#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 0.00 0.00 -0.41 6.02 -1.26 -4.79 117.38 116.94 1pjz n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1pjz n GLN 2 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1pjz n GLN 2 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1pjz n SER 3 N 1.24 0.00 -3.41 1.08 2.88 -1.26 -3.68 113.62 110.47 1pjz n SER 3 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1pjz n SER 3 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1pjz n SER 3 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1pjz s GLU 4 N 0.00 0.74 -0.04 -1.46 -1.05 -1.26 -5.10 118.70 110.53 1pjz s GLU 4 Ca 0.00 -1.72 0.02 0.00 -0.15 0.00 0.00 54.97 53.12 1pjz s GLU 4 Cb 0.00 -1.32 0.01 0.00 -0.44 0.00 0.00 34.13 32.38 1pjz s GLU 4 CO 0.00 -1.31 -0.09 0.54 0.95 0.00 0.00 175.26 175.35 1pjz s VAL 5 N 0.55 0.83 -0.40 1.83 0.11 -1.24 -4.47 120.40 117.61 1pjz s VAL 5 Ca 0.26 -0.35 -0.28 0.00 -2.93 0.00 0.00 61.98 58.68 1pjz s VAL 5 Cb -0.08 -0.76 -0.13 0.00 -1.53 0.00 0.00 36.38 33.87 1pjz s VAL 5 CO -0.10 0.27 1.51 -3.20 -3.33 0.00 0.00 175.10 170.25 1pjz n ASN 6 N 3.56 0.45 -0.37 3.54 5.15 -1.26 -4.65 115.26 121.67 1pjz n ASN 6 Ca -0.21 0.39 0.32 0.00 -0.60 0.00 0.00 54.58 54.49 1pjz n ASN 6 Cb 0.53 -0.61 0.65 0.00 -0.53 0.00 0.00 39.78 39.82 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 6.42 0.16 0.20 1.20 -0.00 -1.96 0.47 116.57 123.04 1pjz h LYS 7 Ca -0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.65 60.57 1pjz h LYS 7 Cb 0.94 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.14 1pjz h LYS 7 CO 0.77 0.10 -0.09 -0.44 -0.00 0.00 0.00 179.45 179.79 1pjz h ASP 8 N 0.16 -0.22 0.00 7.07 3.32 -1.97 0.29 116.42 125.07 1pjz h ASP 8 Ca 0.65 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.46 1pjz h ASP 8 Cb 2.16 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 41.73 1pjz h ASP 8 CO -0.19 0.17 -0.35 0.25 -1.72 0.00 0.00 179.24 177.39 1pjz h LEU 9 N -0.65 -1.09 -1.86 1.55 7.12 -0.47 2.79 115.31 122.70 1pjz h LEU 9 Ca -0.03 0.12 0.08 0.00 0.13 0.00 0.00 57.88 58.19 1pjz h LEU 9 Cb 0.47 0.41 -0.02 0.00 -0.53 0.00 0.00 40.66 40.99 1pjz h LEU 9 CO 0.04 -0.35 0.28 0.06 -0.13 0.00 0.00 178.44 178.34 1pjz h GLN 10 N -0.45 0.17 0.00 1.25 -0.00 -1.21 0.28 115.11 115.15 1pjz h GLN 10 Ca 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1pjz h GLN 10 Cb 0.48 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.92 1pjz h GLN 10 CO -0.24 0.11 0.00 0.94 -0.00 0.00 0.00 178.83 179.64 1pjz n GLN 11 N -4.46 0.00 -0.32 0.06 7.27 0.10 -0.41 117.38 119.61 1pjz n GLN 11 Ca 0.06 0.24 0.23 0.00 0.07 0.00 0.00 57.00 57.60 1pjz n GLN 11 Cb 0.35 -0.86 0.45 0.00 2.41 0.00 0.00 30.24 32.59 1pjz n GLN 11 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 1pjz h TYR 12 N 0.00 0.71 -0.25 3.69 0.05 0.48 1.26 116.97 122.92 1pjz h TYR 12 Ca 0.00 0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.70 1pjz h TYR 12 Cb 0.00 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 1pjz h TYR 12 CO 0.03 -0.27 -0.31 2.35 -1.05 0.00 0.00 178.16 178.90 1pjz h TRP 13 N 0.20 0.79 -0.53 4.88 2.91 -0.54 1.57 115.95 125.23 1pjz h TRP 13 Ca 0.71 -0.25 0.15 0.00 1.13 0.00 0.00 58.89 60.63 1pjz h TRP 13 Cb 1.65 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 30.12 1pjz h TRP 13 CO -0.10 0.99 0.38 0.77 -1.03 0.00 0.00 178.44 179.45 1pjz h SER 14 N 0.37 0.01 0.00 2.65 0.02 0.43 -1.02 113.55 116.01 1pjz h SER 14 Ca 0.03 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.70 1pjz h SER 14 Cb 0.89 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 1pjz h SER 14 CO 0.07 0.01 -1.68 -0.24 -1.14 0.00 0.00 176.83 173.85 1pjz n SER 15 N -4.38 1.90 -0.34 3.07 2.88 0.38 -4.39 113.62 112.73 1pjz n SER 15 Ca 0.10 0.40 0.03 0.00 -1.33 0.00 0.00 58.87 58.07 1pjz n SER 15 Cb 0.60 -0.88 0.09 0.00 -0.75 0.00 0.00 64.21 63.27 1pjz n SER 15 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1pjz n LEU 16 N -4.38 -0.45 -2.79 2.46 4.32 0.53 -4.82 117.00 111.88 1pjz n LEU 16 Ca -0.37 1.60 -0.12 0.00 -0.02 0.00 0.00 56.01 57.10 1pjz n LEU 16 Cb 0.71 -0.43 0.06 0.00 -1.62 0.00 0.00 43.42 42.14 1pjz n LEU 16 CO 0.12 -1.49 0.06 -3.20 -1.22 0.00 0.00 177.39 171.66 1pjz n ASN 17 N -5.44 -3.16 -4.76 -1.43 5.15 -0.41 -4.93 115.26 100.27 1pjz n ASN 17 Ca 0.12 -0.48 -0.40 0.00 -0.60 0.00 0.00 54.58 53.23 1pjz n ASN 17 Cb 0.42 -3.92 0.02 0.00 -0.53 0.00 0.00 39.78 35.77 1pjz n ASN 17 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1pjz n VAL 18 N -3.12 2.83 -1.12 3.44 0.31 -1.26 -4.87 118.33 114.53 1pjz n VAL 18 Ca -0.16 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.31 1pjz n VAL 18 Cb 0.61 -1.83 0.01 0.00 -0.91 0.00 0.00 33.84 31.72 1pjz n VAL 18 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1pjz n VAL 19 N -0.24 0.00 -2.34 2.52 0.24 -1.26 -4.74 118.33 112.51 1pjz n VAL 19 Ca 0.05 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.34 61.47 1pjz n VAL 19 Cb 0.41 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.76 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 -1.04 3.42 0.00 7.34 0.04 -1.26 -2.13 135.00 141.37 1pjz s PRO 20 Ca 0.51 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1pjz s PRO 20 Cb -0.42 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1pjz s PRO 20 CO 0.63 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 176.31 1pjz n GLY 21 N 5.19 0.50 2.76 0.56 0.00 -1.04 -5.02 105.19 108.14 1pjz n GLY 21 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.60 -3.95 -2.65 4.61 0.00 -0.91 -3.26 120.51 112.76 1pjz n ALA 22 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1pjz n ALA 22 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.29 4.24 -0.31 0.00 1.81 -0.71 -1.50 118.95 121.18 1pjz s ARG 23 Ca 0.43 1.16 -0.08 0.00 -1.72 0.00 0.00 55.73 55.52 1pjz s ARG 23 Cb -0.31 -3.63 0.01 0.00 -0.45 0.00 0.00 34.95 30.57 1pjz s ARG 23 CO 0.65 -0.55 0.11 0.08 -0.68 0.00 0.00 175.30 174.91 1pjz s VAL 24 N 2.93 4.15 -0.04 3.52 1.01 0.11 -1.66 120.40 130.43 1pjz s VAL 24 Ca 0.40 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 1pjz s VAL 24 Cb -0.15 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1pjz s VAL 24 CO 0.07 0.02 0.28 -0.22 0.00 0.00 0.00 175.10 175.26 1pjz s LEU 25 N 1.52 4.42 -0.29 3.92 1.98 -0.35 0.38 118.68 130.26 1pjz s LEU 25 Ca 0.03 0.70 -0.03 0.00 -2.89 0.00 0.00 54.13 51.94 1pjz s LEU 25 Cb -0.18 -2.43 0.10 0.00 0.66 0.00 0.00 46.19 44.34 1pjz s LEU 25 CO 0.04 0.33 0.11 -0.69 -1.89 0.00 0.00 176.35 174.25 1pjz s VAL 26 N -1.12 0.35 -0.05 1.68 1.01 0.30 0.07 120.40 