00 66.02 64.53 1pjz s SER 70 CO 0.01 -0.35 0.66 0.00 0.41 0.00 0.00 173.24 173.97 1pjz s GLN 71 N 0.16 3.10 5.48 12.44 1.03 0.95 -4.91 119.66 137.90 1pjz s GLN 71 Ca 0.15 -1.56 0.00 0.00 0.04 0.00 0.00 55.36 53.99 1pjz s GLN 71 Cb -0.22 -4.32 0.00 0.00 0.03 0.00 0.00 33.01 28.50 1pjz s GLN 71 CO -0.03 -1.46 0.00 0.41 -2.54 0.00 0.00 175.29 171.67 1pjz n GLY 72 N 5.17 1.22 0.49 2.60 0.00 -1.26 -0.42 105.19 112.99 1pjz n GLY 72 Ca -0.08 0.30 0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 10.53 2.45 -4.59 1.61 2.03 -1.26 -4.99 116.55 122.33 1pjz n ASP 73 Ca 0.00 -1.79 -0.29 0.00 0.52 0.00 0.00 54.79 53.24 1pjz n ASP 73 Cb 0.00 -0.13 -0.09 0.00 -0.72 0.00 0.00 41.12 40.18 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 -0.93 2.74 0.23 -0.67 0.08 0.44 -5.00 117.98 114.87 1pjz s PHE 74 Ca 0.17 -0.16 0.07 0.00 0.12 0.00 0.00 56.93 57.13 1pjz s PHE 74 Cb 0.10 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 1pjz s PHE 74 CO 0.13 0.46 0.12 0.21 -0.10 0.00 0.00 175.22 176.04 1pjz s LYS 75 N -2.43 2.73 -0.27 0.44 2.20 -1.26 -0.03 119.74 121.12 1pjz s LYS 75 Ca 0.23 -1.10 -0.04 0.00 -0.36 0.00 0.00 55.97 54.70 1pjz s LYS 75 Cb -0.10 -2.47 0.09 0.00 -1.51 0.00 0.00 37.83 33.84 1pjz s LYS 75 CO 0.15 0.42 0.12 0.08 -0.36 0.00 0.00 175.35 175.76 1pjz s VAL 76 N -2.04 -0.05 -0.48 4.02 1.01 0.15 -1.49 120.40 121.51 1pjz s VAL 76 Ca 0.31 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 1pjz s VAL 76 Cb -0.08 -0.92 0.11 0.00 0.00 0.00 0.00 36.38 35.48 1pjz s VAL 76 CO 0.23 -0.65 0.39 -0.47 0.00 0.00 0.00 175.10 174.59 1pjz s TYR 77 N 2.10 3.34 -0.11 5.22 6.14 0.54 0.01 117.35 134.58 1pjz s TYR 77 Ca 0.08 -1.52 -0.05 0.00 0.64 0.00 0.00 57.07 56.21 1pjz s TYR 77 Cb -0.16 -3.47 -0.04 0.00 0.42 0.00 0.00 41.96 38.72 1pjz s TYR 77 CO -0.32 -0.95 0.09 0.00 0.64 0.00 0.00 175.55 175.00 1pjz s ALA 78 N 1.48 3.63 0.23 3.97 0.00 -0.54 -0.99 121.76 129.54 1pjz s ALA 78 Ca 0.04 -0.71 0.09 0.00 0.00 0.00 0.00 51.96 51.39 1pjz s ALA 78 Cb -0.27 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1pjz s ALA 78 CO 0.02 0.57 -0.07 0.00 0.00 0.00 0.00 175.76 176.28 1pjz s ALA 79 N -0.84 3.02 -0.39 0.00 0.00 -1.25 -0.39 121.76 121.91 1pjz s ALA 79 Ca 0.13 -1.60 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1pjz s ALA 79 Cb -0.12 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1pjz s ALA 79 CO 0.03 0.36 1.40 -1.25 0.00 0.00 0.00 175.76 176.30 1pjz s PRO 80 N -3.28 3.62 0.00 0.00 0.04 -1.26 -3.51 135.00 130.61 1pjz s PRO 80 Ca 0.28 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1pjz s PRO 80 Cb -0.07 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1pjz s PRO 80 CO 0.17 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1pjz n GLY 81 N 4.97 3.14 3.77 0.56 0.00 -1.26 -5.09 105.19 111.29 1pjz n GLY 81 Ca 0.16 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 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 4.24 -0.90 -0.61 -1.16 -1.23 -4.97 121.20 116.58 1pjz s ILE 82 Ca 0.00 -1.33 -0.01 0.00 -0.51 0.00 0.00 60.65 58.81 1pjz s ILE 82 Cb 0.00 -3.21 0.34 0.00 0.61 0.00 0.00 42.46 40.20 1pjz s ILE 82 CO 0.00 -0.21 1.83 -0.62 -2.81 0.00 0.00 174.94 173.13 1pjz n GLU 83 N -0.63 4.11 -3.88 3.50 1.02 -0.33 -4.00 120.64 120.44 1pjz n GLU 83 Ca -0.08 -4.19 -0.36 0.00 -0.02 0.00 0.00 57.16 52.51 1pjz n GLU 83 Cb 0.56 -2.36 -0.13 0.00 -0.02 0.00 0.00 31.44 29.49 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 -4.71 4.01 -0.39 -3.67 -1.09 -1.26 -0.67 121.20 113.43 1pjz s ILE 84 Ca 0.45 -0.28 -0.07 0.00 -2.23 0.00 0.00 60.65 58.53 1pjz s ILE 84 Cb 0.31 -2.85 0.07 0.00 -1.58 0.00 0.00 42.46 38.41 1pjz s ILE 84 CO -0.25 0.38 0.19 -1.66 -1.23 0.00 0.00 174.94 172.37 1pjz s TRP 85 N 1.40 3.35 0.24 3.97 1.48 -0.44 -3.56 118.94 125.38 1pjz s TRP 85 Ca 0.05 -1.68 -0.30 0.00 -1.06 0.00 0.00 56.10 53.11 1pjz s TRP 85 Cb -0.15 -2.76 -0.09 0.00 -1.16 0.00 0.00 33.47 29.32 1pjz s TRP 85 CO 0.01 -0.84 1.04 0.00 -4.06 0.00 0.00 176.95 173.11 1pjz n GLY 87 N 1.52 0.95 3.24 0.00 0.00 0.15 -0.34 105.19 110.70 1pjz n GLY 87 Ca -0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 1.25 -0.30 1.61 -1.08 -0.56 -0.34 116.67 113.26 1pjz s ASP 88 Ca 0.00 -1.15 0.02 0.00 -0.52 0.00 0.00 52.55 50.90 1pjz s ASP 88 Cb 0.00 0.11 0.07 0.00 -1.46 0.00 