#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 -4.45 117.38 117.28 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 -0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.25 1pjz n GLN 2 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1pjz n SER 3 N -1.33 0.00 -3.41 1.08 7.64 -1.26 -4.01 113.62 112.34 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 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.01 1.43 1.03 -1.26 -5.11 118.70 115.52 1pjz s GLU 4 Ca 0.00 -1.72 0.03 0.00 0.03 0.00 0.00 54.97 53.31 1pjz s GLU 4 Cb 0.00 -1.32 -0.01 0.00 -0.80 0.00 0.00 34.13 32.01 1pjz s GLU 4 CO 0.00 -1.31 -0.11 0.54 -1.33 0.00 0.00 175.26 173.06 1pjz s VAL 5 N 0.54 0.85 -0.66 1.83 0.11 -1.26 -4.72 120.40 117.09 1pjz s VAL 5 Ca 0.26 -0.45 -0.19 0.00 -2.93 0.00 0.00 61.98 58.68 1pjz s VAL 5 Cb -0.08 -0.72 -0.15 0.00 -1.53 0.00 0.00 36.38 33.90 1pjz s VAL 5 CO -0.10 0.24 1.75 0.59 -3.33 0.00 0.00 175.10 174.25 1pjz n ASN 6 N 2.91 0.08 -0.65 3.54 3.02 -0.99 -4.59 115.26 118.58 1pjz n ASN 6 Ca -0.15 0.07 0.51 0.00 -0.03 0.00 0.00 54.58 54.98 1pjz n ASN 6 Cb 0.56 -0.58 0.81 0.00 -0.61 0.00 0.00 39.78 39.95 1pjz n ASN 6 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1pjz h LYS 7 N 7.88 0.00 0.45 3.52 5.09 -1.96 0.58 116.57 132.14 1pjz h LYS 7 Ca -0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.69 1pjz h LYS 7 Cb 0.86 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.19 1pjz h LYS 7 CO 0.94 0.00 -0.22 -0.44 -2.09 0.00 0.00 179.45 177.64 1pjz h ASP 8 N 0.00 -0.51 -0.50 7.07 3.32 -1.97 0.35 116.42 124.18 1pjz h ASP 8 Ca 0.89 0.02 0.06 0.00 0.02 0.00 0.00 57.03 58.03 1pjz h ASP 8 Cb 3.55 0.13 -0.09 0.00 0.22 0.00 0.00 39.33 43.14 1pjz h ASP 8 CO -0.04 -0.18 -0.52 0.25 -1.72 0.00 0.00 179.24 177.03 1pjz h LEU 9 N -0.97 -1.77 -1.04 1.55 7.12 -0.24 2.21 115.31 122.18 1pjz h LEU 9 Ca -0.06 0.25 0.05 0.00 0.13 0.00 0.00 57.88 58.25 1pjz h LEU 9 Cb 0.46 0.75 -0.06 0.00 -0.53 0.00 0.00 40.66 41.28 1pjz h LEU 9 CO 0.10 -0.37 0.64 0.06 -0.13 0.00 0.00 178.44 178.74 1pjz h GLN 10 N -0.32 1.15 0.00 1.25 3.07 -1.24 0.41 115.11 119.43 1pjz h GLN 10 Ca 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.78 1pjz h GLN 10 Cb 0.57 -0.26 0.00 0.00 0.08 0.00 0.00 27.48 27.87 1pjz h GLN 10 CO -0.65 0.76 0.00 0.94 0.09 0.00 0.00 178.83 179.98 1pjz n GLN 11 N -4.48 0.00 -0.26 0.06 7.27 0.12 -0.78 117.38 119.32 1pjz n GLN 11 Ca 0.14 0.20 -0.04 0.00 0.07 0.00 0.00 57.00 57.37 1pjz n GLN 11 Cb 0.15 -0.95 0.01 0.00 2.41 0.00 0.00 30.24 31.86 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 -1.03 -0.25 3.69 0.05 0.34 0.39 116.97 120.16 1pjz h TYR 12 Ca 0.00 0.08 0.06 0.00 0.05 0.00 0.00 58.73 58.92 1pjz h TYR 12 Cb 0.00 0.55 -0.06 0.00 1.01 0.00 0.00 36.73 38.24 1pjz h TYR 12 CO 0.05 -0.39 -0.12 2.35 -1.05 0.00 0.00 178.16 178.99 1pjz h TRP 13 N -0.12 -0.30 -0.60 4.88 2.91 -0.26 1.72 115.95 124.18 1pjz h TRP 13 Ca 0.26 0.03 0.18 0.00 1.13 0.00 0.00 58.89 60.49 1pjz h TRP 13 Cb 0.56 0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.36 1pjz h TRP 13 CO -0.72 -0.19 0.47 1.03 -1.03 0.00 0.00 178.44 178.00 1pjz h SER 14 N -0.09 0.00 0.11 2.65 0.87 0.17 0.15 113.55 117.40 1pjz h SER 14 Ca 0.13 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.42 1pjz h SER 14 Cb 0.29 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1pjz h SER 14 CO -0.31 0.00 -1.39 -1.28 -0.53 0.00 0.00 176.83 173.32 1pjz h SER 15 N 0.00 0.35 -0.72 6.23 0.87 0.31 -3.32 113.55 117.27 1pjz h SER 15 Ca 0.29 -0.84 0.15 0.00 -1.23 0.00 0.00 61.79 60.16 1pjz h SER 15 Cb 1.22 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 63.02 1pjz h SER 15 CO -0.00 1.61 0.49 -0.07 -0.53 0.00 0.00 176.83 178.32 1pjz h LEU 16 N -0.34 0.33 -1.03 2.23 3.38 0.40 -3.44 115.31 116.84 1pjz h LEU 16 Ca -0.30 0.02 -0.58 0.00 0.09 0.00 0.00 57.88 57.11 1pjz h LEU 16 Cb 1.73 -0.05 -0.36 0.00 0.09 0.00 0.00 40.66 42.07 1pjz h LEU 16 CO 0.04 0.17 -0.84 -3.20 0.09 0.00 0.00 178.44 174.71 1pjz n ASN 17 N -4.46 -1.73 -4.33 -0.43 5.15 0.35 -4.78 115.26 105.03 1pjz n ASN 17 Ca 0.14 -1.12 -0.36 0.00 -0.60 0.00 0.00 54.58 52.64 1pjz n ASN 17 Cb 0.54 -1.52 0.06 0.00 -0.53 0.00 0.00 39.78 38.34 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 -3.87 0.79 -0.78 3.44 3.14 -1.26 -4.71 118.33 115.08 1pjz n VAL 18 Ca 0.11 -0.39 -0.26 0.00 -2.96 0.00 0.00 64.34 60.84 1pjz n VAL 18 Cb 0.44 -0.45 -0.01 0.00 -1.06 0.00 0.00 33.84 32.76 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 -2.53 0.67 -2.35 1.55 0.24 -1.26 -4.71 118.33 109.94 1pjz n VAL 19 Ca 0.07 -0.29 -0.43 0.00 -2.04 0.00 0.00 64.34 61.64 1pjz n VAL 19 Cb 0.51 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.86 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 -0.58 3.64 0.00 7.34 0.04 -1.26 -2.19 135.00 141.99 1pjz s PRO 20 Ca 0.36 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1pjz s PRO 20 Cb -0.44 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1pjz s PRO 20 CO 0.35 -1.48 0.00 0.41 0.04 0.00 0.00 177.00 176.32 1pjz n GLY 21 N 4.93 0.71 3.18 0.56 0.00 -1.19 -5.05 105.19 108.34 1pjz n GLY 21 Ca 0.16 0.00 -0.35 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 -1.85 -4.17 -2.64 4.61 0.00 -0.93 -3.25 120.51 112.28 1pjz n ALA 22 Ca 0.00 -0.61 -0.43 0.00 0.00 0.00 0.00 53.44 52.41 1pjz n ALA 22 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.56 4.07 -0.37 0.00 1.81 -0.76 -1.51 118.95 119.63 1pjz s ARG 23 Ca 0.48 1.02 -0.12 0.00 -1.72 0.00 0.00 55.73 55.40 1pjz s ARG 23 Cb -0.22 -3.72 0.02 0.00 -0.45 0.00 0.00 34.95 30.58 1pjz s ARG 23 CO 0.75 -0.83 0.22 0.08 -0.68 0.00 0.00 175.30 174.84 1pjz s VAL 24 N 3.48 4.76 0.40 3.52 1.01 0.11 -1.67 120.40 132.00 1pjz s VAL 24 Ca 0.43 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 1pjz s VAL 24 Cb -0.13 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 1pjz s VAL 24 CO 0.14 -0.19 0.82 -0.22 0.00 0.00 0.00 175.10 175.65 1pjz s LEU 25 N 1.60 3.88 -0.36 3.92 2.96 0.07 0.26 118.68 131.00 1pjz s LEU 25 Ca 0.03 1.32 0.00 0.00 -0.22 0.00 0.00 54.13 55.26 1pjz s LEU 25 Cb -0.19 -4.18 0.14 0.00 0.50 0.00 0.00 46.19 42.46 1pjz s LEU 25 CO 0.07 -0.37 0.21 -0.69 -1.32 0.00 0.00 176.35 174.26 1pjz s VAL 26 N -2.28 0.24 -0.35 1.68 1.01 0.61 -1.22 120.40 120.09 1pjz s VAL 26 Ca 0.55 -1.