122.65 1pjz s VAL 26 Ca 0.22 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1pjz s VAL 26 Cb -0.14 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1pjz s VAL 26 CO 0.11 -0.68 1.22 -2.16 0.00 0.00 0.00 175.10 173.58 1pjz s PRO 27 N 1.89 4.35 0.00 2.72 0.04 -1.24 -0.66 135.00 142.09 1pjz s PRO 27 Ca 0.09 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1pjz s PRO 27 Cb -0.17 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1pjz s PRO 27 CO -0.30 -0.46 0.00 1.47 0.04 0.00 0.00 177.00 177.75 1pjz n LEU 28 N 5.22 -0.71 0.00 -3.56 -0.00 -1.11 -4.34 117.00 112.51 1pjz n LEU 28 Ca 0.11 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1pjz n LEU 28 Cb 0.46 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 1pjz n LEU 28 CO 0.55 -0.29 0.00 0.00 -0.00 0.00 0.00 177.39 177.66 1pjz n GLY 30 N 0.94 1.21 3.59 0.00 0.00 -1.20 -4.88 105.19 104.85 1pjz n GLY 30 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 1pjz n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pjz s LYS 31 N 0.00 0.69 0.13 1.61 2.36 -1.26 -4.80 119.74 118.46 1pjz s LYS 31 Ca 0.00 0.40 -0.19 0.00 -2.55 0.00 0.00 55.97 53.63 1pjz s LYS 31 Cb 0.00 0.33 0.07 0.00 -1.05 0.00 0.00 37.83 37.17 1pjz s LYS 31 CO 0.00 -0.17 0.92 0.45 1.55 0.00 0.00 175.35 178.10 1pjz n SER 32 N 1.43 -1.40 0.23 1.43 2.88 -1.26 -4.98 113.62 111.95 1pjz n SER 32 Ca -0.13 -1.68 0.18 0.00 -1.33 0.00 0.00 58.87 55.91 1pjz n SER 32 Cb 0.57 2.27 0.86 0.00 -0.75 0.00 0.00 64.21 67.16 1pjz n SER 32 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1pjz h GLN 33 N 0.00 0.00 0.85 -1.46 1.08 -1.92 -1.33 115.11 112.33 1pjz h GLN 33 Ca -0.22 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.94 1pjz h GLN 33 Cb 1.02 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.46 1pjz h GLN 33 CO 0.30 0.00 -0.41 0.38 -0.95 0.00 0.00 178.83 178.16 1pjz h ASP 34 N 0.00 -0.96 -0.38 1.46 3.04 -1.93 0.44 116.42 118.09 1pjz h ASP 34 Ca 0.08 0.03 -0.03 0.00 -3.24 0.00 0.00 57.03 53.87 1pjz h ASP 34 Cb 0.57 0.25 -0.02 0.00 -1.04 0.00 0.00 39.33 39.10 1pjz h ASP 34 CO -0.00 -0.69 0.13 0.24 -2.04 0.00 0.00 179.24 176.88 1pjz h MET 35 N -1.14 0.59 0.00 4.15 2.86 -1.70 -0.92 114.93 118.77 1pjz h MET 35 Ca -0.12 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1pjz h MET 35 Cb 0.87 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 1pjz h MET 35 CO 0.19 0.59 -0.02 1.03 1.06 0.00 0.00 176.91 179.76 1pjz h SER 36 N 0.47 0.00 0.00 1.22 0.87 -1.21 -0.83 113.55 114.08 1pjz h SER 36 Ca 0.12 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1pjz h SER 36 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1pjz h SER 36 CO -0.01 0.02 -0.18 -0.25 -0.53 0.00 0.00 176.83 175.88 1pjz h TRP 37 N 0.00 0.18 0.00 2.24 7.01 0.63 -0.63 115.95 125.38 1pjz h TRP 37 Ca -0.00 -0.10 0.03 0.00 2.11 0.00 0.00 58.89 60.93 1pjz h TRP 37 Cb 0.04 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.03 1pjz h TRP 37 CO 0.00 0.90 -0.37 -0.07 -2.79 0.00 0.00 178.44 176.11 1pjz h LEU 38 N -0.60 -1.13 -0.34 0.65 -0.00 -0.18 -1.52 115.31 112.19 1pjz h LEU 38 Ca -0.02 0.14 0.02 0.00 -0.00 0.00 0.00 57.88 58.01 1pjz h LEU 38 Cb 0.95 0.45 -0.02 0.00 -0.00 0.00 0.00 40.66 42.03 1pjz h LEU 38 CO 0.03 -0.43 0.19 -1.28 -0.00 0.00 0.00 178.44 176.96 1pjz h SER 39 N -0.53 0.30 -0.07 -0.43 0.87 -1.29 -0.26 113.55 112.15 1pjz h SER 39 Ca 0.05 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1pjz h SER 39 Cb 0.61 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1pjz h SER 39 CO -0.29 0.22 0.53 1.23 -0.53 0.00 0.00 176.83 177.99 1pjz h GLY 40 N 0.39 0.00 0.12 5.77 0.00 -0.28 1.27 103.07 110.35 1pjz h GLY 40 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 1pjz h GLY 40 CO -0.07 0.00 -2.05 -1.06 0.00 0.00 0.00 176.54 173.37 1pjz n GLN 41 N -2.89 0.66 0.00 4.80 1.13 -0.22 -5.01 117.38 115.85 1pjz n GLN 41 Ca 0.00 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1pjz n GLN 41 Cb 0.59 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 29.38 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 1.44 0.85 3.37 1.08 0.00 0.44 -4.96 105.19 107.41 1pjz n GLY 42 Ca -0.14 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.79 1.72 -0.90 1.61 1.51 -1.03 -2.49 117.35 115.98 1pjz s TYR 43 Ca 0.00 -0.92 -0.25 0.00 -1.01 0.00 0.00 57.07 54.89 1pjz s TYR 43 Cb 0.00 -1.03 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1pjz s TYR 43 CO 0.00 -0.00 1.43 -1.01 -1.11 0.00 0.00 175.55 174.86 1pjz s HIS 44 N -3.36 2.37 -0.82 2.71 3.76 -0.56 -4.38 115.29 115.01 1pjz s HIS 44 Ca 0.31 -0.41 -0.26 0.00 -0.15 0.00 0.00 55.06 54.56 1pjz s HIS 44 Cb 0.06 -4.61 0.04 0.00 1.11 0.00 0.00 32.58 29.17 1pjz s HIS 44 CO 0.11 -1.99 1.34 0.08 -0.85 0.00 0.00 174.74 173.42 1pjz s VAL 45 N 5.70 3.77 -0.10 -0.90 1.01 -1.26 0.09 120.40 128.72 1pjz s VAL 45 Ca 0.44 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1pjz s VAL 45 Cb -0.04 -4.95 -0.02 0.00 0.00 0.00 0.00 36.38 31.38 1pjz s VAL 45 CO 0.01 -1.87 -0.15 -0.69 0.00 0.00 0.00 175.10 172.39 1pjz s VAL 46 N 5.56 2.91 0.20 2.92 1.01 0.16 -0.85 120.40 132.31 1pjz s VAL 46 Ca 0.39 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 1pjz s VAL 46 Cb -0.06 -2.18 0.05 0.00 0.00 0.00 0.00 36.38 34.19 1pjz s VAL 46 CO 0.08 0.55 0.66 -0.83 0.00 0.00 0.00 175.10 175.55 1pjz s GLY 47 N 0.03 -0.41 0.11 4.51 0.00 -0.42 0.11 107.32 111.25 1pjz s GLY 47 Ca -0.05 0.19 0.06 0.00 0.00 0.00 0.00 44.72 44.92 1pjz s GLY 47 CO 0.04 0.07 -0.15 0.00 0.00 0.00 0.00 173.10 173.06 1pjz s ALA 48 N -3.79 1.47 -0.22 3.20 0.00 0.17 -1.27 121.76 121.32 1pjz s ALA 48 Ca 0.05 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1pjz s ALA 48 Cb -0.03 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1pjz s ALA 48 CO -0.05 0.15 -0.13 -2.00 0.00 0.00 0.00 175.76 173.74 1pjz s GLU 49 N -2.37 2.84 -1.27 0.00 -6.30 -0.48 -1.75 118.70 109.37 1pjz s GLU 49 Ca 0.06 -0.95 -0.08 0.00 -2.50 0.00 0.00 54.97 51.49 1pjz s GLU 49 Cb -0.07 -2.80 0.18 0.00 0.00 0.00 0.00 34.13 31.44 1pjz s GLU 49 CO 0.03 -0.34 1.89 1.28 0.02 0.00 0.00 175.26 178.15 1pjz n LEU 50 N 4.62 6.78 -3.71 2.70 7.99 -1.21 0.52 117.00 134.67 1pjz n LEU 50 Ca -0.18 -4.72 -0.12 0.00 -0.01 0.00 0.00 56.01 50.98 1pjz n LEU 50 Cb 0.48 -1.45 -0.10 0.00 -0.11 0.00 0.00 43.42 42.24 1pjz n LEU 50 CO 0.26 1.48 0.09 -0.94 -1.51 0.00 0.00 177.39 176.76 1pjz s SER 51 N 0.56 -0.49 -0.25 -1.43 1.04 0.56 -4.98 113.70 108.71 1pjz s SER 51 Ca 0.40 0.89 -0.10 0.00 0.48 0.00 0.00 55.95 57.62 1pjz s SER 51 Cb 0.10 0.85 -0.15 0.00 0.10 0.00 0.00 66.02 66.91 1pjz s SER 51 CO 