0.00 42.92 41.64 1pjz s ASP 88 CO 0.00 -0.54 -0.02 0.12 0.52 0.00 0.00 175.17 175.24 1pjz s PHE 89 N -3.63 3.42 0.00 -5.34 2.19 -1.26 -4.53 117.98 108.82 1pjz s PHE 89 Ca 0.22 -2.41 0.00 0.00 0.33 0.00 0.00 56.93 55.07 1pjz s PHE 89 Cb 0.06 -2.32 0.00 0.00 -1.31 0.00 0.00 43.02 39.45 1pjz s PHE 89 CO 0.03 -0.89 0.00 1.19 1.83 0.00 0.00 175.22 177.38 1pjz n PHE 90 N 4.44 0.00 0.00 10.12 3.72 -1.26 -5.04 117.46 129.44 1pjz n PHE 90 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1pjz n PHE 90 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 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 1.92 -1.73 4.37 0.00 -1.26 -5.10 120.51 118.71 1pjz n ALA 91 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1pjz n ALA 91 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1pjz n ALA 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pjz n LEU 92 N -1.63 0.00 -3.85 0.00 -0.00 -1.26 -5.05 117.00 105.21 1pjz n LEU 92 Ca 0.00 -0.92 -0.30 0.00 -0.00 0.00 0.00 56.01 54.79 1pjz n LEU 92 Cb 0.00 -0.54 -0.13 0.00 -0.00 0.00 0.00 43.42 42.75 1pjz n LEU 92 CO 0.00 -0.99 -0.20 -0.89 -0.00 0.00 0.00 177.39 175.31 1pjz s THR 93 N -2.46 2.14 0.20 1.47 2.01 -1.26 -4.92 115.64 112.82 1pjz s THR 93 Ca 0.42 -3.10 0.18 0.00 0.31 0.00 0.00 61.69 59.50 1pjz s THR 93 Cb -0.01 -2.48 0.18 0.00 0.01 0.00 0.00 72.50 70.19 1pjz s THR 93 CO 0.29 -0.86 1.48 0.00 -0.69 0.00 0.00 174.62 174.85 1pjz h ALA 94 N 6.49 1.24 0.01 7.40 0.00 -1.91 0.31 119.26 132.81 1pjz h ALA 94 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1pjz h ALA 94 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1pjz h ALA 94 CO 0.61 -0.24 -0.15 -0.09 0.00 0.00 0.00 179.25 179.38 1pjz h ARG 95 N 0.00 0.08 -0.29 0.00 2.43 0.48 0.47 114.38 117.55 1pjz h ARG 95 Ca 0.00 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1pjz h ARG 95 Cb 0.62 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1pjz h ARG 95 CO 0.00 0.92 0.02 0.22 -1.51 0.00 0.00 179.97 179.62 1pjz h ASP 96 N -0.71 0.49 -0.07 -3.80 1.82 -0.71 0.16 116.42 113.60 1pjz h ASP 96 Ca -0.02 -0.29 -0.02 0.00 -0.39 0.00 0.00 57.03 56.31 1pjz h ASP 96 Cb 0.98 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.86 1pjz h ASP 96 CO 0.03 0.65 -0.05 0.16 -1.61 0.00 0.00 179.24 178.42 1pjz h ILE 97 N 0.30 1.35 0.00 2.25 3.07 -1.24 -3.36 117.51 119.89 1pjz h ILE 97 Ca 0.09 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.34 1pjz h ILE 97 Cb 0.39 1.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.91 1pjz h ILE 97 CO 0.01 0.32 0.00 0.61 -1.05 0.00 0.00 178.15 178.04 1pjz n GLY 98 N 0.14 -2.81 5.07 0.16 0.00 0.16 -4.62 105.19 103.30 1pjz n GLY 98 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1pjz n GLY 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1pjz n HIS 99 N -1.18 0.00 -3.80 1.61 -0.00 0.56 -4.28 115.22 108.13 1pjz n HIS 99 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 1pjz n HIS 99 Cb 0.00 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 29.74 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1pjz n ALA 101 N 3.36 0.00 -3.74 0.00 0.00 -0.25 -1.82 120.51 118.06 1pjz n ALA 101 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.33 1pjz n ALA 101 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 1pjz n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz n ALA 102 N -0.59 -2.14 -3.61 0.00 0.00 -0.67 -0.69 120.51 112.82 1pjz n ALA 102 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 53.44 52.42 1pjz n ALA 102 Cb 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 1pjz n ALA 102 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pjz s PHE 103 N -2.82 -0.65 -0.31 0.00 -0.71 -0.19 -1.22 117.98 112.07 1pjz s PHE 103 Ca 0.18 1.48 -0.09 0.00 -1.04 0.00 0.00 56.93 57.46 1pjz s PHE 103 Cb -0.03 0.33 0.00 0.00 -1.21 0.00 0.00 43.02 42.12 1pjz s PHE 103 CO 0.05 -0.39 0.14 -0.47 -1.34 0.00 0.00 175.22 173.22 1pjz s TYR 104 N -0.09 3.18 -0.13 3.49 5.04 0.12 -0.14 117.35 128.82 1pjz s TYR 104 Ca -0.02 -0.72 -0.17 0.00 -2.44 0.00 0.00 57.07 53.73 1pjz s TYR 104 Cb -0.04 -2.34 -0.04 0.00 0.35 0.00 0.00 41.96 39.89 1pjz s TYR 104 CO 0.01 -0.51 0.42 -0.51 -1.34 0.00 0.00 175.55 173.62 1pjz s ASP 105 N 1.58 6.61 0.16 4.32 1.11 0.15 -3.78 116.67 126.82 1pjz s ASP 105 Ca 0.04 0.73 0.03 0.00 