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 1pjz s VAL 26 Cb -0.10 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1pjz s VAL 26 CO 0.25 -0.99 1.37 -2.16 0.00 0.00 0.00 175.10 173.58 1pjz s PRO 27 N 1.00 3.75 -0.17 2.72 0.04 -1.25 -0.65 135.00 140.44 1pjz s PRO 27 Ca 0.18 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1pjz s PRO 27 Cb -0.23 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1pjz s PRO 27 CO 0.01 -1.34 0.00 1.47 0.04 0.00 0.00 177.00 177.17 1pjz n LEU 28 N 8.24 -0.16 -0.01 -3.56 -0.00 -0.70 -4.45 117.00 116.36 1pjz n LEU 28 Ca 0.16 0.35 0.10 0.00 -0.00 0.00 0.00 56.01 56.62 1pjz n LEU 28 Cb 0.47 -1.05 -0.15 0.00 -0.00 0.00 0.00 43.42 42.70 1pjz n LEU 28 CO 0.67 -0.04 -0.47 0.00 -0.00 0.00 0.00 177.39 177.55 1pjz n GLY 30 N 1.37 2.54 0.00 0.00 0.00 -1.18 -4.32 105.19 103.61 1pjz n GLY 30 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1pjz n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pjz n LYS 31 N 5.92 0.00 -0.39 1.61 5.02 -1.26 -4.83 118.16 124.23 1pjz n LYS 31 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1pjz n LYS 31 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1pjz n LYS 31 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pjz n SER 32 N 0.00 -2.29 -0.31 4.39 7.64 -1.26 -2.18 113.62 119.60 1pjz n SER 32 Ca 0.00 0.31 0.22 0.00 1.01 0.00 0.00 58.87 60.42 1pjz n SER 32 Cb 0.00 -1.29 0.51 0.00 -1.01 0.00 0.00 64.21 62.42 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 -0.38 0.38 0.53 1.43 7.50 -1.92 0.13 115.11 122.79 1pjz h GLN 33 Ca -0.03 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.08 1pjz h GLN 33 Cb 0.37 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 1pjz h GLN 33 CO 0.02 0.25 -0.41 0.38 -1.50 0.00 0.00 178.83 177.57 1pjz h ASP 34 N 0.40 -1.09 -0.09 1.46 2.03 -1.89 0.40 116.42 117.64 1pjz h ASP 34 Ca 0.57 0.08 0.04 0.00 -0.73 0.00 0.00 57.03 56.99 1pjz h ASP 34 Cb 1.46 0.34 -0.05 0.00 -0.83 0.00 0.00 39.33 40.25 1pjz h ASP 34 CO -0.27 -0.60 -0.23 -0.03 -1.03 0.00 0.00 179.24 177.07 1pjz h MET 35 N -0.93 -0.31 -0.28 4.15 -1.53 -0.52 0.26 114.93 115.78 1pjz h MET 35 Ca -0.06 0.02 0.08 0.00 -3.44 0.00 0.00 59.70 56.30 1pjz h MET 35 Cb 0.78 0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.89 1pjz h MET 35 CO 0.01 -0.21 0.21 0.77 0.14 0.00 0.00 176.91 177.83 1pjz h SER 36 N -0.32 0.00 0.15 1.39 0.02 -1.06 0.34 113.55 114.07 1pjz h SER 36 Ca 0.09 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.84 1pjz h SER 36 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1pjz h SER 36 CO -0.27 0.00 -0.76 -0.25 -1.14 0.00 0.00 176.83 174.40 1pjz h TRP 37 N 0.00 0.71 0.25 3.45 7.01 0.22 -0.25 115.95 127.34 1pjz h TRP 37 Ca 0.13 -0.32 -0.01 0.00 2.11 0.00 0.00 58.89 60.80 1pjz h TRP 37 Cb 0.56 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.51 1pjz h TRP 37 CO 0.00 1.10 -0.12 -0.07 -2.79 0.00 0.00 178.44 176.56 1pjz h LEU 38 N 0.35 -0.29 -0.65 0.65 -0.00 0.28 -2.51 115.31 113.15 1pjz h LEU 38 Ca -0.04 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 57.98 1pjz h LEU 38 Cb 1.36 0.07 -0.10 0.00 -0.00 0.00 0.00 40.66 42.00 1pjz h LEU 38 CO 0.14 -0.15 0.11 -1.28 -0.00 0.00 0.00 178.44 177.26 1pjz h SER 39 N -0.46 -0.07 0.00 -0.43 0.87 -1.03 0.95 113.55 113.39 1pjz h SER 39 Ca -0.03 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1pjz h SER 39 Cb 0.26 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1pjz h SER 39 CO 0.06 -0.04 0.17 1.23 -0.53 0.00 0.00 176.83 177.71 1pjz h GLY 40 N 0.22 0.00 0.27 5.77 0.00 -1.07 0.05 103.07 108.31 1pjz h GLY 40 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.30 1pjz h GLY 40 CO -0.47 0.00 -2.26 -1.06 0.00 0.00 0.00 176.54 172.76 1pjz n GLN 41 N -2.55 0.69 0.00 4.80 1.13 0.31 -5.03 117.38 116.73 1pjz n GLN 41 Ca -0.02 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1pjz n GLN 41 Cb 0.21 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 28.95 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 2.07 0.53 3.34 1.08 0.00 0.15 -5.02 105.19 107.34 1pjz n GLY 42 Ca -0.38 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.60 1.62 -1.20 1.61 1.51 -1.21 -3.17 117.35 115.92 1pjz s TYR 43 Ca 0.00 -0.83 -0.19 0.00 -1.01 0.00 0.00 57.07 55.04 1pjz s TYR 43 Cb 0.00 -0.91 0.07 0.00 -0.11 0.00 0.00 41.96 41.00 1pjz s TYR 43 CO 0.00 0.08 1.63 -1.58 -1.11 0.00 0.00 175.55 174.57 1pjz s HIS 44 N -3.28 2.73 -0.20 2.71 2.46 -0.57 -4.55 115.29 114.60 1pjz s HIS 44 Ca 0.27 -1.39 -0.29 0.00 0.47 0.00 0.00 55.06 54.11 1pjz s HIS 44 Cb 0.04 -4.72 -0.02 0.00 -0.13 0.00 0.00 32.58 27.75 1pjz s HIS 44 CO 0.08 -1.83 1.44 0.08 -2.47 0.00 0.00 174.74 172.04 1pjz s VAL 45 N 4.37 3.96 -0.05 0.89 1.01 -1.26 0.08 120.40 129.40 1pjz s VAL 45 Ca 0.51 1.12 -0.08 0.00 0.00 0.00 0.00 61.98 63.53 1pjz s VAL 45 Cb 0.02 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1pjz s VAL 45 CO 0.02 -0.25 0.20 0.54 0.00 0.00 0.00 175.10 175.60 1pjz s VAL 46 N 4.31 0.03 -1.41 2.92 0.11 0.14 -1.37 120.40 125.14 1pjz s VAL 46 Ca 0.63 -0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 1pjz s VAL 46 Cb -0.23 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1pjz s VAL 46 CO 0.23 -0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 1pjz n GLY 47 N 2.32 -1.52 3.38 6.54 0.00 -0.30 0.22 105.19 115.83 1pjz n GLY 47 Ca -0.17 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.74 2.22 -0.44 4.61 0.00 0.18 -1.20 121.76 125.39 1pjz s ALA 48 Ca 0.00 -1.65 -0.01 0.00 0.00 0.00 0.00 51.96 50.30 1pjz s ALA 48 Cb 0.00 -0.18 0.12 0.00 0.00 0.00 0.00 23.12 23.06 1pjz s ALA 48 CO 0.00 0.21 0.22 -2.00 0.00 0.00 0.00 175.76 174.19 1pjz s GLU 49 N -3.22 1.99 -0.97 0.00 2.56 -0.42 -1.73 118.70 116.92 1pjz s GLU 49 Ca 0.22 -2.02 -0.23 0.00 0.00 0.00 0.00 54.97 52.94 1pjz s GLU 49 Cb -0.04 -3.52 -0.13 0.00 2.00 0.00 0.00 34.13 32.44 1pjz s GLU 49 CO 0.09 -1.07 1.92 1.28 -0.56 0.00 0.00 175.26 176.92 1pjz n LEU 50 N 4.22 3.35 -3.70 2.70 7.99 -1.21 0.38 117.00 130.72 1pjz n LEU 50 Ca 0.01 -2.98 -0.11 0.00 -0.01 0.00 0.00 56.01 52.92 1pjz n LEU 50 Cb 0.40 -1.44 -0.10 0.00 -0.11 0.00 0.00 43.42 42.17 1pjz n LEU 50 CO 0.31 -1.30 0.09 -0.44 -1.51 0.00 0.00 177.39 174.54 1pjz s SER 51 N 5.95 -0.52 -0.23 -1.43 0.01 -0.00 -4.99 113.70 112.49 1pjz s SER 51 Ca 0.64 0.92 -0.16 0.00 1.31 0.00 0.00 55.95 58.66 1pjz s SER 51 Cb 0.06 0.84 -0.11 0.00 0.21 0.00 0.00 66.02 67.02 1pjz s SER 51 CO 0.14 -0.18 -0.27 -0.62 0.41 0.00 0.00 173.24 172.71 1pjz n GLU 52 N 3.81 0.56 -0.03 12.44 1.02 -1.26 -3.44 120.64 133.73 1pjz n GLU 52 Ca -0.20 0.30 -0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1pjz n GLU 52 Cb 0.56 -1.52 0.29 0.00 -0.02 0.00 0.00 31.44 30.75 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 -0.94 1.39 -0.21 0.62 0.00 -1.99 -1.22 119.26 116.92 1pjz h ALA 53 Ca -0.42 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 1pjz h ALA 53 Cb 1.