0.00 -0.17 -0.18 -0.62 0.98 0.00 0.00 173.24 173.25 1pjz n GLU 52 N 3.43 0.62 -0.22 4.02 1.02 -1.26 -3.37 120.64 124.87 1pjz n GLU 52 Ca -0.17 0.28 -0.08 0.00 -0.02 0.00 0.00 57.16 57.17 1pjz n GLU 52 Cb 0.56 -1.55 0.03 0.00 -0.02 0.00 0.00 31.44 30.46 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 -0.58 0.80 -0.21 0.62 0.00 -1.97 -1.29 119.26 116.63 1pjz h ALA 53 Ca -0.60 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.05 1pjz h ALA 53 Cb 1.68 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1pjz h ALA 53 CO -0.27 0.46 -0.14 0.00 0.00 0.00 0.00 179.25 179.31 1pjz h ALA 54 N 1.07 1.37 0.27 0.00 0.00 -1.98 0.55 119.26 120.53 1pjz h ALA 54 Ca 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1pjz h ALA 54 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pjz h ALA 54 CO -0.01 0.43 -0.13 0.28 0.00 0.00 0.00 179.25 179.83 1pjz h VAL 55 N 0.33 0.77 -0.74 0.00 2.07 -1.41 0.43 116.25 117.70 1pjz h VAL 55 Ca 0.06 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1pjz h VAL 55 Cb 0.45 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1pjz h VAL 55 CO 0.03 0.07 0.44 -0.33 0.02 0.00 0.00 177.57 177.80 1pjz h GLU 56 N -0.54 1.01 -0.38 1.57 4.39 -1.02 -1.01 114.58 118.60 1pjz h GLU 56 Ca -0.04 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 1pjz h GLU 56 Cb 0.40 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1pjz h GLU 56 CO 0.06 0.72 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.52 1pjz h ARG 57 N 1.01 0.61 -0.32 2.33 2.43 -0.74 -0.14 114.38 119.56 1pjz h ARG 57 Ca 0.26 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1pjz h ARG 57 Cb -0.02 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1pjz h ARG 57 CO -0.05 0.65 0.02 1.88 -1.51 0.00 0.00 179.97 180.95 1pjz h TYR 58 N 0.58 0.59 -0.07 2.20 -1.99 0.66 0.27 116.97 119.21 1pjz h TYR 58 Ca 0.12 -0.10 -0.10 0.00 2.00 0.00 0.00 58.73 60.65 1pjz h TYR 58 Cb 0.39 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 1pjz h TYR 58 CO 0.02 0.66 -0.43 0.74 -0.00 0.00 0.00 178.16 179.14 1pjz h PHE 59 N 0.35 0.19 -0.01 4.88 0.04 -0.95 0.40 116.94 121.85 1pjz h PHE 59 Ca 0.09 -0.05 -0.24 0.00 2.80 0.00 0.00 57.97 60.57 1pjz h PHE 59 Cb 0.41 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.53 1pjz h PHE 59 CO 0.03 0.57 -0.97 0.00 -0.60 0.00 0.00 178.31 177.34 1pjz h THR 60 N 0.14 1.33 -0.20 -1.55 1.03 -0.81 0.43 112.91 113.27 1pjz h THR 60 Ca 0.01 -2.31 -0.12 0.00 -0.01 0.00 0.00 66.41 63.98 1pjz h THR 60 Cb 0.82 2.36 -0.00 0.00 -1.07 0.00 0.00 68.15 70.26 1pjz h THR 60 CO 0.06 0.70 -0.35 -0.33 -0.01 0.00 0.00 175.52 175.59 1pjz h GLU 61 N 0.33 0.60 -0.02 0.00 4.39 -0.30 -3.22 114.58 116.36 1pjz h GLU 61 Ca -0.10 -0.37 -0.23 0.00 0.34 0.00 0.00 59.36 59.00 1pjz h GLU 61 Cb 1.61 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 30.31 1pjz h GLU 61 CO 0.18 0.98 -0.93 0.00 -1.16 0.00 0.00 179.01 178.09 1pjz h ARG 62 N 0.28 0.52 0.00 2.33 -0.00 -0.97 -3.48 114.38 113.06 1pjz h ARG 62 Ca 0.01 -0.53 0.00 0.00 -0.50 0.00 0.00 59.98 58.96 1pjz h ARG 62 Cb 0.94 0.14 0.00 0.00 0.00 0.00 0.00 29.97 31.06 1pjz h ARG 62 CO 0.08 1.16 0.00 0.41 0.00 0.00 0.00 179.97 181.62 1pjz n GLY 63 N 0.92 0.70 0.32 0.04 0.00 0.15 -4.87 105.19 102.44 1pjz n GLY 63 Ca -0.08 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.03 -0.82 0.00 1.61 1.02 -0.85 -5.03 120.64 115.54 1pjz n GLU 64 Ca 0.00 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1pjz n GLU 64 Cb 0.39 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 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 -1.85 0.00 -0.78 3.49 6.02 -1.26 -5.13 117.38 117.87 1pjz n GLN 65 Ca -0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 1pjz n GLN 65 Cb 0.11 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.49 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 -1.41 -3.37 -1.09 -0.04 -1.26 -5.01 135.00 122.82 1pjz n PRO 66 Ca 0.00 -1.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.03 1pjz n PRO 66 Cb 0.00 -0.79 -0.09 0.00 -0.04 0.00 0.00 33.50 32.57 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 -2.30 3.20 -0.14 0.54 3.76 -0.23 -4.95 115.29 115.17 1pjz s HIS 67 Ca 0.39 -0.36 -0.05 0.00 -0.15 0.00 0.00 55.06 54.90 1pjz s HIS 67 Cb -0.02 -2.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.86 1pjz s HIS 67 CO 0.28 -0.62 0.02 0.42 -0.85 0.00 0.00 174.74 174.00 1pjz s ILE 68 N 2.00 4.41 0.10 0.60 -1.09 -1.26 -1.26 121.20 124.70 1pjz s ILE 68 Ca 0.10 -0.18 0.05 0.00 -2.23 0.00 0.00 60.65 58.39 1pjz s ILE 68 Cb -0.17 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 1pjz s ILE 68 CO 0.12 0.53 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.34 1pjz s THR 69 N -0.11 1.17 -0.47 2.92 2.01 0.09 -4.95 115.64 116.29 1pjz s THR 69 Ca 0.05 -1.58 -0.08 0.00 0.31 0.00 0.00 61.69 60.39 1pjz s THR 69 Cb -0.12 -1.36 0.12 0.00 0.01 0.00 0.00 72.50 71.15 1pjz s THR 69 CO 0.02 -0.40 0.33 -0.55 -0.69 0.00 0.00 174.62 173.32 1pjz s SER 70 N -2.26 5.60 -1.08 3.53 0.15 -1.26 -0.71 113.70 117.68 1pjz s SER 70 Ca 0.05 -2.00 -0.17 0.00 0.70 0.00 0.00 55.95 54.53 1pjz s SER 70 Cb -0.06 -1.97 0.14 0.00 -1.71 0.00 0.00 66.02 62.43 1pjz s SER 70 CO 0.02 -0.64 1.31 -1.10 1.20 0.00 0.00 173.24 174.03 1pjz s GLN 71 N 1.22 3.83 3.29 5.44 -1.52 0.17 -4.89 119.66 127.20 1pjz s GLN 71 Ca 0.07 -2.10 0.00 0.00 -1.95 0.00 0.00 55.36 51.38 1pjz s GLN 71 Cb -0.25 -5.04 0.00 0.00 -0.22 0.00 0.00 33.01 27.50 1pjz s GLN 71 CO -0.02 -1.82 0.00 0.41 -0.25 0.00 0.00 175.29 173.61 1pjz n GLY 72 N 4.96 0.32 1.51 3.09 0.00 -1.26 0.27 105.19 114.08 1pjz n GLY 72 Ca 0.31 0.67 -0.11 0.00 0.00 0.00 0.00 46.02 46.89 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 6.82 3.07 -3.81 1.61 -0.08 -1.26 -4.98 116.55 117.92 1pjz n ASP 73 Ca 0.00 -3.76 -0.13 0.00 -1.51 0.00 0.00 54.79 49.40 1pjz n ASP 73 Cb 0.00 -0.69 -0.07 0.00 2.34 0.00 0.00 41.12 42.70 1pjz n ASP 73 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1pjz s PHE 74 N -3.31 0.98 0.14 -0.67 0.08 0.14 -5.05 117.98 110.29 1pjz s PHE 74 Ca 0.49 -1.20 0.05 0.00 0.12 0.00 0.00 56.93 56.38 1pjz s PHE 74 Cb 0.43 -0.25 -0.04 0.00 -0.57 0.00 0.00 43.02 42.59 1pjz s PHE 74 CO 0.02 -0.89 -0.11 0.21 -0.10 0.00 0.00 175.22 174.35 1pjz s LYS 75 N -3.77 1.04 -0.18 0.44 2.20 -1.26 0.41 119.74 118.62 1pjz s LYS 75 Ca 0.32 -1.37 -0.05 0.00 -0.36 0.00 0.00 55.97 54.52 1pjz s LYS 75 Cb 0.02 -0.69 0.07 0.00 -1.51 0.00 0.00 37.83 35.73 1pjz s LYS 75 CO 0.15 0.10 0.14 0.54 -0.36 0.00 0.00 175.35 175.93 1pjz s VAL 76 N -2.94 -0.19 -0.41 4.02 0.11 0.11 -1.04 120.40 120.06 1pjz