0.18 0.00 0.00 52.55 53.53 1pjz s ASP 105 Cb -0.17 -2.25 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 1pjz s ASP 105 CO 0.05 0.04 0.28 -0.60 1.18 0.00 0.00 175.17 176.12 1pjz s ARG 106 N 0.53 3.38 -0.83 8.23 6.06 -1.26 -0.16 118.95 134.90 1pjz s ARG 106 Ca 0.23 -0.65 -0.21 0.00 -2.50 0.00 0.00 55.73 52.60 1pjz s ARG 106 Cb -0.15 -2.92 -0.19 0.00 0.06 0.00 0.00 34.95 31.75 1pjz s ARG 106 CO 0.08 0.51 2.21 0.00 -2.50 0.00 0.00 175.30 175.60 1pjz n ALA 107 N -0.63 0.46 0.03 6.12 0.00 0.23 -4.33 120.51 122.40 1pjz n ALA 107 Ca -0.07 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1pjz n ALA 107 Cb 0.54 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 15.60 3.00 0.29 0.00 0.00 -1.26 -4.70 120.51 133.45 1pjz n ALA 108 Ca 0.47 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.05 1pjz n ALA 108 Cb 0.39 0.33 0.67 0.00 0.00 0.00 0.00 19.45 20.84 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 0.00 0.00 0.00 -0.00 -1.93 -0.78 114.93 112.22 1pjz h MET 109 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1pjz h MET 109 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.98 1pjz h MET 109 CO 0.00 0.00 -0.10 -0.84 -0.00 0.00 0.00 176.91 175.97 1pjz h ILE 110 N 0.00 0.26 0.02 -0.10 -2.65 -1.89 -3.03 117.51 110.11 1pjz h ILE 110 Ca 0.00 -0.81 -0.03 0.00 1.03 0.00 0.00 64.86 65.05 1pjz h ILE 110 Cb 0.22 1.64 0.00 0.00 -2.05 0.00 0.00 36.82 36.64 1pjz h ILE 110 CO 0.00 0.10 -0.13 0.00 0.03 0.00 0.00 178.15 178.15 1pjz h ALA 111 N 1.90 -0.00 -2.28 0.16 0.00 -1.39 -1.26 119.26 116.38 1pjz h ALA 111 Ca -0.00 -0.49 -0.45 0.00 0.00 0.00 0.00 54.91 53.97 1pjz h ALA 111 Cb 0.63 0.01 0.18 0.00 0.00 0.00 0.00 17.79 18.61 1pjz h ALA 111 CO 0.01 0.03 0.13 -0.48 0.00 0.00 0.00 179.25 178.94 1pjz s LEU 112 N -8.33 1.30 0.00 0.00 2.34 -1.15 -4.84 118.68 108.00 1pjz s LEU 112 Ca -0.18 1.30 0.00 0.00 0.06 0.00 0.00 54.13 55.31 1pjz s LEU 112 Cb -0.02 -3.38 0.00 0.00 -0.56 0.00 0.00 46.19 42.24 1pjz s LEU 112 CO 0.71 -3.55 0.00 -0.81 -1.06 0.00 0.00 176.35 171.65 1pjz n PRO 113 N -4.46 0.53 0.06 1.48 -0.04 -1.26 -4.77 135.00 126.54 1pjz n PRO 113 Ca 0.04 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1pjz n PRO 113 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.28 -0.99 0.55 0.00 -1.96 -1.74 119.26 112.85 1pjz h ALA 114 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1pjz h ALA 114 Cb 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.75 1pjz h ALA 114 CO 0.00 -0.26 -0.57 -0.40 0.00 0.00 0.00 179.25 178.02 1pjz n ASP 115 N -4.04 -1.02 -0.15 0.00 5.68 -1.26 0.47 116.55 116.22 1pjz n ASP 115 Ca -0.03 1.75 -0.03 0.00 -0.50 0.00 0.00 54.79 55.98 1pjz n ASP 115 Cb 0.08 -0.24 0.06 0.00 -1.14 0.00 0.00 41.12 39.88 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1pjz h MET 116 N 0.00 0.31 -0.87 0.11 4.05 -1.95 -0.27 114.93 116.31 1pjz h MET 116 Ca 0.17 -0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.69 1pjz h MET 116 Cb 0.42 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.08 1pjz h MET 116 CO -0.93 0.20 0.56 -0.09 0.23 0.00 0.00 176.91 176.88 1pjz h ARG 117 N 0.32 0.73 0.62 0.39 9.65 0.97 0.32 114.38 127.37 1pjz h ARG 117 Ca 0.23 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 1pjz h ARG 117 Cb 0.26 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1pjz h ARG 117 CO -0.25 0.48 -0.30 0.93 2.80 0.00 0.00 179.97 183.63 1pjz h GLU 118 N 0.75 -0.80 0.00 0.20 5.08 0.17 -0.78 114.58 119.20 1pjz h GLU 118 Ca 0.42 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1pjz h GLU 118 Cb 0.58 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1pjz h GLU 118 CO -0.18 -0.49 0.00 0.07 -1.00 0.00 0.00 179.01 177.41 1pjz h ARG 119 N -1.12 0.00 0.07 2.33 -0.00 -0.76 -1.26 114.38 113.63 1pjz h ARG 119 Ca -0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.79 1pjz h ARG 119 Cb 0.68 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.66 1pjz h ARG 119 CO 0.14 0.00 -0.45 -0.92 -0.00 0.00 0.00 179.97 178.74 1pjz h TYR 120 N 0.00 0.32 -0.63 4.08 5.03 -0.04 -0.98 116.97 124.75 1pjz h TYR 120 Ca 0.00 -0.22 -0.05 0.00 2.58 0.00 0.00 58.73 61.03 1pjz h TYR 120 Cb 0.01 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 1pjz h TYR 120 CO 0.00 1.14 0.19 -0.39 -1.32 0.00 0.00 178.16 177.78 1pjz h VAL 121 N -0.59 