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1pjz h ALA 53 CO -0.25 0.44 -0.47 0.00 0.00 0.00 0.00 179.25 178.96 1pjz h ALA 54 N 1.51 0.79 0.13 0.00 0.00 -1.98 -1.01 119.26 118.70 1pjz h ALA 54 Ca 0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1pjz h ALA 54 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pjz h ALA 54 CO -0.00 0.67 -0.06 0.28 0.00 0.00 0.00 179.25 180.13 1pjz h VAL 55 N 0.43 0.92 -0.65 0.00 2.07 -1.33 0.36 116.25 118.05 1pjz h VAL 55 Ca 0.02 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1pjz h VAL 55 Cb 0.99 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1pjz h VAL 55 CO 0.09 0.05 0.41 -0.33 0.02 0.00 0.00 177.57 177.81 1pjz h GLU 56 N -0.28 0.87 -0.57 1.57 4.39 -1.21 -1.05 114.58 118.30 1pjz h GLU 56 Ca -0.02 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 1pjz h GLU 56 Cb 0.23 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1pjz h GLU 56 CO 0.03 0.60 0.18 -0.09 -1.16 0.00 0.00 179.01 178.58 1pjz h ARG 57 N 0.89 0.86 -0.45 2.33 2.43 -0.94 0.41 114.38 119.91 1pjz h ARG 57 Ca 0.24 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1pjz h ARG 57 Cb -0.06 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 1pjz h ARG 57 CO -0.05 0.74 0.13 1.88 -1.51 0.00 0.00 179.97 181.16 1pjz h TYR 58 N 0.84 0.72 0.00 2.20 -1.99 0.49 0.36 116.97 119.59 1pjz h TYR 58 Ca 0.19 -0.08 -0.10 0.00 2.00 0.00 0.00 58.73 60.74 1pjz h TYR 58 Cb 0.24 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 1pjz h TYR 58 CO 0.01 0.66 -0.49 0.74 -0.00 0.00 0.00 178.16 179.08 1pjz h PHE 59 N 0.58 0.00 0.10 4.88 0.04 -0.86 -0.93 116.94 120.76 1pjz h PHE 59 Ca 0.14 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.64 1pjz h PHE 59 Cb 0.28 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.44 1pjz h PHE 59 CO 0.01 0.49 -1.18 0.00 -0.60 0.00 0.00 178.31 177.03 1pjz h THR 60 N 0.00 1.37 -0.18 -1.55 1.03 -0.56 0.41 112.91 113.44 1pjz h THR 60 Ca -0.00 -2.62 -0.08 0.00 -0.01 0.00 0.00 66.41 63.69 1pjz h THR 60 Cb 0.94 2.70 -0.00 0.00 -1.07 0.00 0.00 68.15 70.72 1pjz h THR 60 CO 0.06 0.78 -0.19 -0.33 -0.01 0.00 0.00 175.52 175.84 1pjz h GLU 61 N 0.21 0.45 0.04 0.00 5.08 -0.16 -3.20 114.58 116.99 1pjz h GLU 61 Ca -0.15 -0.24 -0.22 0.00 -1.00 0.00 0.00 59.36 57.75 1pjz h GLU 61 Cb 1.86 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 1pjz h GLU 61 CO 0.21 0.81 -1.00 0.00 -1.00 0.00 0.00 179.01 178.04 1pjz h ARG 62 N 0.10 0.22 -2.27 2.33 3.08 -1.26 -3.48 114.38 113.10 1pjz h ARG 62 Ca 0.03 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.67 1pjz h ARG 62 Cb 0.74 0.09 0.04 0.00 0.08 0.00 0.00 29.97 30.92 1pjz h ARG 62 CO 0.05 1.05 -0.20 0.41 -1.07 0.00 0.00 179.97 180.20 1pjz n GLY 63 N 1.12 0.45 0.48 0.04 0.00 0.14 -4.80 105.19 102.62 1pjz n GLY 63 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.84 -1.30 0.00 1.61 1.02 -0.98 -5.03 120.64 114.11 1pjz n GLU 64 Ca -0.01 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 1pjz n GLU 64 Cb 0.52 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 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 -1.54 0.00 0.00 3.49 6.02 -1.26 -5.14 117.38 118.95 1pjz n GLN 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1pjz n GLN 65 Cb 0.10 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.36 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 0.50 -3.66 -1.09 -0.04 -1.26 -5.02 135.00 124.43 1pjz n PRO 66 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1pjz n PRO 66 Cb 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.34 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 -0.33 3.24 -0.22 0.54 3.76 -0.48 -4.98 115.29 116.81 1pjz s HIS 67 Ca 0.00 -1.09 -0.07 0.00 -0.15 0.00 0.00 55.06 53.75 1pjz s HIS 67 Cb 0.00 -2.37 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 1pjz s HIS 67 CO 0.00 -0.66 0.04 0.42 -0.85 0.00 0.00 174.74 173.70 1pjz s ILE 68 N 1.50 4.26 0.12 0.60 -1.09 -1.26 -1.03 121.20 124.30 1pjz s ILE 68 Ca 0.01 -0.20 0.09 0.00 -2.23 0.00 0.00 60.65 58.32 1pjz s ILE 68 Cb -0.19 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 1pjz s ILE 68 CO 0.05 0.39 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.05 1pjz s THR 69 N 1.21 1.80 -0.45 2.92 2.01 -0.23 -4.98 115.64 117.92 1pjz s THR 69 Ca 0.04 -1.64 -0.08 0.00 0.31 0.00 0.00 61.69 60.32 1pjz s THR 69 Cb -0.14 -1.66 0.11 0.00 0.01 0.00 0.00 72.50 70.81 1pjz s THR 69 CO 0.03 -0.09 0.31 -0.44 -0.69 0.00 0.00 174.62 173.73 1pjz s SER 70 N -2.07 5.63 -1.06 3.53 0.01 -1.26 -0.96 113.70 117.53 1pjz s SER 70 Ca 0.09 -1.81 -0.16 0.00 1.31 0.00 0.00 55.95 55.38 1pjz s SER 70 Cb -0.09 -1.98 0.15 0.00 0.21 0.00 0.00 66.02 64.30 1pjz s SER 70 CO 0.05 -0.63 1.27 -1.10 0.41 0.00 0.00 173.24 173.24 1pjz s GLN 71 N 1.36 3.83 2.17 12.44 1.11 0.14 -4.86 119.66 135.85 1pjz s GLN 71 Ca 0.05 -2.14 0.00 0.00 0.01 0.00 0.00 55.36 53.28 1pjz s GLN 71 Cb -0.25 -4.99 0.00 0.00 -1.01 0.00 0.00 33.01 26.76 1pjz s GLN 71 CO -0.00 -1.77 0.00 0.41 0.01 0.00 0.00 175.29 173.94 1pjz n GLY 72 N 4.85 0.55 0.00 3.09 0.00 -1.26 0.21 105.19 112.63 1pjz n GLY 72 Ca 0.30 0.57 0.03 0.00 0.00 0.00 0.00 46.02 46.92 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 3.91 1.57 -4.99 1.61 2.03 -1.26 -5.03 116.55 114.40 1pjz n ASP 73 Ca 0.00 -0.39 -0.19 0.00 0.52 0.00 0.00 54.79 54.73 1pjz n ASP 73 Cb 0.00 1.11 0.04 0.00 -0.72 0.00 0.00 41.12 41.55 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 -1.91 2.32 0.18 -0.67 0.08 0.13 -5.06 117.98 113.06 1pjz s PHE 74 Ca 0.01 -0.43 0.07 0.00 0.12 0.00 0.00 56.93 56.70 1pjz s PHE 74 Cb 0.04 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 1pjz s PHE 74 CO 0.25 -0.79 -0.14 0.21 -0.10 0.00 0.00 175.22 174.65 1pjz s LYS 75 N -4.56 1.23 -0.21 0.44 2.20 -1.26 0.26 119.74 117.83 1pjz s LYS 75 Ca 0.58 -1.48 -0.04 0.00 -0.36 0.00 0.00 55.97 54.67 1pjz s LYS 75 Cb -0.08 -1.03 0.08 0.00 -1.51 0.00 0.00 37.83 35.29 1pjz s LYS 75 CO 0.36 0.18 0.16 0.54 -0.36 0.00 0.00 175.35 176.23 1pjz s VAL 76 N -2.76 -0.19 -0.42 4.02 0.11 -0.13 -1.33 120.40 119.69 1pjz s VAL 76 Ca 0.18 -0.28 -0.07 0.00 -2.93 0.00 0.00 61.98 58.88 1pjz s VAL 76 Cb -0.02 -0.71 0.09 0.00 -1.53 0.00 0.00 36.38 34.21 1pjz s VAL 76 CO 0.05 -0.35 0.24 -0.47 -3.33 0.00 0.00 175.10 171.24 1pjz s TYR 77 N 2.21 3.42 0.01 1.54 5.04 0.56 -1.07 117.35 129.06 1pjz s TYR 77 Ca 0.05 -1.87 -0.10 0.00 -2.44 0.00 0.00 57.07 52.72 1pjz s TYR 77 Cb -0.16 -3.08 -0.05 0.00 0.35 0.00 0.00 41.96 39.02 1pjz s TYR 77 CO -0.17 -0.91 0.34 0.00 -1.34 0.00 0.00 175.55 173.46 1pjz s ALA 78 N 1.32 3.77 0.21 3.97 0.00 -0.20 -1.15 121.76 129.69 1pjz s ALA 78 Ca 0.04 -0.42 0.10 0.00 0.00 0.00 0.00 51.96 51.69 1pjz s ALA 78 Cb -0.23 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1pjz s ALA 78 CO -0.00 0.57 -0.16 0.00 0.00 0.00 0.00 175.76 176.17 1pjz s ALA 79 N -1.23 2.78 -0.36 0.00 0.00 -1.24 -1.38 121.76 120.32 1pjz s ALA 79 Ca 0.27 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 1pjz s ALA 79 Cb -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1pjz s ALA 79 CO 0.14 0.40 1.38 -1.25 0.00 0.00 0.00 175.76 176.43 1pjz s PRO 80 N -2.98 3.72 0.00 0.00 0.04 -1.26 -3.45 135.00 131.07 1pjz s PRO 80 Ca 0.25 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1pjz s PRO 80 Cb -0.08 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1pjz s PRO 80 CO 0.14 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1pjz n GLY 81 N 4.75 3.33 3.71 0.56 0.00 -1.26 -5.08 105.19 111.20 1pjz n GLY 81 Ca 0.16 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 1pjz n GLY 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pjz s ILE 82 N 0.00 3.55 -0.81 -0.61 -1.16 -1.22 -4.97 121.20 115.98 1pjz s ILE 82 Ca 0.00 -1.72 -0.00 0.00 -0.51 0.00 0.00 60.65 58.41 1pjz s ILE 82 Cb 0.00 -3.01 0.36 0.00 0.61 0.00 0.00 42.46 40.41 1pjz s ILE 82 CO 0.00 -0.31 1.80 -0.62 -2.81 0.00 0.00 174.94 173.00 1pjz n GLU 83 N -1.04 3.36 -3.81 3.50 4.71 -0.47 -4.04 120.64 122.84 1pjz n GLU 83 Ca -0.06 -3.94 -0.36 0.00 -0.01 0.00 0.00 57.16 52.79 1pjz n GLU 83 Cb 0.59 -2.30 -0.12 0.00 -1.01 0.00 0.00 31.44 28.61 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1pjz s ILE 84 N -4.99 4.58 -0.37 -3.67 -1.09 -1.26 -1.15 121.20 113.25 1pjz s ILE 84 Ca 0.49 -0.09 -0.05 0.00 -2.23 0.00 0.00 60.65 58.77 1pjz s ILE 84 Cb 0.38 -3.12 0.07 0.00 -1.58 0.00 0.00 42.46 38.21 1pjz s ILE 84 CO -0.32 0.36 0.15 -1.66 -1.23 0.00 0.00 174.94 172.23 1pjz s TRP 85 N 1.30 3.38 0.26 3.97 1.48 -0.34 -3.58 118.94 125.41 1pjz s TRP 85 Ca 0.05 -1.88 -0.30 0.00 -1.06 0.00 0.00 56.10 52.92 1pjz s TRP 85 Cb -0.15 -2.70 -0.09 0.00 -1.16 0.00 0.00 33.47 29.38 1pjz s TRP 85 CO 0.04 -0.85 1.21 0.00 -4.06 0.00 0.00 176.95 173.29 1pjz n GLY 87 N 1.54 0.82 3.27 0.00 0.00 0.16 -0.32 105.19 110.66 1pjz n GLY 87 Ca 0.02 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 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 1.51 -0.37 1.61 2.15 -0.45 -0.82 116.67 116.30 1pjz s ASP 88 Ca 0.00 -1.17 -0.02 0.00 0.43 0.00 0.00 52.55 51.80 1pjz s ASP 88 Cb 0.00 0.06 0.09 0.00 -0.30 0.00 0.00 42.92 42.78 1pjz s ASP 88 CO 0.00 -0.52 0.13 0.12 -0.17 0.00 0.00 175.17 174.73 1pjz s PHE 89 N -3.53 3.53 0.00 -5.34 2.19 -1.26 -4.69 117.98 108.88 1pjz s PHE 89 Ca 0.25 -2.36 0.00 0.00 0.33 0.00 0.00 56.93 55.14 1pjz s PHE 89 Cb 0.05 -2.90 0.00 0.00 -1.31 0.00 0.00 43.02 38.87 1pjz s PHE 89 CO 0.05 -0.93 0.00 0.34 1.83 0.00 0.00 175.22 176.52 1pjz n PHE 90 N 4.55 0.00 0.00 10.12 -0.00 -1.26 -5.04 117.46 125.84 1pjz n PHE 90 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 1pjz n PHE 90 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.90 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1pjz n ALA 91 N 0.00 0.67 -1.60 3.13 0.00 -1.26 -5.10 120.51 116.34 1pjz n ALA 91 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1pjz n ALA 91 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 1pjz n ALA 91 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1pjz s LEU 92 N -4.02 1.95 -0.73 0.00 -0.00 -1.26 -5.01 118.68 109.61 1pjz s LEU 92 Ca 0.00 0.48 -0.03 0.00 -0.00 0.00 0.00 54.13 54.58 1pjz s LEU 92 Cb 0.00 -2.45 0.18 0.00 -0.00 0.00 0.00 46.19 43.92 1pjz s LEU 92 CO 0.00 -3.17 0.57 -0.89 -0.00 0.00 0.00 176.35 172.86 1pjz s THR 93 N -3.52 3.99 0.65 5.48 2.01 -1.26 -4.89 115.64 118.10 1pjz s THR 93 Ca 0.72 -3.28 0.26 0.00 0.31 0.00 0.00 61.69 59.70 1pjz s THR 93 Cb -0.07 -3.55 0.28 0.00 0.01 0.00 0.00 72.50 69.17 1pjz s THR 93 CO 0.54 -0.96 1.79 0.00 -0.69 0.00 0.00 174.62 175.30 1pjz h ALA 94 N 6.67 1.63 0.21 7.40 0.00 -1.95 0.94 119.26 134.16 1pjz h ALA 94 Ca 0.05 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 1pjz h ALA 94 Cb 0.90 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.73 1pjz h ALA 94 CO 0.76 -0.53 -1.47 0.07 0.00 0.00 0.00 179.25 178.07 1pjz h ARG 95 N 0.00 0.43 -0.17 0.00 0.11 0.16 0.32 114.38 115.23 1pjz h ARG 95 Ca 0.06 -0.74 -0.17 0.00 0.10 0.00 0.00 59.98 59.22 1pjz h ARG 95 Cb 0.99 0.28 -0.00 0.00 1.11 0.00 0.00 29.97 32.34 1pjz h ARG 95 CO -0.00 1.35 -0.60 0.22 0.10 0.00 0.00 179.97 181.03 1pjz h ASP 96 N 0.12 0.64 0.01 0.08 3.58 0.48 -0.06 116.42 121.26 1pjz h ASP 96 Ca -0.24 -0.36 -0.00 0.00 0.42 0.00 0.00 57.03 56.85 1pjz h ASP 96 Cb 2.10 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.97 1pjz h ASP 96 CO 0.24 1.09 -0.00 0.16 -2.88 0.00 0.00 179.24 177.84 1pjz h ILE 97 N 0.42 1.18 0.39 2.25 3.07 -0.71 -3.37 117.51 120.74 1pjz h ILE 97 Ca -0.00 -1.86 -0.01 0.00 1.55 0.00 0.00 64.86 64.54 1pjz h ILE 97 Cb 1.16 2.23 -0.02 0.00 -0.27 0.00 0.00 36.82 39.92 1pjz h ILE 97 CO 0.11 0.40 -0.42 1.23 -1.05 0.00 0.00 178.15 178.42 1pjz h GLY 98 N -0.99 -1.18 0.00 0.16 0.00 -0.43 -3.42 103.07 97.21 1pjz h GLY 98 Ca -0.00 0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1pjz h GLY 98 CO 0.00 -0.35 0.00 1.42 0.00 0.00 0.00 176.54 177.61 1pjz n HIS 99 N -4.97 0.00 -4.39 5.60 8.25 -0.04 -3.78 115.22 115.89 1pjz n HIS 99 Ca -0.10 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.12 1pjz n HIS 99 Cb 0.38 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.33 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pjz n ALA 101 N 4.04 0.00 -3.14 0.00 0.00 0.55 -1.83 120.51 120.13 1pjz n ALA 101 Ca -0.22 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.24 1pjz n ALA 101 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.31 -0.47 -3.61 0.00 0.00 -0.67 0.18 120.51 115.64 1pjz n ALA 102 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1pjz n ALA 102 Cb 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.99 -0.46 -0.35 0.00 -0.71 -0.25 -0.75 117.98 111.47 1pjz s PHE 103 Ca 0.04 0.99 -0.13 0.00 -1.04 0.00 0.00 56.93 56.79 1pjz s PHE 103 Cb -0.00 0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 42.19 1pjz s PHE 103 CO 0.00 -0.31 0.24 -0.47 -1.34 0.00 0.00 175.22 173.35 1pjz s TYR 104 N -0.38 