s VAL 76 Ca 0.14 -0.14 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 1pjz s VAL 76 Cb 0.00 -0.61 0.10 0.00 -1.53 0.00 0.00 36.38 34.34 1pjz s VAL 76 CO 0.01 -0.25 0.22 -0.47 -3.33 0.00 0.00 175.10 171.29 1pjz s TYR 77 N 2.22 3.49 0.01 1.54 5.04 0.51 -0.73 117.35 129.42 1pjz s TYR 77 Ca 0.04 -2.12 -0.01 0.00 -2.44 0.00 0.00 57.07 52.54 1pjz s TYR 77 Cb -0.16 -3.13 -0.04 0.00 0.35 0.00 0.00 41.96 38.98 1pjz s TYR 77 CO -0.10 -0.94 0.14 0.00 -1.34 0.00 0.00 175.55 173.30 1pjz s ALA 78 N 1.24 3.79 0.21 3.97 0.00 -0.39 -1.21 121.76 129.36 1pjz s ALA 78 Ca 0.06 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.27 1pjz s ALA 78 Cb -0.23 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1pjz s ALA 78 CO -0.02 0.74 -0.12 0.00 0.00 0.00 0.00 175.76 176.35 1pjz s ALA 79 N -1.31 2.87 -0.96 0.00 0.00 -1.23 -1.06 121.76 120.07 1pjz s ALA 79 Ca 0.27 -1.58 0.22 0.00 0.00 0.00 0.00 51.96 50.87 1pjz s ALA 79 Cb -0.12 -0.60 0.93 0.00 0.00 0.00 0.00 23.12 23.32 1pjz s ALA 79 CO 0.19 0.41 1.70 -0.35 0.00 0.00 0.00 175.76 177.71 1pjz n PRO 80 N -0.12 0.02 -0.09 0.00 -0.04 -1.26 -3.43 135.00 130.08 1pjz n PRO 80 Ca -0.10 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 1pjz n PRO 80 Cb 0.57 -1.54 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1pjz n PRO 80 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1pjz h GLY 81 N 3.71 0.00 -1.51 0.55 0.00 -2.01 -3.49 103.07 100.33 1pjz h GLY 81 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1pjz h GLY 81 CO 0.00 0.00 -0.58 -1.50 0.00 0.00 0.00 176.54 174.46 1pjz s ILE 82 N -2.24 1.52 -0.78 2.60 -1.16 -1.22 -5.04 121.20 114.88 1pjz s ILE 82 Ca -0.22 -2.00 -0.00 0.00 -0.51 0.00 0.00 60.65 57.92 1pjz s ILE 82 Cb 0.03 -2.75 0.36 0.00 0.61 0.00 0.00 42.46 40.71 1pjz s ILE 82 CO 0.51 0.00 1.79 1.21 -2.81 0.00 0.00 174.94 175.64 1pjz n GLU 83 N -0.94 3.16 -4.34 3.50 2.13 -0.03 -3.48 120.64 120.65 1pjz n GLU 83 Ca -0.07 -3.87 -0.34 0.00 0.66 0.00 0.00 57.16 53.55 1pjz n GLU 83 Cb 0.67 -2.28 -0.12 0.00 0.27 0.00 0.00 31.44 29.97 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1pjz s ILE 84 N -5.08 3.82 -0.34 6.31 -1.09 -1.26 -1.30 121.20 122.26 1pjz s ILE 84 Ca 0.50 -0.38 -0.03 0.00 -2.23 0.00 0.00 60.65 58.52 1pjz s ILE 84 Cb 0.40 -2.69 0.07 0.00 -1.58 0.00 0.00 42.46 38.67 1pjz s ILE 84 CO -0.34 0.48 0.08 -1.66 -1.23 0.00 0.00 174.94 172.27 1pjz s TRP 85 N 0.53 3.37 0.39 3.97 1.48 -0.40 -3.48 118.94 124.81 1pjz s TRP 85 Ca -0.03 -1.98 -0.25 0.00 -1.06 0.00 0.00 56.10 52.78 1pjz s TRP 85 Cb -0.14 -2.49 -0.09 0.00 -1.16 0.00 0.00 33.47 29.59 1pjz s TRP 85 CO 0.03 -0.85 1.07 0.00 -4.06 0.00 0.00 176.95 173.14 1pjz n GLY 87 N 0.48 1.31 3.30 0.00 0.00 0.18 -0.36 105.19 110.09 1pjz n GLY 87 Ca 0.04 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 1pjz n GLY 87 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pjz s ASP 88 N -4.00 1.79 -0.54 1.61 -4.77 -0.21 -0.32 116.67 110.23 1pjz s ASP 88 Ca 0.00 -1.14 0.02 0.00 -3.30 0.00 0.00 52.55 48.13 1pjz s ASP 88 Cb 0.00 0.01 0.14 0.00 -1.09 0.00 0.00 42.92 41.97 1pjz s ASP 88 CO 0.00 -0.45 0.30 0.12 0.70 0.00 0.00 175.17 175.84 1pjz s PHE 89 N -3.40 3.30 0.00 2.11 5.36 -1.26 -4.58 117.98 119.51 1pjz s PHE 89 Ca 0.24 -3.01 0.00 0.00 -0.96 0.00 0.00 56.93 53.20 1pjz s PHE 89 Cb 0.05 -2.95 0.00 0.00 -0.34 0.00 0.00 43.02 39.77 1pjz s PHE 89 CO 0.06 -0.79 0.00 0.34 -1.46 0.00 0.00 175.22 173.36 1pjz n PHE 90 N 3.33 0.00 0.00 10.12 7.35 -1.26 -5.01 117.46 131.99 1pjz n PHE 90 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1pjz n PHE 90 Cb 0.35 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.18 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1pjz n ALA 91 N 0.00 0.00 0.00 3.13 0.00 -1.26 -4.99 120.51 117.39 1pjz n ALA 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pjz n ALA 91 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.02 -2.08 0.00 -0.00 -1.26 -5.10 117.00 108.58 1pjz n LEU 92 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1pjz n LEU 92 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1pjz n LEU 92 CO 0.00 0.00 0.04 0.41 -0.00 0.00 0.00 177.39 177.85 1pjz n THR 93 N -0.79 -5.68 0.27 1.47 -1.04 -1.26 -4.57 114.28 102.69 1pjz n THR 93 Ca 0.00 0.30 0.14 0.00 -2.04 0.00 0.00 64.05 62.45 1pjz n THR 93 Cb 0.08 -5.32 0.73 0.00 -1.82 0.00 0.00 70.33 63.99 1pjz n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pjz h ALA 94 N 0.73 1.21 0.03 2.41 0.00 -1.94 0.15 119.26 121.86 1pjz h ALA 94 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1pjz h ALA 94 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1pjz h ALA 94 CO 0.09 -0.21 -0.30 -0.09 0.00 0.00 0.00 179.25 178.74 1pjz h ARG 95 N 0.00 0.15 0.13 0.00 1.12 0.52 0.43 114.38 116.73 1pjz h ARG 95 Ca 0.00 -0.20 -0.01 0.00 -1.11 0.00 0.00 59.98 58.66 1pjz h ARG 95 Cb 0.48 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 1pjz h ARG 95 CO 0.00 1.01 -0.06 0.22 -3.11 0.00 0.00 179.97 178.03 1pjz h ASP 96 N -0.62 -0.15 -0.02 -3.80 3.58 -0.98 -0.69 116.42 113.73 1pjz h ASP 96 Ca -0.05 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1pjz h ASP 96 Cb 1.14 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.23 1pjz h ASP 96 CO 0.06 -0.09 -0.01 0.16 -2.88 0.00 0.00 179.24 176.47 1pjz h ILE 97 N -0.19 1.34 0.00 2.25 3.07 -1.42 -3.33 117.51 119.23 1pjz h ILE 97 Ca -0.02 -1.03 0.00 0.00 1.55 0.00 0.00 64.86 65.36 1pjz h ILE 97 Cb 0.15 2.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.70 1pjz h ILE 97 CO 0.03 0.27 0.00 0.61 -1.05 0.00 0.00 178.15 178.01 1pjz n GLY 98 N 0.07 -3.19 5.39 0.16 0.00 0.15 -4.54 105.19 103.23 1pjz n GLY 98 Ca -0.08 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.00 0.00 -3.93 1.61 -0.00 -0.28 -4.12 115.22 106.50 1pjz n HIS 99 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 1pjz n HIS 99 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.84 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1pjz n ALA 101 N 3.53 0.00 -3.21 0.00 0.00 -0.08 -1.73 120.51 119.01 1pjz n ALA 101 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.28 1pjz n ALA 101 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.71 -3.61 0.00 0.00 -0.66 -0.94 120.51 113.99 1pjz n ALA 102 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1pjz n ALA 102 Cb 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 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 -4.07 -0.52 -0.26 0.00 -0.71 0.14 -1.21 117.98 111.36 1pjz s PHE 103 Ca 0.06 1.15 -0.07 0.00 -1.04 0.00 0.00 56.93 57.03 1pjz s PHE 103 Cb -0.00 