1.25 0.01 1.81 -1.51 -0.20 0.29 116.25 117.31 1pjz h VAL 121 Ca -0.07 -0.86 -0.00 0.00 -1.23 0.00 0.00 66.70 64.53 1pjz h VAL 121 Cb 1.32 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1pjz h VAL 121 CO 0.08 0.33 -0.01 0.06 -1.23 0.00 0.00 177.57 176.81 1pjz h GLN 122 N 0.91 -0.02 -0.75 5.19 3.07 -1.37 0.17 115.11 122.31 1pjz h GLN 122 Ca 0.20 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.98 1pjz h GLN 122 Cb 0.31 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.82 1pjz h GLN 122 CO -0.00 0.35 0.47 0.45 0.09 0.00 0.00 178.83 180.18 1pjz h HIS 123 N -0.39 0.87 0.74 0.06 3.86 -1.05 0.40 115.15 119.64 1pjz h HIS 123 Ca -0.00 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1pjz h HIS 123 Cb 0.38 -0.28 0.01 0.00 1.06 0.00 0.00 27.41 28.57 1pjz h HIS 123 CO 0.05 0.48 -0.36 1.25 0.86 0.00 0.00 177.93 180.21 1pjz h LEU 124 N 0.89 -0.85 -2.22 2.43 7.12 -0.34 -1.25 115.31 121.09 1pjz h LEU 124 Ca 0.31 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.36 1pjz h LEU 124 Cb 0.06 0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1pjz h LEU 124 CO -0.13 -0.53 0.26 -0.33 -0.13 0.00 0.00 178.44 177.58 1pjz h GLU 125 N -1.15 0.00 0.25 1.25 4.39 -0.47 1.57 114.58 120.42 1pjz h GLU 125 Ca -0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1pjz h GLU 125 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1pjz h GLU 125 CO 0.17 0.00 -0.12 0.00 -1.16 0.00 0.00 179.01 177.90 1pjz h ALA 126 N 1.50 -0.33 -0.00 3.43 0.00 0.35 -3.19 119.26 121.02 1pjz h ALA 126 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1pjz h ALA 126 Cb 0.53 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1pjz h ALA 126 CO -0.00 -0.37 -0.05 1.47 0.00 0.00 0.00 179.25 180.30 1pjz n LEU 127 N -5.00 0.33 -4.50 0.00 -0.00 -0.37 -4.88 117.00 102.58 1pjz n LEU 127 Ca -0.07 0.02 -0.30 0.00 -0.00 0.00 0.00 56.01 55.66 1pjz n LEU 127 Cb 0.24 -0.14 0.25 0.00 -0.00 0.00 0.00 43.42 43.77 1pjz n LEU 127 CO 0.22 0.06 0.54 -0.04 -0.00 0.00 0.00 177.39 178.17 1pjz s MET 128 N -2.32 -1.42 0.00 1.47 -1.94 0.52 0.31 119.30 115.92 1pjz s MET 128 Ca 0.35 0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.57 1pjz s MET 128 Cb 0.21 -1.55 0.00 0.00 2.01 0.00 0.00 34.83 35.50 1pjz s MET 128 CO 0.43 -3.90 0.00 -0.35 -0.01 0.00 0.00 175.02 171.19 1pjz n PRO 129 N -4.95 0.98 -0.06 2.03 -0.04 -1.25 -3.88 135.00 127.83 1pjz n PRO 129 Ca 0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 1pjz n PRO 129 Cb 0.58 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.99 1pjz n PRO 129 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1pjz n GLN 130 N -0.02 0.29 -3.55 0.54 -0.06 -0.58 -4.86 117.38 109.14 1pjz n GLN 130 Ca 0.00 0.09 -0.29 0.00 -2.00 0.00 0.00 57.00 54.80 1pjz n GLN 130 Cb 0.00 -1.11 -0.13 0.00 -4.06 0.00 0.00 30.24 24.94 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1pjz s ALA 131 N -2.24 1.07 -0.02 1.69 0.00 -0.67 -3.95 121.76 117.64 1pjz s ALA 131 Ca -0.17 -1.70 -0.17 0.00 0.00 0.00 0.00 51.96 49.92 1pjz s ALA 131 Cb 0.05 -1.58 0.03 0.00 0.00 0.00 0.00 23.12 21.62 1pjz s ALA 131 CO 0.25 -1.91 0.36 0.00 0.00 0.00 0.00 175.76 174.46 1pjz s SER 133 N -1.29 6.17 0.34 0.00 0.15 0.14 0.44 113.70 119.64 1pjz s SER 133 Ca -0.13 -0.65 -0.03 0.00 0.70 0.00 0.00 55.95 55.84 1pjz s SER 133 Cb -0.04 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 1pjz s SER 133 CO 0.05 -0.49 0.59 -0.83 1.20 0.00 0.00 173.24 173.76 1pjz s GLY 134 N 1.76 1.64 -0.26 9.45 0.00 0.15 -1.03 107.32 119.04 1pjz s GLY 134 Ca 0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 44.72 44.12 1pjz s GLY 134 CO 0.12 -0.55 0.12 -2.27 0.00 0.00 0.00 173.10 170.52 1pjz s LEU 135 N -3.97 0.49 0.09 0.66 0.20 0.80 -0.43 118.68 116.52 1pjz s LEU 135 Ca 0.43 -1.11 -0.27 0.00 0.69 0.00 0.00 54.13 53.87 1pjz s LEU 135 Cb -0.10 -0.32 -0.06 0.00 -0.43 0.00 0.00 46.19 45.28 1pjz s LEU 135 CO 0.34 -0.42 0.85 -0.22 -0.29 0.00 0.00 176.35 176.61 1pjz s LEU 136 N 2.11 4.49 -0.23 -0.68 2.96 0.05 0.32 118.68 127.71 1pjz s LEU 136 Ca 0.07 1.63 0.01 0.00 -0.22 0.00 0.00 54.13 55.62 1pjz s LEU 136 Cb -0.16 -3.39 0.06 0.00 0.50 0.00 0.00 46.19 43.19 1pjz s LEU 136 CO -0.30 0.01 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.05 1pjz s ILE 137 N -0.21 1.59 0.40 6.68 -1.09 0.78 -0.64 121.20 