3.23 -0.16 3.49 5.04 -0.36 -1.27 117.35 126.94 1pjz s TYR 104 Ca 0.00 -0.24 -0.08 0.00 -2.44 0.00 0.00 57.07 54.32 1pjz s TYR 104 Cb -0.03 -2.48 -0.04 0.00 0.35 0.00 0.00 41.96 39.75 1pjz s TYR 104 CO -0.02 -0.38 0.10 0.34 -1.34 0.00 0.00 175.55 174.26 1pjz s ASP 105 N 1.72 6.04 0.45 4.32 -1.08 -0.22 -3.85 116.67 124.05 1pjz s ASP 105 Ca 0.06 0.27 0.08 0.00 -0.52 0.00 0.00 52.55 52.44 1pjz s ASP 105 Cb -0.18 -1.99 0.02 0.00 -1.46 0.00 0.00 42.92 39.32 1pjz s ASP 105 CO 0.10 0.28 0.58 -0.60 0.52 0.00 0.00 175.17 176.06 1pjz s ARG 106 N -0.25 2.66 -0.83 4.34 3.52 -1.26 -0.17 118.95 126.97 1pjz s ARG 106 Ca 0.10 -1.39 -0.25 0.00 -0.13 0.00 0.00 55.73 54.06 1pjz s ARG 106 Cb -0.12 -2.66 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 1pjz s ARG 106 CO 0.01 -0.39 1.87 0.00 -0.81 0.00 0.00 175.30 175.98 1pjz s ALA 107 N -2.45 1.90 -0.02 6.12 0.00 -0.59 -4.52 121.76 122.21 1pjz s ALA 107 Ca 0.55 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1pjz s ALA 107 Cb -0.08 -4.48 -0.01 0.00 0.00 0.00 0.00 23.12 18.55 1pjz s ALA 107 CO 0.33 -4.44 -0.01 0.00 0.00 0.00 0.00 175.76 171.64 1pjz n ALA 108 N 13.15 1.96 0.21 0.00 0.00 -1.26 -4.64 120.51 129.93 1pjz n ALA 108 Ca 0.33 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.74 1pjz n ALA 108 Cb 0.49 0.39 0.48 0.00 0.00 0.00 0.00 19.45 20.80 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 -1.89 -0.63 114.93 112.41 1pjz h MET 109 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1pjz h MET 109 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.68 1pjz h MET 109 CO -0.00 0.26 0.00 0.44 -0.00 0.00 0.00 176.91 177.61 1pjz n ILE 110 N -4.03 0.84 -0.11 -0.10 -0.00 -1.26 -3.03 119.36 111.66 1pjz n ILE 110 Ca -0.02 0.20 -0.23 0.00 -0.00 0.00 0.00 62.75 62.70 1pjz n ILE 110 Cb 0.33 -0.97 -0.10 0.00 -0.00 0.00 0.00 39.64 38.90 1pjz n ILE 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pjz n ALA 111 N -1.58 0.92 -1.62 -1.28 0.00 -0.30 0.67 120.51 117.33 1pjz n ALA 111 Ca 0.04 -0.74 -0.29 0.00 0.00 0.00 0.00 53.44 52.45 1pjz n ALA 111 Cb 0.21 -0.22 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1pjz n ALA 111 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1pjz s LEU 112 N -7.76 2.41 0.71 0.00 2.34 -0.87 -4.93 118.68 110.58 1pjz s LEU 112 Ca -0.32 1.11 -0.11 0.00 0.06 0.00 0.00 54.13 54.87 1pjz s LEU 112 Cb 0.09 -3.62 0.01 0.00 -0.56 0.00 0.00 46.19 42.11 1pjz s LEU 112 CO 0.51 -2.10 1.06 -2.16 -1.06 0.00 0.00 176.35 172.61 1pjz s PRO 113 N -5.27 2.85 0.06 1.48 0.04 -1.26 -4.72 135.00 128.17 1pjz s PRO 113 Ca 0.62 0.92 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 1pjz s PRO 113 Cb -0.14 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1pjz s PRO 113 CO 0.53 -1.15 1.26 0.00 0.04 0.00 0.00 177.00 177.68 1pjz h ALA 114 N -0.76 -0.58 -0.96 8.56 0.00 -1.96 0.90 119.26 124.46 1pjz h ALA 114 Ca -0.44 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.62 1pjz h ALA 114 Cb 1.22 0.86 -0.16 0.00 0.00 0.00 0.00 17.79 19.70 1pjz h ALA 114 CO 0.57 -0.70 -0.32 -0.25 0.00 0.00 0.00 179.25 178.55 1pjz n ASP 115 N -3.97 -0.52 -0.24 0.00 9.92 -1.26 0.16 116.55 120.65 1pjz n ASP 115 Ca -0.02 1.66 -0.06 0.00 -0.53 0.00 0.00 54.79 55.84 1pjz n ASP 115 Cb 0.17 -0.43 0.05 0.00 -0.64 0.00 0.00 41.12 40.27 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1pjz h MET 116 N 0.00 0.89 -0.30 -1.24 4.05 -1.44 -1.35 114.93 115.54 1pjz h MET 116 Ca 0.38 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.78 1pjz h MET 116 Cb 0.62 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 31.18 1pjz h MET 116 CO -0.96 0.60 0.05 0.00 0.23 0.00 0.00 176.91 176.83 1pjz h ARG 117 N 0.90 0.15 -0.62 0.39 3.08 0.89 0.48 114.38 119.65 1pjz h ARG 117 Ca 0.24 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.30 1pjz h ARG 117 Cb -0.08 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1pjz h ARG 117 CO -0.05 0.10 0.39 0.93 -1.07 0.00 0.00 179.97 180.27 1pjz h GLU 118 N 0.15 0.75 0.00 0.04 5.08 -0.13 0.26 114.58 120.74 1pjz h GLU 118 Ca 0.14 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1pjz h GLU 118 Cb 0.16 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1pjz h GLU 118 CO -0.20 0.50 -0.10 0.00 -1.00 0.00 0.00 179.01 178.22 1pjz h ARG 119 N 0.78 0.00 0.00 2.33 2.47 -0.46 -0.70 114.38 118.80 1pjz h ARG 119 Ca 0.24 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1pjz h ARG 119 Cb -0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1pjz h ARG 119 CO -0.08 0.10 -0.00 -0.92 0.56 0.00 0.00 179.97 179.62 1pjz h TYR 120 N 0.00 -0.00 -0.65 3.04 3.20 0.17 -0.86 116.97 121.88 1pjz h TYR 120 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1pjz h TYR 120 Cb 0.54 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 1pjz h TYR 120 CO 0.00 0.98 0.19 -0.39 -1.64 0.00 0.00 178.16 177.30 1pjz h VAL 121 N -0.98 1.24 0.01 1.81 -1.51 -0.50 0.24 116.25 116.56 1pjz h VAL 121 Ca -0.00 -0.85 -0.00 0.00 -1.23 0.00 0.00 66.70 64.62 1pjz h VAL 121 Cb 0.98 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1pjz h VAL 121 CO 0.00 0.33 -0.00 0.06 -1.23 0.00 0.00 177.57 176.72 1pjz h GLN 122 N 0.96 -0.01 -0.75 5.19 3.07 -1.23 -1.01 115.11 121.32 1pjz h GLN 122 Ca 0.21 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.99 1pjz h GLN 122 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.80 1pjz h GLN 122 CO -0.01 0.45 0.47 1.25 0.09 0.00 0.00 178.83 181.08 1pjz h HIS 123 N -0.48 0.87 0.48 0.06 2.76 -0.98 0.31 115.15 118.18 1pjz h HIS 123 Ca -0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1pjz h HIS 123 Cb 0.47 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1pjz h HIS 123 CO 0.09 0.49 -0.24 1.25 -1.30 0.00 0.00 177.93 178.21 1pjz h LEU 124 N 0.90 -0.59 -2.13 0.26 7.12 -0.49 -1.22 115.31 119.17 1pjz h LEU 124 Ca 0.31 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.35 1pjz h LEU 124 Cb 0.05 0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.34 1pjz h LEU 124 CO -0.13 -0.40 0.29 1.05 -0.13 0.00 0.00 178.44 179.12 1pjz h GLU 125 N -0.66 0.00 0.38 1.25 -0.00 -1.02 0.91 114.58 115.43 1pjz h GLU 125 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.28 1pjz h GLU 125 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.27 1pjz h GLU 125 CO 0.10 0.00 -0.18 0.00 -0.00 0.00 0.00 179.01 178.93 1pjz h ALA 126 N 1.43 -0.51 -0.14 1.06 0.00 0.46 -2.93 119.26 118.64 1pjz h ALA 126 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1pjz h ALA 126 Cb 0.60 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pjz