0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 42.16 1pjz s PHE 103 CO 0.01 -0.32 0.07 -0.47 -1.34 0.00 0.00 175.22 173.17 1pjz s TYR 104 N -0.20 3.09 -0.08 3.49 5.04 0.11 -0.57 117.35 128.22 1pjz s TYR 104 Ca 0.00 -0.53 -0.02 0.00 -2.44 0.00 0.00 57.07 54.07 1pjz s TYR 104 Cb -0.03 -2.24 -0.03 0.00 0.35 0.00 0.00 41.96 40.00 1pjz s TYR 104 CO -0.02 -0.40 0.02 -0.51 -1.34 0.00 0.00 175.55 173.30 1pjz s ASP 105 N 1.59 5.39 0.42 4.32 1.11 0.78 -3.71 116.67 126.58 1pjz s ASP 105 Ca 0.06 0.18 0.07 0.00 0.18 0.00 0.00 52.55 53.04 1pjz s ASP 105 Cb -0.15 -1.55 -0.03 0.00 1.07 0.00 0.00 42.92 42.26 1pjz s ASP 105 CO 0.03 0.38 0.29 -0.60 1.18 0.00 0.00 175.17 176.45 1pjz s ARG 106 N -0.95 2.38 -0.45 8.23 3.00 -1.26 -0.17 118.95 129.74 1pjz s ARG 106 Ca 0.14 -1.70 -0.26 0.00 -1.00 0.00 0.00 55.73 52.91 1pjz s ARG 106 Cb -0.11 -2.19 -0.06 0.00 0.00 0.00 0.00 34.95 32.58 1pjz s ARG 106 CO 0.03 -0.18 2.33 0.00 0.00 0.00 0.00 175.30 177.48 1pjz s ALA 107 N -2.54 1.88 0.00 6.12 0.00 0.23 -4.51 121.76 122.93 1pjz s ALA 107 Ca 0.44 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1pjz s ALA 107 Cb -0.00 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.83 1pjz s ALA 107 CO 0.25 -4.11 0.00 0.00 0.00 0.00 0.00 175.76 171.90 1pjz n ALA 108 N 14.88 2.81 0.28 0.00 0.00 -1.26 -4.78 120.51 132.44 1pjz n ALA 108 Ca 0.34 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.94 1pjz n ALA 108 Cb 0.53 0.20 0.77 0.00 0.00 0.00 0.00 19.45 20.94 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 -1.92 -0.96 114.93 112.05 1pjz h MET 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1pjz h MET 109 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.00 1pjz h MET 109 CO 0.00 0.08 0.00 -0.84 -0.00 0.00 0.00 176.91 176.15 1pjz h ILE 110 N 0.00 0.00 -0.01 -0.10 -2.65 -1.92 -1.17 117.51 111.66 1pjz h ILE 110 Ca -0.00 -0.43 0.00 0.00 1.03 0.00 0.00 64.86 65.45 1pjz h ILE 110 Cb 0.38 1.35 0.00 0.00 -2.05 0.00 0.00 36.82 36.50 1pjz h ILE 110 CO 0.01 0.00 -0.46 0.00 0.03 0.00 0.00 178.15 177.73 1pjz n ALA 111 N -1.98 3.51 -2.48 0.16 0.00 -0.37 0.20 120.51 119.55 1pjz n ALA 111 Ca 0.01 -0.45 -0.23 0.00 0.00 0.00 0.00 53.44 52.77 1pjz n ALA 111 Cb 0.29 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.70 3.29 0.00 0.00 1.02 -0.44 -4.94 118.68 114.91 1pjz s LEU 112 Ca 0.17 -0.77 -0.16 0.00 0.02 0.00 0.00 54.13 53.40 1pjz s LEU 112 Cb 0.18 -1.79 0.22 0.00 0.02 0.00 0.00 46.19 44.83 1pjz s LEU 112 CO 0.62 -0.36 1.02 -0.81 0.02 0.00 0.00 176.35 176.84 1pjz n PRO 113 N -1.22 -1.94 0.16 1.29 -0.04 -1.26 -4.69 135.00 127.30 1pjz n PRO 113 Ca -0.02 -1.59 -0.06 0.00 -0.04 0.00 0.00 63.50 61.78 1pjz n PRO 113 Cb 0.61 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 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 -2.22 -0.93 -0.95 0.55 0.00 -1.97 0.91 119.26 114.65 1pjz h ALA 114 Ca -0.35 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.55 1pjz h ALA 114 Cb 1.02 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 1pjz h ALA 114 CO 0.24 -0.90 -0.56 -0.25 0.00 0.00 0.00 179.25 177.77 1pjz n ASP 115 N -3.29 -1.01 -0.20 0.00 8.00 -1.26 0.38 116.55 119.16 1pjz n ASP 115 Ca -0.05 1.74 -0.04 0.00 0.71 0.00 0.00 54.79 57.15 1pjz n ASP 115 Cb 0.16 -0.24 0.07 0.00 -0.02 0.00 0.00 41.12 41.09 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1pjz h MET 116 N 0.00 0.65 -0.91 -1.24 4.05 -1.94 -0.45 114.93 115.08 1pjz h MET 116 Ca 0.15 -0.04 0.15 0.00 -0.28 0.00 0.00 59.70 59.69 1pjz h MET 116 Cb 0.39 -0.15 -0.10 0.00 -0.80 0.00 0.00 31.60 30.95 1pjz h MET 116 CO -0.90 0.43 0.51 0.00 0.23 0.00 0.00 176.91 177.18 1pjz h ARG 117 N 0.67 0.69 -0.20 0.39 3.08 0.58 0.54 114.38 120.12 1pjz h ARG 117 Ca 0.25 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 60.09 1pjz h ARG 117 Cb 0.09 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1pjz h ARG 117 CO -0.13 0.46 -0.57 0.93 -1.07 0.00 0.00 179.97 179.59 1pjz h GLU 118 N 0.71 0.62 0.00 0.04 5.08 0.74 -1.47 114.58 120.31 1pjz h GLU 118 Ca 0.50 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1pjz h GLU 118 Cb 0.69 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1pjz h GLU 118 CO -0.35 1.02 -0.16 0.00 -1.00 0.00 0.00 179.01 178.51 1pjz h ARG 119 N 0.47 0.00 0.00 2.33 2.47 0.77 -0.08 114.38 120.34 1pjz h ARG 119 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1pjz h ARG 119 Cb 1.13 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1pjz h ARG 119 CO 0.11 0.16 -0.10 -0.92 0.56 0.00 0.00 179.97 179.78 1pjz h TYR 120 N 0.00 0.00 -0.25 3.04 5.03 0.22 -0.20 116.97 124.81 1pjz h TYR 120 Ca -0.00 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1pjz h TYR 120 Cb 0.62 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 1pjz h TYR 120 CO 0.00 0.68 0.04 -0.39 -1.32 0.00 0.00 178.16 177.17 1pjz h VAL 121 N -1.00 1.13 0.00 1.81 -1.51 -1.27 0.15 116.25 115.57 1pjz h VAL 121 Ca -0.02 -0.49 -0.04 0.00 -1.23 0.00 0.00 66.70 64.92 1pjz h VAL 121 Cb 0.69 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1pjz h VAL 121 CO -0.01 0.17 -0.17 0.06 -1.23 0.00 0.00 177.57 176.38 1pjz h GLN 122 N 0.36 0.12 -0.66 5.19 3.07 -1.11 -1.44 115.11 120.63 1pjz h GLN 122 Ca 0.09 -0.13 0.05 0.00 0.09 0.00 0.00 58.65 58.75 1pjz h GLN 122 Cb 0.17 0.04 -0.04 0.00 0.08 0.00 0.00 27.48 27.73 1pjz h GLN 122 CO -0.00 0.89 0.44 0.45 0.09 0.00 0.00 178.83 180.69 1pjz h HIS 123 N -0.61 0.72 0.30 0.06 3.86 -0.70 0.15 115.15 118.94 1pjz h HIS 123 Ca -0.02 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1pjz h HIS 123 Cb 0.95 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.19 1pjz h HIS 123 CO 0.19 0.40 -0.15 1.25 0.86 0.00 0.00 177.93 180.48 1pjz h LEU 124 N 0.73 -0.35 -1.59 2.43 7.12 -0.74 -1.27 115.31 121.64 1pjz h LEU 124 Ca 0.27 0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.36 1pjz h LEU 124 Cb 0.17 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 1pjz h LEU 124 CO -0.08 -0.11 0.56 1.05 -0.13 0.00 0.00 178.44 179.73 1pjz h GLU 125 N -0.69 0.00 0.11 1.25 -0.00 -1.07 1.94 114.58 116.12 1pjz h GLU 125 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 1pjz h GLU 125 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.07 1pjz h GLU 125 CO 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 179.01 179.02 1pjz h ALA 126 N 1.10 -0.15 -0.02 1.06 0.00 -0.58 -3.23 119.26 117.44 1pjz h ALA 126 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pjz h ALA 126 Cb 1.