128.71 1pjz s ILE 137 Ca 0.42 -1.22 0.08 0.00 -2.23 0.00 0.00 60.65 57.70 1pjz s ILE 137 Cb -0.22 -1.82 -0.07 0.00 -1.58 0.00 0.00 42.46 38.77 1pjz s ILE 137 CO 0.26 -0.05 0.00 0.42 -1.23 0.00 0.00 174.94 174.34 1pjz s THR 138 N 1.37 2.09 0.12 2.92 -4.23 0.16 0.78 115.64 118.85 1pjz s THR 138 Ca -0.05 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.48 1pjz s THR 138 Cb -0.19 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1pjz s THR 138 CO -0.06 -0.04 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.11 1pjz s LEU 139 N -3.71 2.46 0.00 4.79 1.02 -1.26 0.33 118.68 122.31 1pjz s LEU 139 Ca 0.35 -0.90 0.00 0.00 0.02 0.00 0.00 54.13 53.60 1pjz s LEU 139 Cb 0.08 -0.32 0.00 0.00 0.02 0.00 0.00 46.19 45.97 1pjz s LEU 139 CO 0.18 -0.29 0.00 -1.84 0.02 0.00 0.00 176.35 174.42 1pjz n GLU 140 N 0.25 2.03 0.00 1.70 -0.00 -0.50 -1.94 120.64 122.17 1pjz n GLU 140 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.02 1pjz n GLU 140 Cb 0.59 -0.95 0.00 0.00 -0.00 0.00 0.00 31.44 31.08 1pjz n GLU 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1pjz n TYR 141 N -2.08 0.00 -0.73 -1.84 4.02 -1.23 -4.82 117.16 110.48 1pjz n TYR 141 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 1pjz n TYR 141 Cb 0.45 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.76 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 -0.33 -1.34 0.00 7.72 5.75 -1.26 -4.67 116.55 122.42 1pjz n ASP 142 Ca 0.00 0.50 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 1pjz n ASP 142 Cb 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 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 0.69 0.00 -2.71 0.11 10.64 -1.26 -4.11 117.38 120.73 1pjz n GLN 143 Ca 0.07 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 55.03 1pjz n GLN 143 Cb 0.20 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.57 1pjz n GLN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pjz n ALA 144 N 0.00 4.16 0.00 2.61 0.00 -1.26 -4.31 120.51 121.70 1pjz n ALA 144 Ca 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.47 1pjz n ALA 144 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.22 0.00 -4.75 0.00 -0.00 -1.26 -5.12 117.00 105.65 1pjz n LEU 145 Ca 0.28 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.92 1pjz n LEU 145 Cb 0.65 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 44.00 1pjz n LEU 145 CO 0.30 0.00 -0.06 -0.22 -0.00 0.00 0.00 177.39 177.41 1pjz s LEU 146 N 0.00 4.26 -0.34 1.47 2.96 -1.26 -4.80 118.68 120.96 1pjz s LEU 146 Ca 0.00 0.47 -0.38 0.00 -0.22 0.00 0.00 54.13 54.00 1pjz s LEU 146 Cb 0.00 -2.30 -0.14 0.00 0.50 0.00 0.00 46.19 44.25 1pjz s LEU 146 CO 0.00 0.15 2.04 -1.84 -1.32 0.00 0.00 176.35 175.39 1pjz n GLU 147 N 3.35 0.97 -0.81 1.98 0.28 -1.26 -4.09 120.64 121.06 1pjz n GLU 147 Ca -0.13 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1pjz n GLU 147 Cb 0.52 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 31.17 1pjz n GLU 147 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pjz n GLY 148 N 5.95 -2.06 3.62 -1.84 0.00 -1.26 -4.94 105.19 104.65 1pjz n GLY 148 Ca 0.38 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.74 3.77 0.68 1.61 0.04 -1.26 -4.74 135.00 133.36 1pjz s PRO 149 Ca 0.00 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 1pjz s PRO 149 Cb 0.00 -3.95 -0.00 0.00 0.04 0.00 0.00 34.50 30.59 1pjz s PRO 149 CO 0.00 -1.31 1.06 -1.25 0.04 0.00 0.00 177.00 175.54 1pjz s PRO 150 N 4.51 3.01 -0.16 0.56 0.04 -1.26 -4.61 135.00 137.09 1pjz s PRO 150 Ca 0.59 0.99 0.17 0.00 0.04 0.00 0.00 61.00 62.79 1pjz s PRO 150 Cb -0.16 -2.00 0.36 0.00 0.04 0.00 0.00 34.50 32.74 1pjz s PRO 150 CO 0.27 -1.04 1.23 1.19 0.04 0.00 0.00 177.00 178.69 1pjz n PHE 151 N -2.95 0.23 -2.60 0.56 3.72 -0.48 -4.88 117.46 111.06 1pjz n PHE 151 Ca 0.08 -1.08 0.00 0.00 -0.05 0.00 0.00 57.45 56.39 1pjz n PHE 151 Cb 0.53 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pjz n SER 152 N -1.21 -5.62 -4.67 4.37 3.41 -0.82 -4.76 113.62 104.32 1pjz n SER 152 Ca 0.18 0.49 -0.43 0.00 -0.26 0.00 0.00 58.87 58.86 1pjz n SER 152 Cb 0.72 -1.26 -0.02 0.00 -0.26 0.00 0.00 64.21 63.38 1pjz n SER 152 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pjz s VAL 153 N -0.51 4.17 -0.17 -3.33 1.01 -1.26 -4.97 120.40 115.33 1pjz s VAL 153 