h ALA 126 CO -0.00 -0.57 0.00 1.47 0.00 0.00 0.00 179.25 180.15 1pjz n LEU 127 N -5.15 1.22 -4.90 0.00 -0.00 -0.29 -4.86 117.00 103.02 1pjz n LEU 127 Ca -0.09 -0.61 -0.28 0.00 -0.00 0.00 0.00 56.01 55.02 1pjz n LEU 127 Cb 0.28 -0.26 -0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1pjz n LEU 127 CO 0.26 0.25 0.50 -0.04 -0.00 0.00 0.00 177.39 178.36 1pjz s MET 128 N -1.64 3.57 0.00 1.47 -1.94 0.16 0.18 119.30 121.09 1pjz s MET 128 Ca 0.10 0.32 0.00 0.00 -1.71 0.00 0.00 55.69 54.41 1pjz s MET 128 Cb 0.06 -2.32 0.00 0.00 2.01 0.00 0.00 34.83 34.59 1pjz s MET 128 CO 0.06 -0.27 0.00 -0.35 -0.01 0.00 0.00 175.02 174.45 1pjz n PRO 129 N -2.31 0.00 0.00 2.03 -0.04 -1.26 -4.58 135.00 128.85 1pjz n PRO 129 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1pjz n PRO 129 Cb 0.55 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 0.00 0.00 -4.03 0.54 7.27 -1.23 -4.97 117.38 114.96 1pjz n GLN 130 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 1pjz n GLN 130 Cb 0.00 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.50 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pjz s ALA 131 N -0.29 2.77 -0.29 1.69 0.00 -0.66 -2.41 121.76 122.57 1pjz s ALA 131 Ca 0.00 -2.21 -0.16 0.00 0.00 0.00 0.00 51.96 49.59 1pjz s ALA 131 Cb 0.00 -1.83 0.17 0.00 0.00 0.00 0.00 23.12 21.46 1pjz s ALA 131 CO 0.00 -1.49 1.09 0.00 0.00 0.00 0.00 175.76 175.37 1pjz s SER 133 N 1.22 6.43 0.03 0.00 0.01 0.13 0.37 113.70 121.90 1pjz s SER 133 Ca -0.09 -0.04 -0.23 0.00 1.31 0.00 0.00 55.95 56.90 1pjz s SER 133 Cb -0.03 -2.48 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 1pjz s SER 133 CO -0.13 -1.25 0.70 -0.83 0.41 0.00 0.00 173.24 172.15 1pjz s GLY 134 N 2.68 2.72 -0.33 3.44 0.00 0.24 -1.09 107.32 114.98 1pjz s GLY 134 Ca 0.37 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1pjz s GLY 134 CO 0.24 0.97 0.11 -2.27 0.00 0.00 0.00 173.10 172.15 1pjz s LEU 135 N -0.10 2.61 0.25 0.66 1.98 -0.40 0.16 118.68 123.84 1pjz s LEU 135 Ca 0.36 -1.85 -0.23 0.00 -2.89 0.00 0.00 54.13 49.52 1pjz s LEU 135 Cb -0.20 -0.98 -0.09 0.00 0.66 0.00 0.00 46.19 45.59 1pjz s LEU 135 CO 0.21 -0.39 0.82 -0.22 -1.89 0.00 0.00 176.35 174.88 1pjz s LEU 136 N 1.35 4.40 -0.39 -0.68 2.96 0.96 -1.06 118.68 126.22 1pjz s LEU 136 Ca 0.11 1.63 0.01 0.00 -0.22 0.00 0.00 54.13 55.66 1pjz s LEU 136 Cb -0.19 -3.69 0.13 0.00 0.50 0.00 0.00 46.19 42.95 1pjz s LEU 136 CO -0.19 0.03 0.20 -0.63 -1.32 0.00 0.00 176.35 174.44 1pjz s ILE 137 N -1.47 1.07 0.57 6.68 -1.09 0.76 -0.91 121.20 126.80 1pjz s ILE 137 Ca 0.44 -2.12 0.06 0.00 -2.23 0.00 0.00 60.65 56.80 1pjz s ILE 137 Cb -0.19 -1.76 0.10 0.00 -1.58 0.00 0.00 42.46 39.03 1pjz s ILE 137 CO 0.23 -0.85 0.79 0.35 -1.23 0.00 0.00 174.94 174.23 1pjz n THR 138 N 3.96 0.00 -3.99 2.92 -2.24 0.22 -1.54 114.28 113.61 1pjz n THR 138 Ca 0.06 -1.68 -0.10 0.00 -2.27 0.00 0.00 64.05 60.07 1pjz n THR 138 Cb 0.37 -0.66 -0.08 0.00 -2.10 0.00 0.00 70.33 67.86 1pjz n THR 138 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1pjz s LEU 139 N 0.00 1.14 0.00 3.22 1.02 -1.26 0.23 118.68 123.02 1pjz s LEU 139 Ca 0.57 -0.93 0.00 0.00 0.02 0.00 0.00 54.13 53.79 1pjz s LEU 139 Cb -0.04 1.01 0.00 0.00 0.02 0.00 0.00 46.19 47.18 1pjz s LEU 139 CO 0.37 -0.86 0.00 1.21 0.02 0.00 0.00 176.35 177.09 1pjz n GLU 140 N -0.19 0.00 -0.04 1.70 0.00 -0.55 -3.76 120.64 117.79 1pjz n GLU 140 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.08 1pjz n GLU 140 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 32.06 1pjz n GLU 140 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1pjz n TYR 141 N -1.10 -0.04 -0.71 4.31 4.19 -1.25 -4.43 117.16 118.13 1pjz n TYR 141 Ca 0.00 0.12 -0.24 0.00 3.31 0.00 0.00 57.90 61.09 1pjz n TYR 141 Cb 0.00 -0.27 -0.01 0.00 0.49 0.00 0.00 39.34 39.55 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 -2.99 -0.96 0.00 2.98 5.68 -1.26 -4.67 116.55 115.33 1pjz n ASP 142 Ca 0.00 0.53 0.00 0.00 -0.50 0.00 0.00 54.79 54.82 1pjz n ASP 142 Cb 0.03 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.52 1pjz n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pjz n GLN 143 N 0.59 0.00 -2.66 0.11 10.64 -1.26 -4.37 117.38 120.42 1pjz n GLN 143 Ca 0.08 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 55.04 1pjz n GLN 143 Cb 0.16 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.54 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 4.27 0.00 2.61 0.00 -1.26 -4.62 120.51 121.51 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 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.26 0.00 -4.59 0.00 -0.00 -1.26 -5.11 117.00 105.78 1pjz n LEU 145 Ca 0.28 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.87 1pjz n LEU 145 Cb 0.66 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.03 1pjz n LEU 145 CO 0.30 0.00 0.51 -0.22 -0.00 0.00 0.00 177.39 177.99 1pjz s LEU 146 N 0.00 4.14 -0.87 1.47 2.96 -1.26 -4.58 118.68 120.54 1pjz s LEU 146 Ca 0.00 0.43 -0.33 0.00 -0.22 0.00 0.00 54.13 54.01 1pjz s LEU 146 Cb 0.00 -2.96 -0.21 0.00 0.50 0.00 0.00 46.19 43.52 1pjz s LEU 146 CO 0.00 -0.63 2.51 -0.62 -1.32 0.00 0.00 176.35 176.29 1pjz n GLU 147 N 6.19 0.00 0.00 1.98 -0.58 -1.26 -4.19 120.64 122.79 1pjz n GLU 147 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1pjz n GLU 147 Cb 0.48 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 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 6.52 -0.12 3.61 0.62 0.00 -1.26 -4.93 105.19 109.62 1pjz n GLY 148 Ca 0.62 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.86 3.70 0.06 1.61 0.04 -1.26 -4.74 135.00 129.56 1pjz s PRO 149 Ca 0.00 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 1pjz s PRO 149 Cb 0.00 -3.98 -0.05 0.00 0.04 0.00 0.00 34.50 30.51 1pjz s PRO 149 CO 0.00 -1.40 1.16 -1.25 0.04 0.00 0.00 177.00 175.55 1pjz s PRO 150 N 4.67 4.46 -0.04 0.56 0.04 -1.26 -4.63 135.00 138.80 1pjz s PRO 150 Ca 0.60 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.39 1pjz s PRO 150 Cb -0.15 -3.36 0.15 0.00 0.04 0.00 0.00 34.50 31.18 1pjz s PRO 150 CO 0.29 -0.21 0.80 0.34 0.04 0.00 0.00 177.00 178.26 1pjz n PHE 151 N 3.82 0.35 -3.96 0.56 -0.00 0.21 -4.87 117.46 113.57 1pjz n PHE 151 Ca 0.08 -0.12 -0.28 0.00 -0.00 0.00 0.00 57.45 57.13 1pjz n PHE 151 Cb 0.47 -0.14 -0.05 0.00 -0.00 0.00 0.00 39.48 39.75 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 0.07 -0.26 -3.41 -2.13 3.41 -1.25 -4.53 113.62 105.52 1pjz n SER 152 Ca 0.05 -1.02 -0.48 0.00 -0.26 0.00 0.00 58.87 57.16 1pjz n SER 152 Cb 0.37 -1.26 -0.07 0.00 -0.26 0.00 0.00 64.21 62.99 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 -3.94 0.00 -2.40 -3.33 3.14 -1.26 -4.77 118.33 105.77 1pjz n VAL 153 Ca -0.22 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.74 1pjz n VAL 153 Cb 0.53 -0.29 -0.02 0.00 -1.06 0.00 0.00 33.84 32.99 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 1.75 4.09 0.35 1.45 0.04 -1.26 -4.89 135.00 136.53 1pjz s PRO 154 Ca 0.74 1.53 0.14 0.00 0.04 0.00 0.00 61.00 63.45 1pjz s PRO 154 Cb -1.06 -3.83 1.13 0.00 0.04 0.00 0.00 34.50 30.79 1pjz s PRO 154 CO 0.56 -0.89 1.58 1.96 0.04 0.00 0.00 177.00 180.25 1pjz h GLN 155 N 8.76 0.02 -0.87 4.56 7.50 -1.98 2.46 115.11 135.56 1pjz h GLN 155 Ca -0.27 -0.00 0.19 0.00 0.50 0.00 0.00 58.65 59.07 1pjz h GLN 155 Cb 1.11 -0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.57 1pjz h GLN 155 CO 0.99 0.01 0.57 0.00 -1.50 0.00 0.00 178.83 178.91 1pjz h THR 156 N 0.02 0.72 0.78 -0.54 1.03 -1.97 0.36 112.91 113.30 1pjz h THR 156 Ca 0.76 -0.15 -0.04 0.00 -0.01 0.00 0.00 66.41 66.97 1pjz h THR 156 Cb 1.86 0.24 0.01 0.00 -1.07 0.00 0.00 68.15 69.20 1pjz h THR 156 CO -0.82 0.08 -0.38 -0.25 -0.01 0.00 0.00 175.52 174.15 1pjz h TRP 157 N 0.43 -0.97 -0.99 0.00 7.01 0.39 0.48 115.95 122.29 1pjz h TRP 157 Ca 0.45 -0.02 0.22 0.00 2.11 0.00 0.00 58.89 61.65 1pjz h TRP 157 Cb 1.06 0.32 -0.12 0.00 -2.10 0.00 0.00 29.16 28.32 1pjz h TRP 157 CO -0.00 -0.59 0.59 -0.07 -2.79 0.00 0.00 178.44 175.57 1pjz h LEU 158 N -1.17 0.69 -1.04 0.65 3.38 -1.07 1.88 115.31 118.64 1pjz h LEU 158 Ca -0.11 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1pjz h LEU 158 Cb 0.82 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1pjz h LEU 158 CO 0.18 0.15 -0.19 -0.74 0.09 0.00 0.00 178.44 177.93 1pjz h HIS 159 N 0.63 0.00 0.09 1.13 2.76 -0.58 1.52 115.15 120.71 1pjz h HIS 159 Ca 0.62 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 58.51 1pjz h HIS 159 Cb 1.10 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 1pjz h HIS 159 CO -0.01 0.19 -1.31 0.07 -1.30 0.00 0.00 177.93 175.56 1pjz h ARG 160 N 0.00 0.20 0.00 5.26 0.11 0.75 -3.33 114.38 117.37 1pjz h ARG 160 Ca -0.00 -0.34 0.00 0.00 0.10 0.00 0.00 59.98 59.74 1pjz h ARG 160 Cb 0.76 0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.97 1pjz h ARG 160 CO 0.03 1.10 0.00 1.55 0.10 0.00 0.00 179.97 182.75 1pjz n VAL 161 N -3.44 0.00 -0.63 0.08 3.14 0.22 -4.67 118.33 113.03 1pjz n VAL 161 Ca -0.10 0.11 0.48 0.00 -2.96 0.00 0.00 64.34 61.87 1pjz n VAL 161 Cb 1.02 -1.04 0.74 0.00 -1.06 0.00 0.00 33.84 33.50 1pjz n VAL 161 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1pjz n MET 162 N -2.21 -0.01 -1.52 1.45 1.56 0.45 -4.03 117.12 112.82 1pjz n MET 162 Ca 0.00 1.03 -0.15 0.00 -0.27 0.00 0.00 57.70 58.31 1pjz n MET 162 Cb 0.00 -2.32 -0.11 0.00 2.15 0.00 0.00 33.22 32.94 1pjz n MET 162 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1pjz n SER 163 N -3.91 0.72 0.00 6.12 2.88 0.26 -4.42 113.62 115.28 1pjz n SER 163 Ca 0.41 -1.38 0.00 0.00 -1.33 0.00 0.00 58.87 56.57 1pjz n SER 163 Cb 1.82 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 6.27 0.60 0.74 0.46 0.00 -1.26 -4.96 105.19 107.06 1pjz n GLY 164 Ca 0.49 0.57 0.00 0.00 0.00 0.00 0.00 46.02 47.08 1pjz n GLY 164 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pjz n ASN 165 N 0.00 0.00 -3.74 1.61 2.85 -1.26 -4.98 115.26 109.74 1pjz n ASN 165 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1pjz n ASN 165 Cb 0.00 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.89 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1pjz s TRP 166 N -2.60 -0.31 -0.85 1.20 -2.14 -1.26 0.34 118.94 113.31 1pjz s TRP 166 Ca 0.00 0.75 -0.18 0.00 2.66 0.00 0.00 56.10 59.33 1pjz s TRP 166 Cb 0.00 0.04 0.14 0.00 -3.10 0.00 0.00 33.47 30.55 1pjz s TRP 166 CO 0.00 -0.22 1.00 -1.21 -2.66 0.00 0.00 176.95 173.86 1pjz s GLU 167 N 1.15 3.51 0.19 3.25 2.02 -0.49 -4.52 118.70 123.80 1pjz s GLU 167 Ca -0.08 -1.79 -0.30 0.00 0.02 0.00 0.00 54.97 52.82 1pjz s GLU 167 Cb -0.10 -4.70 -0.09 0.00 0.10 0.00 0.00 34.13 29.34 1pjz s GLU 167 CO -0.08 -1.66 1.37 0.14 0.02 0.00 0.00 175.26 175.06 1pjz s VAL 168 N 2.29 3.07 -0.20 2.63 -7.23 -1.26 -0.93 120.40 118.76 1pjz s VAL 168 Ca 0.27 0.85 0.01 0.00 -1.81 0.00 0.00 61.98 61.29 1pjz s VAL 168 Cb -0.09 -3.54 0.05 0.00 0.56 0.00 0.00 36.38 33.36 1pjz s VAL 168 CO -0.06 0.11 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.87 1pjz s THR 169 N 0.37 1.49 0.24 5.32 2.01 0.16 -4.85 115.64 120.38 1pjz s THR 169 Ca 0.60 -1.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.33 1pjz s THR 169 Cb -0.38 -1.65 -0.16 0.00 0.01 0.00 0.00 72.50 70.32 1pjz s THR 169 CO 0.37 0.07 0.57 2.29 -0.69 0.00 0.00 174.62 177.23 1pjz n LYS 170 N 4.72 0.25 -3.72 4.92 2.85 -1.26 -0.22 118.16 125.70 1pjz n LYS 170 Ca -0.13 0.09 -0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1pjz n LYS 170 Cb 0.46 -1.17 -0.00 0.00 -0.65 0.00 0.00 35.03 33.67 1pjz n LYS 170 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1pjz s VAL 171 N -1.09 0.00 0.00 0.58 0.11 0.11 -4.71 120.40 115.41 1pjz s VAL 171 Ca 0.63 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 1pjz s VAL 171 Cb -0.85 -2.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 1pjz s VAL 171 CO 0.57 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.95 1pjz n GLY 172 N -0.55 -0.30 1.28 6.54 0.00 -1.25 0.65 105.19 111.56 1pjz n GLY 172 Ca -0.06 -2.23 -0.01 0.00 0.00 0.00 0.00 46.02 43.72 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 1.15 3.59 -0.02 0.00 -0.37 -4.86 105.19 104.68 1pjz n GLY 173 Ca 0.00 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.02 2.13 -0.72 1.61 -2.07 -1.26 -1.05 119.66 116.27 1pjz s GLN 174 Ca 0.07 -1.24 0.00 0.00 -1.82 0.00 0.00 55.36 52.37 1pjz s GLN 174 Cb -0.01 -2.20 0.00 0.00 -1.09 0.00 0.00 33.01 29.71 1pjz s GLN 174 CO 0.02 0.44 0.00 -0.25 -1.32 0.00 0.00 175.29 174.18 1pjz n ASP 175 N 0.00 -4.20 -3.71 12.60 8.00 -1.19 -4.86 116.55 123.19 1pjz n ASP 175 Ca -0.10 0.17 -0.30 0.00 0.71 0.00 0.00 54.79 55.26 1pjz n ASP 175 Cb 0.55 -2.30 -0.08 0.00 -0.02 0.00 0.00 41.12 39.27 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 -2.67 2.53 0.09 -3.53 5.66 -0.85 -4.11 114.28 111.38 1pjz n THR 176 Ca -0.07 -5.18 -0.17 0.00 -3.05 0.00 0.00 64.05 55.59 1pjz n THR 176 Cb 0.29 -2.16 -0.14 0.00 -1.55 0.00 0.00 70.33 66.76 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 4.89 0.44 -0.70 1.09 7.12 -1.83 -3.31 115.31 123.01 1pjz h LEU 177 Ca 0.18 -0.53 0.15 0.00 0.13 