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1pjz h ALA 126 CO -0.00 -0.17 0.00 1.47 0.00 0.00 0.00 179.25 180.55 1pjz n LEU 127 N -4.85 0.25 -4.67 0.00 -0.00 0.36 -4.86 117.00 103.23 1pjz n LEU 127 Ca -0.05 -0.10 -0.29 0.00 -0.00 0.00 0.00 56.01 55.56 1pjz n LEU 127 Cb 0.20 -0.01 0.21 0.00 -0.00 0.00 0.00 43.42 43.82 1pjz n LEU 127 CO 0.17 0.05 0.66 -0.04 -0.00 0.00 0.00 177.39 178.22 1pjz s MET 128 N -1.98 -0.33 0.00 1.47 -1.94 0.63 0.33 119.30 117.48 1pjz s MET 128 Ca 0.33 0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.43 1pjz s MET 128 Cb 0.16 -1.68 0.00 0.00 2.01 0.00 0.00 34.83 35.31 1pjz s MET 128 CO 0.26 -3.16 0.00 -0.35 -0.01 0.00 0.00 175.02 171.76 1pjz n PRO 129 N -4.40 1.65 -0.01 2.03 -0.04 -1.26 -4.16 135.00 128.82 1pjz n PRO 129 Ca 0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1pjz n PRO 129 Cb 0.59 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.03 1pjz n PRO 129 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1pjz n GLN 130 N 0.00 1.34 -3.45 0.54 1.13 -0.93 -4.88 117.38 111.13 1pjz n GLN 130 Ca 0.00 0.01 -0.28 0.00 -1.94 0.00 0.00 57.00 54.79 1pjz n GLN 130 Cb 0.00 -1.05 -0.11 0.00 0.11 0.00 0.00 30.24 29.18 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pjz s ALA 131 N -2.05 1.15 -0.09 -1.58 0.00 -0.71 -3.92 121.76 114.56 1pjz s ALA 131 Ca -0.03 -2.09 -0.16 0.00 0.00 0.00 0.00 51.96 49.68 1pjz s ALA 131 Cb 0.01 -1.62 0.04 0.00 0.00 0.00 0.00 23.12 21.55 1pjz s ALA 131 CO 0.07 -2.06 0.40 0.00 0.00 0.00 0.00 175.76 174.16 1pjz s SER 133 N -0.56 6.52 -0.06 0.00 0.15 -0.12 0.51 113.70 120.14 1pjz s SER 133 Ca -0.07 0.62 -0.04 0.00 0.70 0.00 0.00 55.95 57.17 1pjz s SER 133 Cb -0.04 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 1pjz s SER 133 CO 0.03 -0.19 0.13 -0.83 1.20 0.00 0.00 173.24 173.58 1pjz s GLY 134 N 1.23 2.12 -0.31 9.45 0.00 0.16 0.25 107.32 120.21 1pjz s GLY 134 Ca 0.23 -0.73 -0.00 0.00 0.00 0.00 0.00 44.72 44.22 1pjz s GLY 134 CO 0.09 -0.55 0.09 -2.27 0.00 0.00 0.00 173.10 170.47 1pjz s LEU 135 N -1.44 2.63 0.06 0.66 0.20 0.27 0.10 118.68 121.16 1pjz s LEU 135 Ca 0.20 -1.72 -0.23 0.00 0.69 0.00 0.00 54.13 53.08 1pjz s LEU 135 Cb -0.12 -0.98 -0.06 0.00 -0.43 0.00 0.00 46.19 44.60 1pjz s LEU 135 CO 0.10 -0.41 0.70 -0.22 -0.29 0.00 0.00 176.35 176.23 1pjz s LEU 136 N 1.51 4.48 -0.24 -0.68 0.20 -0.08 -0.16 118.68 123.70 1pjz s LEU 136 Ca 0.10 1.38 0.01 0.00 0.69 0.00 0.00 54.13 56.31 1pjz s LEU 136 Cb -0.17 -3.11 0.06 0.00 -0.43 0.00 0.00 46.19 42.53 1pjz s LEU 136 CO -0.23 0.11 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.24 1pjz s ILE 137 N -0.43 1.73 0.54 6.68 -1.09 0.77 -0.92 121.20 128.48 1pjz s ILE 137 Ca 0.35 -1.34 0.05 0.00 -2.23 0.00 0.00 60.65 57.48 1pjz s ILE 137 Cb -0.20 -1.94 0.03 0.00 -1.58 0.00 0.00 42.46 38.77 1pjz s ILE 137 CO 0.21 -0.07 0.38 0.42 -1.23 0.00 0.00 174.94 174.65 1pjz s THR 138 N 1.31 1.63 0.18 2.92 -4.23 0.17 0.75 115.64 118.36 1pjz s THR 138 Ca -0.07 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1pjz s THR 138 Cb -0.19 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 1pjz s THR 138 CO -0.06 0.00 0.10 -1.48 -0.54 0.00 0.00 174.62 172.64 1pjz s LEU 139 N -4.25 1.39 0.00 4.79 -0.00 -1.26 -0.08 118.68 119.27 1pjz s LEU 139 Ca 0.32 -1.33 0.00 0.00 -0.00 0.00 0.00 54.13 53.12 1pjz s LEU 139 Cb -0.02 0.32 0.00 0.00 -0.00 0.00 0.00 46.19 46.49 1pjz s LEU 139 CO 0.20 -0.79 0.00 1.21 -0.00 0.00 0.00 176.35 176.97 1pjz n GLU 140 N -0.23 0.00 0.00 1.48 2.13 -0.03 -3.89 120.64 120.09 1pjz n GLU 140 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1pjz n GLU 140 Cb 0.65 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.36 1pjz n GLU 140 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1pjz n TYR 141 N -0.45 0.00 -1.03 4.31 4.19 -1.26 -4.41 117.16 118.51 1pjz n TYR 141 Ca 0.00 0.00 -0.35 0.00 3.31 0.00 0.00 57.90 60.86 1pjz n TYR 141 Cb 0.00 -0.15 -0.02 0.00 0.49 0.00 0.00 39.34 39.67 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 1pjz n ASP 142 N -1.87 -1.33 0.00 2.98 5.75 -1.26 -4.56 116.55 116.26 1pjz n ASP 142 Ca 0.00 0.77 0.00 0.00 -0.01 0.00 0.00 54.79 55.55 1pjz n ASP 142 Cb 0.00 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.39 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 0.83 0.00 -1.46 0.11 -0.00 -1.26 -4.57 117.38 111.03 1pjz n GLN 143 Ca 0.12 0.00 -0.21 0.00 -0.00 0.00 0.00 57.00 56.91 1pjz n GLN 143 Cb 0.22 0.00 0.09 0.00 -0.00 0.00 0.00 30.24 30.56 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 5.21 0.00 2.61 0.00 -1.26 -4.54 120.51 122.53 1pjz n ALA 144 Ca 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 53.44 49.94 1pjz n ALA 144 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.90 0.00 -4.66 0.00 -0.00 -1.26 -5.11 117.00 105.07 1pjz n LEU 145 Ca 0.47 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 56.05 1pjz n LEU 145 Cb 0.92 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.32 1pjz n LEU 145 CO 0.45 0.00 1.06 -0.22 -0.00 0.00 0.00 177.39 178.68 1pjz s LEU 146 N 0.00 4.12 -0.61 1.47 2.96 -1.26 -4.83 118.68 120.53 1pjz s LEU 146 Ca 0.00 1.56 -0.40 0.00 -0.22 0.00 0.00 54.13 55.07 1pjz s LEU 146 Cb 0.00 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.96 1pjz s LEU 146 CO 0.00 -0.79 2.23 -0.62 -1.32 0.00 0.00 176.35 175.85 1pjz n GLU 147 N 6.66 0.00 -0.04 1.98 -0.58 -1.26 -4.20 120.64 123.19 1pjz n GLU 147 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1pjz n GLU 147 Cb 0.45 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1pjz n GLU 147 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pjz n GLY 148 N 7.12 -1.10 3.60 0.62 0.00 -1.26 -4.92 105.19 109.26 1pjz n GLY 148 Ca 0.57 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.23 3.57 0.48 1.61 0.04 -1.26 -4.77 135.00 130.44 1pjz s PRO 149 Ca 0.00 0.94 -0.20 0.00 0.04 0.00 0.00 61.00 61.77 1pjz s PRO 149 Cb 0.00 -4.02 -0.09 0.00 0.04 0.00 0.00 34.50 30.43 1pjz s PRO 149 CO 0.00 -1.57 1.04 -1.25 0.04 0.00 0.00 177.00 175.26 1pjz s PRO 150 N 4.94 3.81 -0.29 0.56 0.04 -1.26 -4.56 135.00 138.23 1pjz s PRO 150 Ca 0.61 1.36 0.12 0.00 0.04 0.00 0.00 61.00 63.13 1pjz s PRO 150 Cb -0.14 -2.10 0.74 0.00 0.04 0.00 0.00 34.50 33.04 1pjz s PRO 150 CO 0.33 -0.42 1.75 0.34 0.04 0.00 0.00 177.00 179.03 1pjz n PHE 151 N -0.95 2.17 -3.46 0.56 -0.00 0.53 -4.93 117.46 111.38 1pjz n PHE 151 Ca 0.09 -1.07 -0.16 0.00 -0.00 0.00 0.00 57.45 56.30 1pjz n PHE 151 Cb 0.52 -0.60 -0.04 0.00 -0.00 0.00 0.00 39.48 39.36 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1pjz n SER 152 N -0.04 0.21 -3.49 -2.13 3.41 -1.25 -4.50 113.62 105.84 1pjz n SER 152 Ca 0.36 -0.64 -0.49 0.00 -0.26 0.00 0.00 58.87 57.84 1pjz n SER 152 Cb 1.28 -0.79 