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 1pjz s VAL 153 Cb 0.00 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1pjz s VAL 153 CO 0.00 -0.07 1.28 -2.16 0.00 0.00 0.00 175.10 174.15 1pjz s PRO 154 N 2.98 4.20 0.43 2.72 0.04 -1.26 -4.88 135.00 139.22 1pjz s PRO 154 Ca 0.57 1.65 0.28 0.00 0.04 0.00 0.00 61.00 63.54 1pjz s PRO 154 Cb -0.24 -3.79 1.38 0.00 0.04 0.00 0.00 34.50 31.89 1pjz s PRO 154 CO 0.19 -0.75 1.63 0.37 0.04 0.00 0.00 177.00 178.48 1pjz h GLN 155 N 8.36 0.11 -0.93 4.56 -0.00 -1.96 1.73 115.11 126.98 1pjz h GLN 155 Ca -0.27 -0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.46 1pjz h GLN 155 Cb 1.11 -0.03 -0.07 0.00 0.00 0.00 0.00 27.48 28.49 1pjz h GLN 155 CO 0.98 0.07 0.60 0.00 0.00 0.00 0.00 178.83 180.48 1pjz h THR 156 N 0.12 1.00 0.27 2.39 1.03 -1.98 -0.14 112.91 115.60 1pjz h THR 156 Ca 0.80 -0.34 -0.01 0.00 -0.01 0.00 0.00 66.41 66.85 1pjz h THR 156 Cb 2.43 -0.06 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 1pjz h THR 156 CO -0.44 0.18 -0.13 -0.25 -0.01 0.00 0.00 175.52 174.87 1pjz h TRP 157 N 0.98 -0.33 -0.90 0.00 7.01 0.22 0.59 115.95 123.52 1pjz h TRP 157 Ca 0.42 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.57 1pjz h TRP 157 Cb 0.33 0.11 -0.07 0.00 -2.10 0.00 0.00 29.16 27.43 1pjz h TRP 157 CO -0.00 -0.20 0.58 -0.07 -2.79 0.00 0.00 178.44 175.96 1pjz h LEU 158 N -0.37 0.64 -0.49 0.65 3.38 -1.13 1.04 115.31 119.02 1pjz h LEU 158 Ca -0.04 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pjz h LEU 158 Cb 0.28 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1pjz h LEU 158 CO 0.06 0.31 -0.03 -0.74 0.09 0.00 0.00 178.44 178.13 1pjz h HIS 159 N 0.67 0.00 0.14 1.13 2.76 -0.08 0.79 115.15 120.55 1pjz h HIS 159 Ca 0.46 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.33 1pjz h HIS 159 Cb 0.78 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.74 1pjz h HIS 159 CO -0.00 0.03 -1.42 0.07 -1.30 0.00 0.00 177.93 175.31 1pjz h ARG 160 N 0.00 0.29 0.00 5.26 0.11 0.64 -3.33 114.38 117.35 1pjz h ARG 160 Ca -0.00 -0.50 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1pjz h ARG 160 Cb 0.86 0.19 0.00 0.00 1.11 0.00 0.00 29.97 32.13 1pjz h ARG 160 CO 0.00 1.19 0.00 1.55 0.10 0.00 0.00 179.97 182.82 1pjz n VAL 161 N -3.51 0.00 -0.50 0.08 3.14 0.16 -4.65 118.33 113.05 1pjz n VAL 161 Ca -0.14 0.13 0.42 0.00 -2.96 0.00 0.00 64.34 61.79 1pjz n VAL 161 Cb 1.04 -1.05 0.65 0.00 -1.06 0.00 0.00 33.84 33.41 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 -2.20 0.01 -1.58 1.45 2.81 0.21 -4.41 117.12 113.41 1pjz n MET 162 Ca 0.00 1.03 -0.55 0.00 -1.81 0.00 0.00 57.70 56.37 1pjz n MET 162 Cb 0.00 -2.44 -0.07 0.00 -0.71 0.00 0.00 33.22 30.00 1pjz n MET 162 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pjz n SER 163 N -3.58 2.24 0.00 7.83 2.88 0.21 -4.00 113.62 119.20 1pjz n SER 163 Ca 0.35 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1pjz n SER 163 Cb 1.77 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1pjz n SER 163 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pjz n GLY 164 N 5.34 0.76 0.00 0.46 0.00 -1.26 -4.96 105.19 105.53 1pjz n GLY 164 Ca 0.34 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.78 1.61 3.02 -1.26 -5.10 115.26 109.75 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 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.25 -0.78 3.10 -2.14 -1.26 -0.89 118.94 116.73 1pjz s TRP 166 Ca 0.00 0.60 -0.19 0.00 2.66 0.00 0.00 56.10 59.17 1pjz s TRP 166 Cb 0.00 0.06 0.13 0.00 -3.10 0.00 0.00 33.47 30.56 1pjz s TRP 166 CO 0.00 -0.14 0.92 -1.21 -2.66 0.00 0.00 176.95 173.87 1pjz s GLU 167 N 0.38 3.37 0.09 3.25 0.41 -0.37 -4.62 118.70 121.22 1pjz s GLU 167 Ca -0.02 -1.62 -0.30 0.00 -0.41 0.00 0.00 54.97 52.61 1pjz s GLU 167 Cb -0.04 -4.55 -0.06 0.00 -1.78 0.00 0.00 34.13 27.70 1pjz s GLU 167 CO -0.02 -1.63 1.08 0.14 -0.49 0.00 0.00 175.26 174.34 1pjz s VAL 168 N 2.46 4.24 -0.12 2.63 -7.23 -1.22 -0.38 120.40 120.77 1pjz s VAL 168 Ca 0.23 1.73 0.02 0.00 -1.81 0.00 0.00 61.98 62.15 1pjz s VAL 168 Cb -0.13 -4.11 0.02 0.00 0.56 0.00 0.00 36.38 32.72 1pjz s VAL 168 CO -0.02 0.21 -0.16 0.28 -0.31 0.00 0.00 175.10 175.09 1pjz s THR 169 N 0.48 1.60 -0.02 5.32 -1.32 0.20 -4.87 115.64 117.04 1pjz s THR 169 Ca 0.52 -0.69 -0.35 0.00 -1.21 0.00 0.00 61.69 59.96 1pjz s