#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjz n GLN 2 N 0.00 3.98 0.00 -0.41 6.02 -1.26 -3.93 117.38 121.78 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 0.43 -1.01 0.00 0.00 177.06 176.48 1pjz n SER 3 N 0.00 0.00 -3.42 1.08 7.64 -1.26 -4.24 113.62 113.42 1pjz n SER 3 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 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 0.73 -0.53 1.43 -1.05 -1.26 -5.03 118.70 112.99 1pjz s GLU 4 Ca 0.00 -1.72 0.05 0.00 -0.15 0.00 0.00 54.97 53.14 1pjz s GLU 4 Cb 0.00 -1.34 0.18 0.00 -0.44 0.00 0.00 34.13 32.53 1pjz s GLU 4 CO 0.00 -1.30 0.44 1.55 0.95 0.00 0.00 175.26 176.90 1pjz n VAL 5 N 3.42 0.10 -2.58 1.83 3.14 -1.26 -4.76 118.33 118.22 1pjz n VAL 5 Ca 0.21 -4.12 0.00 0.00 -2.96 0.00 0.00 64.34 57.47 1pjz n VAL 5 Cb 0.43 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.31 1pjz n VAL 5 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1pjz n ASN 6 N 2.24 -5.38 -0.37 6.55 3.02 -1.25 -3.49 115.26 116.58 1pjz n ASN 6 Ca 0.26 0.41 0.29 0.00 -0.03 0.00 0.00 54.58 55.50 1pjz n ASN 6 Cb 0.43 -1.24 0.55 0.00 -0.61 0.00 0.00 39.78 38.91 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 3.35 0.23 0.34 3.52 5.09 -1.92 0.51 116.57 127.69 1pjz h LYS 7 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 60.65 60.71 1pjz h LYS 7 Cb 0.62 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 32.90 1pjz h LYS 7 CO 0.00 0.15 -0.16 -0.44 -2.09 0.00 0.00 179.45 176.91 1pjz h ASP 8 N 0.23 -0.39 -0.14 7.07 3.32 -1.97 0.45 116.42 125.00 1pjz h ASP 8 Ca 0.75 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.68 1pjz h ASP 8 Cb 1.98 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 41.60 1pjz h ASP 8 CO -0.51 -0.06 -0.24 0.25 -1.72 0.00 0.00 179.24 176.96 1pjz h LEU 9 N -0.75 -0.79 -1.50 1.55 7.12 -0.28 1.49 115.31 122.14 1pjz h LEU 9 Ca -0.05 0.10 0.10 0.00 0.13 0.00 0.00 57.88 58.16 1pjz h LEU 9 Cb 0.51 0.32 -0.04 0.00 -0.53 0.00 0.00 40.66 40.91 1pjz h LEU 9 CO 0.08 -0.19 0.46 0.06 -0.13 0.00 0.00 178.44 178.72 1pjz h GLN 10 N -0.20 0.54 0.00 1.25 3.07 -1.12 0.29 115.11 118.95 1pjz h GLN 10 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1pjz h GLN 10 Cb 0.27 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.71 1pjz h GLN 10 CO -0.24 0.36 0.00 0.94 0.09 0.00 0.00 178.83 179.98 1pjz n GLN 11 N -4.49 0.00 -0.27 0.06 7.27 0.16 -0.89 117.38 119.22 1pjz n GLN 11 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.14 1pjz n GLN 11 Cb 0.35 -0.72 0.01 0.00 2.41 0.00 0.00 30.24 32.29 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 -1.06 -0.06 3.69 0.05 0.19 0.89 116.97 120.67 1pjz h TYR 12 Ca 0.00 0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.89 1pjz h TYR 12 Cb 0.00 0.57 -0.06 0.00 1.01 0.00 0.00 36.73 38.25 1pjz h TYR 12 CO 0.00 -0.40 -0.50 2.35 -1.05 0.00 0.00 178.16 178.56 1pjz h TRP 13 N -0.12 -1.46 -1.13 4.88 2.91 -0.50 2.24 115.95 122.76 1pjz h TRP 13 Ca 0.26 0.05 0.37 0.00 1.13 0.00 0.00 58.89 60.69 1pjz h TRP 13 Cb 0.56 0.65 -0.13 0.00 -0.51 0.00 0.00 29.16 29.73 1pjz h TRP 13 CO -0.73 -0.54 0.69 1.03 -1.03 0.00 0.00 178.44 177.86 1pjz h SER 14 N -0.61 0.38 0.06 2.65 0.87 0.10 0.37 113.55 117.38 1pjz h SER 14 Ca 0.03 0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.66 1pjz h SER 14 Cb 0.69 0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1pjz h SER 14 CO -0.38 -0.14 -0.39 0.28 -0.53 0.00 0.00 176.83 175.66 1pjz h SER 15 N 0.21 0.23 -0.93 6.23 0.02 0.16 -3.31 113.55 116.16 1pjz h SER 15 Ca 0.76 -0.96 0.20 0.00 -0.84 0.00 0.00 61.79 60.94 1pjz h SER 15 Cb 2.05 -0.08 -0.18 0.00 0.14 0.00 0.00 62.40 64.34 1pjz h SER 15 CO -0.50 1.18 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.11 1pjz h LEU 16 N -0.67 -0.81 -2.80 5.07 -0.00 0.76 -3.45 115.31 113.41 1pjz h LEU 16 Ca -0.07 0.28 -0.32 0.00 -0.00 0.00 0.00 57.88 57.77 1pjz h LEU 16 Cb 1.30 0.56 0.14 0.00 -0.00 0.00 0.00 40.66 42.66 1pjz h LEU 16 CO 0.07 -0.31 -0.86 -3.20 -0.00 0.00 0.00 178.44 174.14 1pjz n ASN 17 N -5.57 -6.12 -4.84 -0.43 5.15 -0.29 -4.95 115.26 98.21 1pjz n ASN 17 Ca 0.15 -0.82 -0.32 0.00 -0.60 0.00 0.00 54.58 52.99 1pjz n ASN 17 Cb 0.50 -4.38 -0.04 0.00 -0.53 0.00 0.00 39.78 35.33 1pjz n ASN 17 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1pjz s VAL 18 N -3.40 4.49 0.19 3.44 0.11 -1.26 -4.94 120.40 119.03 1pjz s VAL 18 Ca 0.45 1.28 -0.17 0.00 -2.93 0.00 0.00 61.98 60.61 1pjz s VAL 18 Cb -0.11 -3.69 -0.11 0.00 -1.53 0.00 0.00 36.38 30.95 1pjz s VAL 18 CO 0.80 -0.60 0.23 0.55 -3.33 0.00 0.00 175.10 172.74 1pjz n VAL 19 N -1.35 0.96 -2.34 2.04 3.14 -1.26 -4.72 118.33 114.79 1pjz n VAL 19 Ca 0.07 -0.34 -0.43 0.00 -2.96 0.00 0.00 64.34 60.68 1pjz n VAL 19 Cb 0.54 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.30 1pjz n VAL 19 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1pjz s PRO 20 N -0.68 3.49 0.00 1.45 0.04 -1.26 -2.17 135.00 135.87 1pjz s PRO 20 Ca 0.42 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1pjz s PRO 20 Cb -0.54 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1pjz s PRO 20 CO 0.40 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1pjz n GLY 21 N 5.15 0.72 2.87 0.56 0.00 -1.12 -5.02 105.19 108.34 1pjz n GLY 21 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1pjz n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz n ALA 22 N -1.06 -4.51 -2.65 4.61 0.00 -0.92 -2.87 120.51 113.09 1pjz n ALA 22 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 1pjz n ALA 22 Cb 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.55 4.24 -0.35 0.00 1.81 -0.76 -1.53 118.95 120.80 1pjz s ARG 23 Ca 0.42 1.07 -0.09 0.00 -1.72 0.00 0.00 55.73 55.42 1pjz s ARG 23 Cb -0.27 -3.62 0.03 0.00 -0.45 0.00 0.00 34.95 30.64 1pjz s ARG 23 CO 0.72 -0.49 0.15 0.08 -0.68 0.00 0.00 175.30 175.08 1pjz s VAL 24 N 2.72 4.22 -0.01 3.52 1.01 0.78 -1.65 120.40 130.99 1pjz s VAL 24 Ca 0.38 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1pjz s VAL 24 Cb -0.16 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1pjz s VAL 24 CO 