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 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 -2.82 0.00 -2.40 -3.33 3.14 -1.26 -4.77 118.33 106.88 1pjz n VAL 153 Ca -0.15 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.80 1pjz n VAL 153 Cb 0.34 -0.25 -0.02 0.00 -1.06 0.00 0.00 33.84 32.85 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 1.53 4.18 0.24 1.45 0.04 -1.26 -4.90 135.00 136.28 1pjz s PRO 154 Ca 0.75 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 63.38 1pjz s PRO 154 Cb -1.07 -3.79 0.47 0.00 0.04 0.00 0.00 34.50 30.16 1pjz s PRO 154 CO 0.55 -0.77 1.30 1.04 0.04 0.00 0.00 177.00 179.16 1pjz n GLN 155 N 6.74 -0.07 -0.32 4.56 3.00 -1.26 0.27 117.38 130.30 1pjz n GLN 155 Ca 0.14 1.28 0.15 0.00 -0.01 0.00 0.00 57.00 58.57 1pjz n GLN 155 Cb 0.45 -1.96 0.34 0.00 0.00 0.00 0.00 30.24 29.07 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 0.45 -0.41 5.09 1.03 -1.98 0.70 112.91 117.79 1pjz h THR 156 Ca 0.44 -0.14 0.01 0.00 -0.01 0.00 0.00 66.41 66.71 1pjz h THR 156 Cb 0.76 0.01 -0.02 0.00 -1.07 0.00 0.00 68.15 67.83 1pjz h THR 156 CO -0.83 0.07 0.26 -0.25 -0.01 0.00 0.00 175.52 174.76 1pjz h TRP 157 N 0.40 0.50 -0.62 0.00 7.01 0.35 0.55 115.95 124.14 1pjz h TRP 157 Ca 0.60 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.68 1pjz h TRP 157 Cb 1.17 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 28.00 1pjz h TRP 157 CO -0.11 0.31 0.29 -0.07 -2.79 0.00 0.00 178.44 176.07 1pjz h LEU 158 N 0.54 0.38 -0.73 0.65 4.07 0.67 0.62 115.31 121.50 1pjz h LEU 158 Ca 0.15 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1pjz h LEU 158 Cb -0.05 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1pjz h LEU 158 CO -0.04 0.24 0.00 -0.74 -1.08 0.00 0.00 178.44 176.82 1pjz h HIS 159 N 0.53 0.00 0.20 1.13 2.76 -0.13 3.04 115.15 122.67 1pjz h HIS 159 Ca 0.29 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 58.14 1pjz h HIS 159 Cb 0.27 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.25 1pjz h HIS 159 CO -0.12 0.00 -1.51 0.07 -1.30 0.00 0.00 177.93 175.07 1pjz h ARG 160 N 0.00 0.41 0.00 5.26 0.11 0.44 -3.33 114.38 117.27 1pjz h ARG 160 Ca 0.00 -0.71 -0.04 0.00 0.10 0.00 0.00 59.98 59.33 1pjz h ARG 160 Cb 0.58 0.26 -0.01 0.00 1.11 0.00 0.00 29.97 31.91 1pjz h ARG 160 CO 0.00 1.32 -0.66 1.55 0.10 0.00 0.00 179.97 182.28 1pjz n VAL 161 N -3.61 1.04 0.00 0.08 3.14 0.17 -4.56 118.33 114.60 1pjz n VAL 161 Ca -0.17 0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1pjz n VAL 161 Cb 1.08 -1.75 0.00 0.00 -1.06 0.00 0.00 33.84 32.11 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 -3.65 0.00 -3.60 1.45 2.81 1.00 -4.12 117.12 111.01 1pjz n MET 162 Ca -0.08 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.41 1pjz n MET 162 Cb 0.30 -1.19 -0.09 0.00 -0.71 0.00 0.00 33.22 31.53 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 -1.83 5.61 0.00 7.83 0.15 -0.44 -4.38 113.70 120.64 1pjz s SER 163 Ca 0.00 -1.94 0.00 0.00 0.70 0.00 0.00 55.95 54.71 1pjz s SER 163 Cb 0.00 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1pjz s SER 163 CO 0.00 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1pjz n GLY 164 N 4.84 0.00 0.00 9.45 0.00 -1.26 -4.89 105.19 113.33 1pjz n GLY 164 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1pjz n GLY 164 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pjz n ASN 165 N 0.00 0.00 -3.70 1.61 0.23 -1.26 -5.11 115.26 107.03 1pjz n ASN 165 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.91 1pjz n ASN 165 Cb 0.00 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.56 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 -0.93 0.00 0.00 177.26 174.67 1pjz s TRP 166 N 0.00 -0.30 -0.92 -2.53 -2.14 -1.26 -0.88 118.94 110.91 1pjz s TRP 166 Ca 0.00 0.76 -0.24 0.00 2.66 0.00 0.00 56.10 59.28 1pjz s TRP 166 Cb 0.00 -0.06 0.01 0.00 -3.10 0.00 0.00 33.47 30.32 1pjz s TRP 166 CO 0.00 -0.27 1.64 -1.21 -2.66 0.00 0.00 176.95 174.45 1pjz s GLU 167 N 1.80 3.11 0.05 3.25 2.02 -0.27 -4.53 118.70 124.13 1pjz s GLU 167 Ca -0.04 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 54.03 1pjz s GLU 167 Cb -0.11 -5.08 -0.06 0.00 0.10 0.00 0.00 34.13 28.98 1pjz s GLU 167 CO -0.08 -2.66 1.33 0.14 0.02 0.00 0.00 175.26 174.01 1pjz s VAL 168 N 7.17 3.71 -0.16 2.63 -7.23 -1.26 -0.84 120.40 124.41 1pjz s VAL 168 Ca 0.55 1.18 0.01 0.00 -1.81 0.00 0.00 61.98 61.91 1pjz s VAL 168 Cb -0.04 -3.76 0.02 0.00 0.56 0.00 0.00 36.38 33.16 1pjz s VAL 168 CO -0.02 0.05 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.75 1pjz s THR 169 N 1.60 1.91 0.46 5.32 2.01 0.14 -4.87 115.64 122.22 1pjz s THR 169 Ca 0.62 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 61.52 1pjz s THR 169 Cb -0.32 -1.74 -0.08 0.00 0.01 0.00 0.00 72.50 70.37 1pjz s THR 169 CO 0.28 0.52 1.26 0.29 -0.69 0.00 0.00 174.62 176.28 1pjz n LYS 170 N 4.56 1.80 -3.62 4.92 5.02 -1.26 0.39 118.16 129.97 1pjz n LYS 170 Ca -0.20 0.65 -0.01 0.00 -2.02 0.00 0.00 58.31 56.73 1pjz n LYS 170 Cb 0.50 -2.40 -0.01 0.00 -0.02 0.00 0.00 35.03 33.11 1pjz n LYS 170 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pjz s VAL 171 N -1.24 0.00 0.00 -0.18 0.11 0.80 -4.77 120.40 115.12 1pjz s VAL 171 Ca 0.64 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 1pjz s VAL 171 Cb -0.48 -1.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 1pjz s VAL 171 CO 0.56 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.94 1pjz n GLY 172 N -0.35 -1.31 0.00 6.54 0.00 -1.26 0.38 105.19 109.19 1pjz n GLY 172 Ca -0.05 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.58 3.46 -0.02 0.00 -0.29 -4.86 105.19 102.90 1pjz n GLY 173 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1pjz n GLY 173 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pjz s GLN 174 N -0.44 1.80 0.00 1.61 -2.07 -1.26 0.21 119.66 119.51 1pjz s GLN 174 Ca 0.00 -2.07 0.00 0.00 -1.82 0.00 0.00 55.36 51.47 1pjz s GLN 174 Cb 0.00 -0.53 0.00 0.00 -1.09 0.00 0.00 33.01 31.39 1pjz s GLN 174 CO 0.00 -0.42 0.00 -0.25 -1.32 0.00 0.00 175.29 173.30 1pjz n ASP 175 N -1.11 -0.19 -3.72 12.60 8.00 -1.24 -4.87 116.55 126.02 1pjz n ASP 175 Ca -0.04 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.16 1pjz n ASP 175 Cb 0.65 -0.24 -0.08 0.00 -0.02 0.00 0.00 41.12 41.43 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 -2.05 2.58 0.01 -3.53 5.66 -1.25 -4.81 114.28 110.89 1pjz n THR 176 Ca 0.00 -5.19 -0.20 0.00 -3.05 0.00 0.00 64.05 55.62 1pjz n THR 176 Cb 0.00 -2.17 -0.14 0.00 -1.55 0.00 0.00 70.33 66.47 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 4.92 0.38 -2.41 1.09 7.12 -1.92 -3.32 115.31 121.17 1pjz h LEU 177 Ca 0.18 -0.82 0.03 0.00 0.13 0.00 0.00 57.88 57.40 1pjz h LEU 177 Cb 0.70 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1pjz h LEU 177 CO 0.86 1.73 0.14 0.45 -0.13 0.00 0.00 178.44 181.49 1pjz h HIS 178 N 0.07 0.00 0.48 1.25 3.86 -1.93 -2.40 115.15 116.48 1pjz h HIS 178 Ca -0.39 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.80 1pjz h HIS 178 Cb 2.