THR 169 Cb -0.27 -1.47 -0.14 0.00 -1.51 0.00 0.00 72.50 69.12 1pjz s THR 169 CO 0.31 0.46 1.70 2.29 -2.21 0.00 0.00 174.62 177.17 1pjz n LYS 170 N 4.31 1.86 -1.88 7.08 2.85 -1.26 -0.96 118.16 130.15 1pjz n LYS 170 Ca -0.19 0.68 -0.02 0.00 -1.05 0.00 0.00 58.31 57.73 1pjz n LYS 170 Cb 0.51 -2.45 0.01 0.00 -0.65 0.00 0.00 35.03 32.45 1pjz n LYS 170 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1pjz n VAL 171 N 4.19 0.00 0.00 0.58 3.14 0.23 -4.87 118.33 121.60 1pjz n VAL 171 Ca 0.21 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1pjz n VAL 171 Cb 0.25 0.23 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 1pjz n VAL 171 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pjz n GLY 172 N -0.16 0.19 3.53 7.55 0.00 -1.23 -0.63 105.19 114.44 1pjz n GLY 172 Ca -0.01 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 1pjz n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pjz s GLY 173 N 0.00 -0.48 0.22 -0.02 0.00 -0.28 -4.86 107.32 101.90 1pjz s GLY 173 Ca 0.00 1.82 0.05 0.00 0.00 0.00 0.00 44.72 46.59 1pjz s GLY 173 CO 0.00 1.61 0.27 1.20 0.00 0.00 0.00 173.10 176.19 1pjz s GLN 174 N 0.50 3.23 -1.00 2.90 -0.21 -1.26 -1.07 119.66 122.75 1pjz s GLN 174 Ca -0.01 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.53 1pjz s GLN 174 Cb -0.05 -2.78 0.00 0.00 1.00 0.00 0.00 33.01 31.18 1pjz s GLN 174 CO -0.02 0.44 0.00 -3.47 -2.12 0.00 0.00 175.29 170.13 1pjz n ASP 175 N -1.08 -2.69 -3.85 5.90 -0.08 -1.19 -4.82 116.55 108.74 1pjz n ASP 175 Ca -0.08 0.24 -0.34 0.00 -1.51 0.00 0.00 54.79 53.10 1pjz n ASP 175 Cb 0.56 -2.58 -0.05 0.00 2.34 0.00 0.00 41.12 41.39 1pjz n ASP 175 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1pjz n THR 176 N -1.93 3.33 0.03 5.18 5.66 -1.00 -4.70 114.28 120.86 1pjz n THR 176 Ca -0.10 -5.35 -0.12 0.00 -3.05 0.00 0.00 64.05 55.43 1pjz n THR 176 Cb 0.37 -2.20 -0.01 0.00 -1.55 0.00 0.00 70.33 66.94 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 5.22 0.62 -5.00 1.09 7.12 -1.87 -3.31 115.31 119.17 1pjz h LEU 177 Ca 0.18 -0.42 -0.23 0.00 0.13 0.00 0.00 57.88 57.55 1pjz h LEU 177 Cb 0.71 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1pjz h LEU 177 CO 0.97 1.18 1.31 0.00 -0.13 0.00 0.00 178.44 181.77 1pjz n HIS 178 N -3.86 0.65 0.00 1.25 1.44 -1.26 -2.25 115.22 111.19 1pjz n HIS 178 Ca -0.05 -1.34 0.00 0.00 -2.01 0.00 0.00 57.72 54.32 1pjz n HIS 178 Cb 0.73 -1.32 0.00 0.00 0.12 0.00 0.00 29.99 29.52 1pjz n HIS 178 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1pjz n SER 179 N 3.53 0.00 -4.56 4.39 7.64 -1.25 -4.85 113.62 118.52 1pjz n SER 179 Ca 0.32 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.77 1pjz n SER 179 Cb 0.29 0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 1pjz n SER 179 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1pjz s SER 180 N -1.82 6.48 0.12 6.43 0.15 -0.95 -4.12 113.70 119.99 1pjz s SER 180 Ca 0.00 0.08 -0.34 0.00 0.70 0.00 0.00 55.95 56.39 1pjz s SER 180 Cb 0.00 -2.46 -0.13 0.00 -1.71 0.00 0.00 66.02 61.72 1pjz s SER 180 CO 0.00 -1.11 1.55 0.00 1.20 0.00 0.00 173.24 174.89 1pjz h ALA 181 N 9.14 -0.89 -1.80 5.45 0.00 -1.91 0.47 119.26 129.73 1pjz h ALA 181 Ca -0.24 -0.06 0.52 0.00 0.00 0.00 0.00 54.91 55.13 1pjz h ALA 181 Cb 1.07 1.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.79 1pjz h ALA 181 CO 1.05 -1.09 1.36 0.54 0.00 0.00 0.00 179.25 181.11 1pjz n ARG 182 N -5.44 0.00 0.21 0.00 5.12 -1.26 0.02 116.66 115.32 1pjz n ARG 182 Ca -0.06 1.05 -0.09 0.00 -1.93 0.00 0.00 57.85 56.82 1pjz n ARG 182 Cb 0.38 -2.45 -0.04 0.00 -1.16 0.00 0.00 32.46 29.19 1pjz n ARG 182 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1pjz h GLY 183 N 0.00 -0.60 2.00 -0.13 0.00 -0.37 0.54 103.07 104.51 1pjz h GLY 183 Ca 0.85 0.22 0.00 0.00 0.00 0.00 0.00 47.33 48.40 1pjz h GLY 183 CO -0.01 -0.22 0.00 1.04 0.00 0.00 0.00 176.54 177.35 1pjz n LEU 184 N -4.10 0.55 0.03 3.11 7.99 0.10 0.21 117.00 124.89 1pjz n LEU 184 Ca -0.07 0.75 -0.20 0.00 -0.01 0.00 0.00 56.01 56.48 1pjz n LEU 184 Cb 0.23 -0.81 -0.14 0.00 -0.11 0.00 0.00 43.42 42.58 1pjz n LEU 184 CO 0.17 -0.92 0.03 0.50 -1.51 0.00 0.00 177.39 175.67 1pjz h LYS 185 N 0.00 0.26 0.13 3.23 3.64 -0.60 -3.35 116.57 119.88 1pjz h LYS 185 Ca 0.00 -0.44 -0.30 0.00 -1.27 0.00 0.00 60.65 58.64 1pjz h LYS 185 