0.00 0.00 57.88 57.81 1pjz h LEU 177 Cb 0.70 -0.14 -0.10 0.00 -0.53 0.00 0.00 40.66 40.59 1pjz h LEU 177 CO 0.85 1.43 0.16 0.45 -0.13 0.00 0.00 178.44 181.20 1pjz h HIS 178 N 0.08 0.25 -0.59 1.25 3.86 -1.90 -1.61 115.15 116.49 1pjz h HIS 178 Ca -0.20 0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1pjz h HIS 178 Cb 2.01 -0.00 -0.08 0.00 1.06 0.00 0.00 27.41 30.39 1pjz h HIS 178 CO 0.07 -0.07 -0.28 0.43 0.86 0.00 0.00 177.93 178.94 1pjz n SER 179 N -5.15 -0.49 -4.86 2.45 7.64 -1.25 -4.16 113.62 107.81 1pjz n SER 179 Ca 0.13 1.03 -0.32 0.00 1.01 0.00 0.00 58.87 60.72 1pjz n SER 179 Cb 0.42 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 63.38 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 -5.25 6.69 -0.11 6.43 0.15 -0.61 -2.35 113.70 118.65 1pjz s SER 180 Ca -0.08 1.27 -0.04 0.00 0.70 0.00 0.00 55.95 57.80 1pjz s SER 180 Cb 0.09 -2.37 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1pjz s SER 180 CO 0.39 -0.30 -0.08 0.00 1.20 0.00 0.00 173.24 174.45 1pjz h ALA 181 N 1.82 0.00 -1.27 5.45 0.00 -1.82 -3.33 119.26 120.12 1pjz h ALA 181 Ca -0.48 -0.25 0.46 0.00 0.00 0.00 0.00 54.91 54.64 1pjz h ALA 181 Cb 1.18 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 19.06 1pjz h ALA 181 CO 0.64 0.24 0.79 0.54 0.00 0.00 0.00 179.25 181.47 1pjz n ARG 182 N -4.58 -0.04 0.28 0.00 5.12 -1.26 0.71 116.66 116.89 1pjz n ARG 182 Ca -0.03 1.25 -0.16 0.00 -1.93 0.00 0.00 57.85 56.97 1pjz n ARG 182 Cb 0.12 -2.42 -0.08 0.00 -1.16 0.00 0.00 32.46 28.92 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 -0.84 1.39 -0.13 0.00 -1.84 0.25 103.07 101.91 1pjz h GLY 183 Ca 0.85 0.36 0.06 0.00 0.00 0.00 0.00 47.33 48.61 1pjz h GLY 183 CO -0.52 -0.31 0.26 1.41 0.00 0.00 0.00 176.54 177.39 1pjz h LEU 184 N -0.78 0.22 -0.87 3.11 3.38 0.18 2.05 115.31 122.61 1pjz h LEU 184 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1pjz h LEU 184 Cb 0.65 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1pjz h LEU 184 CO 0.04 0.14 -0.53 0.50 0.09 0.00 0.00 178.44 178.69 1pjz h LYS 185 N 0.25 0.10 0.15 1.13 3.64 -0.35 -3.12 116.57 118.37 1pjz h LYS 185 Ca 0.17 -0.06 -0.35 0.00 -1.27 0.00 0.00 60.65 59.14 1pjz h LYS 185 Cb 0.36 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1pjz h LYS 185 CO -0.03 0.60 -1.81 0.00 -2.27 0.00 0.00 179.45 175.94 1pjz h ALA 186 N 1.39 0.28 0.00 5.00 0.00 0.30 -3.50 119.26 122.73 1pjz h ALA 186 Ca -0.00 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1pjz h ALA 186 Cb 0.96 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1pjz h ALA 186 CO 0.07 1.15 0.00 0.41 0.00 0.00 0.00 179.25 180.88 1pjz n GLY 187 N 1.87 0.83 0.06 0.00 0.00 0.66 -4.76 105.19 103.85 1pjz n GLY 187 Ca -0.26 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.10 1pjz n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pjz n LEU 188 N 0.00 0.64 -3.06 0.99 7.99 -1.08 -4.90 117.00 117.59 1pjz n LEU 188 Ca 0.00 0.11 -0.13 0.00 -0.01 0.00 0.00 56.01 55.98 1pjz n LEU 188 Cb 0.00 -0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.21 1pjz n LEU 188 CO 0.00 -0.03 -0.13 -1.84 -1.51 0.00 0.00 177.39 173.88 1pjz n GLU 189 N -2.16 -0.78 -2.01 3.23 0.28 -1.26 -3.78 120.64 114.16 1pjz n GLU 189 Ca 0.01 0.40 -0.03 0.00 -0.16 0.00 0.00 57.16 57.38 1pjz n GLU 189 Cb 0.47 -1.08 -0.02 0.00 1.43 0.00 0.00 31.44 32.24 1pjz n GLU 189 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1pjz n ARG 190 N -1.42 -2.17 -3.81 3.44 3.00 -1.26 -4.95 116.66 109.48 1pjz n ARG 190 Ca -0.15 1.90 -0.11 0.00 -0.01 0.00 0.00 57.85 59.48 1pjz n ARG 190 Cb 0.34 -2.92 -0.08 0.00 0.00 0.00 0.00 32.46 29.81 1pjz n ARG 190 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1pjz s MET 191 N -0.85 0.76 -0.33 5.56 -1.94 -1.25 -4.72 119.30 116.53 1pjz s MET 191 Ca -0.14 -0.63 -0.38 0.00 -1.71 0.00 0.00 55.69 52.84 1pjz s MET 191 Cb 0.01 0.32 -0.14 0.00 2.01 0.00 0.00 34.83 37.03 1pjz s MET 191 CO 0.38 -0.23 2.01 -3.47 -0.01 0.00 0.00 175.02 173.70 1pjz n ASP 192 N 0.55 2.13 -4.10 3.03 -0.08 -1.26 -2.02 116.55 114.81 1pjz n ASP 192 Ca -0.18 0.70 -0.32 0.00 -1.51 0.00 0.00 54.79 53.48 1pjz n ASP 192 Cb 0.60 -1.18 -0.16 0.00 2.34 0.00 0.00 41.12 42.71 1pjz n ASP 192 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1pjz s GLU 193 N 5.16 2.74 0.20 -0.67 2.12 -0.22 -1.49 118.70 126.54 1pjz s GLU 193 Ca 1.06 -0.74 -0.07 0.00 0.36 0.00 0.00 54.97 55.58 1pjz s GLU 193 Cb -1.00 -2.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.97 1pjz s GLU 193 CO 0.57 -0.16 0.47 -1.01 -0.54 0.00 0.00 175.26 174.59 1pjz s HIS 194 N 1.21 3.45 0.02 5.30 3.76 0.13 -1.24 115.29 127.93 1pjz s HIS 194 Ca 0.01 0.71 -0.02 0.00 -0.15 0.00 0.00 55.06 55.61 1pjz s HIS 194 Cb -0.14 -2.13 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 1pjz s HIS 194 CO -0.09 0.34 0.01 0.08 -0.85 0.00 0.00 174.74 174.23 1pjz s VAL 195 N -1.77 0.12 -0.11 -0.90 1.01 0.21 0.72 120.40 119.68 1pjz s VAL 195 Ca 0.44 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1pjz s VAL 195 Cb -0.12 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.80 1pjz s VAL 195 CO 0.23 -0.55 0.24 -0.47 0.00 0.00 0.00 175.10 174.55 1pjz s TYR 196 N -1.89 -0.35 -0.76 5.22 6.14 -0.09 0.08 117.35 125.70 1pjz s TYR 196 Ca -0.12 0.84 -0.16 0.00 0.64 0.00 0.00 57.07 58.27 1pjz s TYR 196 Cb -0.06 -0.01 0.17 0.00 0.42 0.00 0.00 41.96 42.47 1pjz s TYR 196 CO -0.02 -0.28 0.78 0.08 0.64 0.00 0.00 175.55 176.75 1pjz s VAL 197 N 1.81 5.26 -0.43 3.14 1.01 0.69 -0.02 120.40 131.85 1pjz s VAL 197 Ca -0.04 -1.91 -0.17 0.00 0.00 0.00 0.00 61.98 59.86 1pjz s VAL 197 Cb -0.11 -4.51 0.03 0.00 0.00 0.00 0.00 36.38 31.78 1pjz s VAL 197 CO -0.08 -1.11 0.45 -1.48 0.00 0.00 0.00 175.10 172.88 1pjz s LEU 198 N 1.27 4.88 -0.76 3.92 2.34 0.12 0.36 118.68 130.82 1pjz s LEU 198 Ca 0.17 -0.70 -0.27 0.00 0.06 0.00 0.00 54.13 53.40 1pjz s LEU 198 Cb -0.15 -2.40 0.03 0.00 -0.56 0.00 0.00 46.19 43.11 1pjz s LEU 198 CO -0.05 -0.61 1.34 -1.61 -1.06 0.00 0.00 176.35 174.37 1pjz s GLU 199 N 2.17 3.18 -0.56 1.48 2.02 -0.11 0.82 118.70 127.70 1pjz s GLU 199 Ca 0.12 -0.27 -0.26 0.00 0.02 0.00 0.00 54.97 54.58 1pjz s GLU 199 Cb -0.17 -4.32 -0.06 0.00 0.10 0.00 0.00 34.13 29.68 1pjz s GLU 199 CO 0.14 -2.21 2.25 0.50 0.02 0.00 0.00 175.26 175.96 1pjz s ARG 200 N 5.77 2.20 0.00 1.61 3.52 0.16 -1.40 118.95 130.81 1pjz s ARG 200 Ca 0.39 1.07 0.27 0.00 -0.13 0.00 0.00 55.73 57.32 1pjz s ARG 200 Cb -0.08 -4.57 0.80 0.00 -1.56 0.00 0.00 34.95 29.54 1pjz s ARG 200 CO 0.13 -3.25 1.60 1.33 -0.81 0.00 0.00 175.30 174.30