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.49 1pjz h HIS 178 CO 0.07 0.00 -0.44 0.77 0.86 0.00 0.00 177.93 179.19 1pjz h SER 179 N 0.00 -1.20 -4.06 2.45 0.02 -1.88 -3.42 113.55 105.46 1pjz h SER 179 Ca 0.04 0.09 -0.47 0.00 -0.84 0.00 0.00 61.79 60.62 1pjz h SER 179 Cb 0.32 0.39 0.02 0.00 0.14 0.00 0.00 62.40 63.27 1pjz h SER 179 CO -0.00 -0.60 0.38 -0.94 -1.14 0.00 0.00 176.83 174.53 1pjz s SER 180 N -4.04 6.50 -0.18 3.07 1.04 -0.90 -4.35 113.70 114.84 1pjz s SER 180 Ca -0.16 1.89 -0.24 0.00 0.48 0.00 0.00 55.95 57.92 1pjz s SER 180 Cb 0.03 -2.56 -0.22 0.00 0.10 0.00 0.00 66.02 63.37 1pjz s SER 180 CO 0.52 -0.67 0.45 0.00 0.98 0.00 0.00 173.24 174.52 1pjz h ALA 181 N 1.73 0.16 -1.82 5.32 0.00 -1.82 -3.33 119.26 119.49 1pjz h ALA 181 Ca -0.49 -0.93 0.53 0.00 0.00 0.00 0.00 54.91 54.01 1pjz h ALA 181 Cb 1.21 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 1pjz h ALA 181 CO 0.60 0.44 1.39 0.54 0.00 0.00 0.00 179.25 182.22 1pjz n ARG 182 N -4.47 0.00 0.18 0.00 5.12 -1.26 -0.08 116.66 116.15 1pjz n ARG 182 Ca -0.23 1.07 -0.07 0.00 -1.93 0.00 0.00 57.85 56.68 1pjz n ARG 182 Cb 0.62 -2.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.38 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 -0.51 1.60 -0.13 0.00 -1.85 0.88 103.07 103.07 1pjz h GLY 183 Ca 0.87 0.19 0.00 0.00 0.00 0.00 0.00 47.33 48.38 1pjz h GLY 183 CO -0.01 -0.18 0.18 1.41 0.00 0.00 0.00 176.54 177.94 1pjz h LEU 184 N -0.74 0.00 0.22 3.11 -0.00 -0.63 2.12 115.31 119.40 1pjz h LEU 184 Ca -0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.49 1pjz h LEU 184 Cb 0.37 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.06 1pjz h LEU 184 CO 0.08 0.00 -1.58 0.50 -0.00 0.00 0.00 178.44 177.44 1pjz h LYS 185 N 0.00 0.47 0.22 1.13 3.64 -0.78 -3.35 116.57 117.90 1pjz h LYS 185 Ca 0.00 -0.81 -0.34 0.00 -1.27 0.00 0.00 60.65 58.23 1pjz h LYS 185 Cb 0.37 0.30 0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1pjz h LYS 185 CO 0.00 1.38 -1.62 0.00 -2.27 0.00 0.00 179.45 176.94 1pjz h ALA 186 N 0.17 0.01 0.00 5.00 0.00 0.23 -3.49 119.26 121.18 1pjz h ALA 186 Ca -0.28 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1pjz h ALA 186 Cb 2.14 0.32 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1pjz h ALA 186 CO 0.24 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.78 1pjz n GLY 187 N 1.79 0.80 0.08 0.00 0.00 0.68 -4.87 105.19 103.66 1pjz n GLY 187 Ca -0.21 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.85 -3.48 115.31 110.98 1pjz h LEU 188 Ca 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 57.88 57.33 1pjz h LEU 188 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1pjz h LEU 188 CO 0.00 1.08 0.00 -0.62 -0.00 0.00 0.00 178.44 178.90 1pjz n GLU 189 N -4.57 -0.60 0.00 1.13 -0.58 -1.26 -4.77 120.64 109.99 1pjz n GLU 189 Ca -0.16 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1pjz n GLU 189 Cb 0.46 -3.95 0.00 0.00 -0.57 0.00 0.00 31.44 27.38 1pjz n GLU 189 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1pjz n ARG 190 N -1.30 0.00 -3.53 3.49 1.85 -1.26 -4.97 116.66 110.95 1pjz n ARG 190 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 1pjz n ARG 190 Cb 0.15 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.52 1pjz n ARG 190 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pjz s MET 191 N 0.00 0.79 -0.08 2.89 0.23 -1.26 -4.90 119.30 116.98 1pjz s MET 191 Ca 0.00 -0.08 -0.30 0.00 -1.03 0.00 0.00 55.69 54.28 1pjz s MET 191 Cb 0.00 0.37 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 1pjz s MET 191 CO 0.00 -0.30 1.25 -0.51 -2.03 0.00 0.00 175.02 173.43 1pjz s ASP 192 N -1.84 6.99 -0.17 -1.18 1.11 -1.26 -3.65 116.67 116.66 1pjz s ASP 192 Ca 0.00 1.83 0.01 0.00 0.18 0.00 0.00 52.55 54.57 1pjz s ASP 192 Cb -0.01 -2.55 0.01 0.00 1.07 0.00 0.00 42.92 41.44 1pjz s ASP 192 CO -0.03 -0.66 -0.18 -0.70 1.18 0.00 0.00 175.17 174.78 1pjz s GLU 193 N 2.65 3.07 0.21 8.23 2.12 0.13 -0.85 118.70 134.26 1pjz s GLU 193 Ca 0.57 -0.80 -0.07 0.00 0.36 0.00 0.00 54.97 55.03 1pjz s GLU 193 Cb -0.25 -2.59 -0.06 0.00 0.26 0.00 0.00 34.13 31.49 1pjz s GLU 193 CO 0.21 -0.12 0.49 -1.01 -0.54 0.00 0.00 175.26 174.28 1pjz s HIS 194 N 1.11 3.45 0.03 5.30 3.76 0.88 -1.14 115.29 128.68 1pjz s HIS 194 Ca 0.00 0.72 0.01 0.00 -0.15 0.00 0.00 55.06 55.64 1pjz s HIS 194 Cb -0.14 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 1pjz s HIS 194 CO -0.07 0.31 -0.05 0.08 -0.85 0.00 0.00 174.74 174.16 1pjz s VAL 195 N -1.81 0.26 -0.20 -0.90 1.01 0.16 0.43 120.40 119.35 1pjz s VAL 195 Ca 0.44 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1pjz s VAL 195 Cb -0.11 -0.37 0.10 0.00 0.00 0.00 0.00 36.38 36.00 1pjz s VAL 195 CO 0.24 -0.42 0.33 -0.47 0.00 0.00 0.00 175.10 174.78 1pjz s TYR 196 N -1.33 -0.62 -0.74 5.22 6.14 -0.09 -0.14 117.35 125.79 1pjz s TYR 196 Ca -0.13 0.90 -0.22 0.00 0.64 0.00 0.00 57.07 58.26 1pjz s TYR 196 Cb -0.09 -0.01 0.08 0.00 0.42 0.00 0.00 41.96 42.36 1pjz s TYR 196 CO -0.00 -0.56 1.04 0.08 0.64 0.00 0.00 175.55 176.75 1pjz s VAL 197 N 2.49 4.36 -0.45 3.14 1.01 0.16 -0.91 120.40 130.20 1pjz s VAL 197 Ca 0.06 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1pjz s VAL 197 Cb -0.14 -4.74 0.05 0.00 0.00 0.00 0.00 36.38 31.55 1pjz s VAL 197 CO -0.13 -1.52 0.41 -1.48 0.00 0.00 0.00 175.10 172.38 1pjz s LEU 198 N 3.90 5.24 -0.66 3.92 2.34 0.12 0.25 118.68 133.79 1pjz s LEU 198 Ca 0.26 -1.02 -0.27 0.00 0.06 0.00 0.00 54.13 53.16 1pjz s LEU 198 Cb -0.13 -2.25 0.02 0.00 -0.56 0.00 0.00 46.19 43.26 1pjz s LEU 198 CO 0.05 -0.61 1.42 -0.70 -1.06 0.00 0.00 176.35 175.45 1pjz s GLU 199 N 1.88 3.13 -0.46 1.48 2.12 -0.02 0.37 118.70 127.21 1pjz s GLU 199 Ca 0.07 0.15 -0.27 0.00 0.36 0.00 0.00 54.97 55.28 1pjz s GLU 199 Cb -0.21 -4.19 -0.04 0.00 0.26 0.00 0.00 34.13 29.95 1pjz s GLU 199 CO 0.10 -2.18 2.03 0.50 -0.54 0.00 0.00 175.26 175.17 1pjz s ARG 200 N 5.88 2.74 0.00 4.30 3.00 0.18 -1.12 118.95 133.94 1pjz s ARG 200 Ca 0.47 1.21 0.29 0.00 -1.00 0.00 0.00 55.73 56.70 1pjz s ARG 200 Cb -0.10 -4.39 1.28 0.00 0.00 0.00 0.00 34.95 31.74 1pjz s ARG 200 CO 0.19 -2.56 1.87 1.33 0.00 0.00 0.00 175.30 176.14