Cb 0.02 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1pjz h LYS 185 CO 0.00 1.21 -1.46 0.00 -2.27 0.00 0.00 179.45 176.93 1pjz h ALA 186 N 0.05 0.19 -0.33 5.00 0.00 0.84 -3.49 119.26 121.52 1pjz h ALA 186 Ca -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1pjz h ALA 186 Cb 1.58 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1pjz h ALA 186 CO 0.12 1.06 0.00 0.41 0.00 0.00 0.00 179.25 180.84 1pjz n GLY 187 N 1.65 0.80 0.08 0.00 0.00 0.57 -4.87 105.19 103.42 1pjz n GLY 187 Ca -0.15 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1pjz n GLY 187 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pjz h LEU 188 N 0.00 0.00 0.00 0.99 -0.00 -1.83 -3.48 115.31 110.99 1pjz h LEU 188 Ca 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 57.88 57.30 1pjz h LEU 188 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1pjz h LEU 188 CO 0.00 1.05 0.00 -1.84 -0.00 0.00 0.00 178.44 177.65 1pjz n GLU 189 N -4.58 0.00 0.00 1.13 -0.00 -1.26 -4.83 120.64 111.10 1pjz n GLU 189 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.01 1pjz n GLU 189 Cb 0.45 -2.69 0.00 0.00 -0.00 0.00 0.00 31.44 29.19 1pjz n GLU 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1pjz n ARG 190 N -2.00 0.00 -3.55 3.44 1.74 -1.26 -4.92 116.66 110.12 1pjz n ARG 190 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1pjz n ARG 190 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 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 0.81 -0.16 5.56 0.23 -1.26 -4.83 119.30 119.66 1pjz s MET 191 Ca 0.00 0.16 -0.19 0.00 -1.03 0.00 0.00 55.69 54.63 1pjz s MET 191 Cb 0.00 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 1pjz s MET 191 CO 0.00 -0.26 0.52 0.34 -2.03 0.00 0.00 175.02 173.59 1pjz s ASP 192 N -1.25 6.65 -0.19 -1.18 -1.08 -1.26 -2.38 116.67 115.98 1pjz s ASP 192 Ca -0.05 0.77 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 1pjz s ASP 192 Cb -0.00 -2.30 0.01 0.00 -1.46 0.00 0.00 42.92 39.17 1pjz s ASP 192 CO 0.04 -0.11 -0.17 -0.70 0.52 0.00 0.00 175.17 174.76 1pjz s GLU 193 N 1.18 3.08 -0.24 4.34 2.12 -0.24 -1.41 118.70 127.53 1pjz s GLU 193 Ca 0.26 -0.78 -0.09 0.00 0.36 0.00 0.00 54.97 54.72 1pjz s GLU 193 Cb -0.15 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 1pjz s GLU 193 CO 0.10 -0.19 0.11 -1.58 -0.54 0.00 0.00 175.26 173.16 1pjz s HIS 194 N 1.29 3.18 0.35 5.30 2.46 0.15 -1.12 115.29 126.90 1pjz s HIS 194 Ca 0.04 -0.10 0.09 0.00 0.47 0.00 0.00 55.06 55.56 1pjz s HIS 194 Cb -0.13 -2.24 -0.07 0.00 -0.13 0.00 0.00 32.58 30.01 1pjz s HIS 194 CO -0.10 -0.15 -0.06 0.14 -2.47 0.00 0.00 174.74 172.10 1pjz s VAL 195 N 1.32 2.26 -0.18 0.89 -7.23 0.20 0.40 120.40 118.07 1pjz s VAL 195 Ca 0.06 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 1pjz s VAL 195 Cb -0.15 -2.72 0.06 0.00 0.56 0.00 0.00 36.38 34.13 1pjz s VAL 195 CO 0.05 -0.17 0.44 -0.31 -0.31 0.00 0.00 175.10 174.80 1pjz s TYR 196 N -2.61 -0.61 -0.51 2.82 2.02 0.18 -0.60 117.35 118.04 1pjz s TYR 196 Ca 0.33 1.33 -0.25 0.00 -0.37 0.00 0.00 57.07 58.11 1pjz s TYR 196 Cb 0.03 0.27 0.03 0.00 -0.40 0.00 0.00 41.96 41.90 1pjz s TYR 196 CO 0.17 -0.33 0.95 0.08 -1.57 0.00 0.00 175.55 174.85 1pjz s VAL 197 N 1.15 4.40 -0.46 0.71 1.01 -0.14 -0.77 120.40 126.30 1pjz s VAL 197 Ca -0.07 0.55 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 1pjz s VAL 197 Cb -0.07 -4.50 0.07 0.00 0.00 0.00 0.00 36.38 31.88 1pjz s VAL 197 CO -0.10 -1.00 0.37 -0.76 0.00 0.00 0.00 175.10 173.61 1pjz s LEU 198 N 3.93 5.55 -0.84 3.92 1.02 0.43 0.62 118.68 133.30 1pjz s LEU 198 Ca 0.35 -1.36 -0.25 0.00 0.02 0.00 0.00 54.13 52.88 1pjz s LEU 198 Cb -0.11 -2.15 0.02 0.00 0.02 0.00 0.00 46.19 43.97 1pjz s LEU 198 CO 0.23 -0.63 1.55 -0.70 0.02 0.00 0.00 176.35 176.82 1pjz s GLU 199 N 1.60 3.12 -0.53 1.70 2.56 0.49 0.34 118.70 127.98 1pjz s GLU 199 Ca 0.04 -0.40 -0.26 0.00 0.00 0.00 0.00 54.97 54.35 1pjz s GLU 199 Cb -0.24 -4.76 -0.05 0.00 2.00 0.00 0.00 34.13 31.08 1pjz s GLU 199 CO 0.06 -2.48 2.21 0.50 -0.56 0.00 0.00 175.26 174.99 1pjz s ARG 200 N 5.92 2.29 0.00 4.30 3.00 0.17 -1.23 118.95 133.40 1pjz s ARG 200 Ca 0.50 1.12 0.31 0.00 -1.00 0.00 0.00 55.73 56.66 1pjz s ARG 200 Cb -0.06 -4.51 1.65 0.00 0.00 0.00 0.00 34.95 32.03 1pjz s ARG 200 CO 0.05 -3.08 2.08 1.33 0.00 0.00 0.00 175.30 175.68