0.09 -0.17 0.33 -0.22 0.00 0.00 0.00 175.10 175.13 1pjz s LEU 25 N 1.49 4.42 -0.24 3.92 1.98 -0.48 0.09 118.68 129.87 1pjz s LEU 25 Ca 0.01 0.78 -0.04 0.00 -2.89 0.00 0.00 54.13 51.98 1pjz s LEU 25 Cb -0.19 -2.56 0.08 0.00 0.66 0.00 0.00 46.19 44.19 1pjz s LEU 25 CO 0.05 0.31 0.11 0.68 -1.89 0.00 0.00 176.35 175.61 1pjz s VAL 26 N -1.15 -0.08 0.27 1.68 -7.23 0.15 0.60 120.40 114.64 1pjz s VAL 26 Ca 0.24 -0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 59.62 1pjz s VAL 26 Cb -0.15 -0.80 -0.09 0.00 0.56 0.00 0.00 36.38 35.90 1pjz s VAL 26 CO 0.13 -0.53 1.08 -2.16 -0.31 0.00 0.00 175.10 173.31 1pjz s PRO 27 N 2.12 4.66 -0.50 4.82 0.04 -1.24 -1.15 135.00 143.75 1pjz s PRO 27 Ca 0.06 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1pjz s PRO 27 Cb -0.16 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.19 1pjz s PRO 27 CO -0.24 0.24 0.02 1.47 0.04 0.00 0.00 177.00 178.53 1pjz n LEU 28 N 1.27 -0.30 -0.05 -3.56 -0.00 -0.46 -4.34 117.00 109.56 1pjz n LEU 28 Ca -0.01 -0.40 -0.06 0.00 -0.00 0.00 0.00 56.01 55.54 1pjz n LEU 28 Cb 0.45 -0.50 -0.08 0.00 -0.00 0.00 0.00 43.42 43.29 1pjz n LEU 28 CO 0.54 0.14 -0.86 0.00 -0.00 0.00 0.00 177.39 177.20 1pjz n GLY 30 N 2.42 2.33 3.20 0.00 0.00 -1.08 -4.64 105.19 107.42 1pjz n GLY 30 Ca -0.18 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 0.90 0.02 1.61 2.20 -1.26 -4.89 119.74 118.31 1pjz s LYS 31 Ca 0.00 -1.03 -0.17 0.00 -0.36 0.00 0.00 55.97 54.40 1pjz s LYS 31 Cb 0.00 -0.92 0.06 0.00 -1.51 0.00 0.00 37.83 35.46 1pjz s LYS 31 CO 0.00 0.20 0.79 0.45 -0.36 0.00 0.00 175.35 176.43 1pjz n SER 32 N 1.12 -0.87 -0.17 1.43 2.88 -1.26 -5.00 113.62 111.75 1pjz n SER 32 Ca -0.20 -1.27 -0.07 0.00 -1.33 0.00 0.00 58.87 56.00 1pjz n SER 32 Cb 0.54 1.37 0.02 0.00 -0.75 0.00 0.00 64.21 65.39 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 0.65 -0.03 -1.46 1.08 -1.89 -1.37 115.11 112.09 1pjz h GLN 33 Ca -0.15 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1pjz h GLN 33 Cb 0.77 -0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 27.99 1pjz h GLN 33 CO 0.21 0.43 -0.45 -0.44 -0.95 0.00 0.00 178.83 177.63 1pjz h ASP 34 N 0.67 -1.38 -0.24 1.46 3.32 -1.87 0.44 116.42 118.82 1pjz h ASP 34 Ca 0.18 0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.46 1pjz h ASP 34 Cb -0.08 0.54 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 1pjz h ASP 34 CO -0.04 -0.47 -0.20 0.24 -1.72 0.00 0.00 179.24 177.05 1pjz h MET 35 N -0.58 -0.20 -0.09 3.56 2.86 -1.89 0.38 114.93 118.98 1pjz h MET 35 Ca 0.05 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1pjz h MET 35 Cb 0.67 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 1pjz h MET 35 CO -0.35 -0.13 0.11 0.77 1.06 0.00 0.00 176.91 178.37 1pjz h SER 36 N -0.20 0.00 0.75 1.22 0.02 -0.53 0.45 113.55 115.25 1pjz h SER 36 Ca 0.14 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.86 1pjz h SER 36 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1pjz h SER 36 CO -0.36 0.00 -1.05 -0.25 -1.14 0.00 0.00 176.83 174.03 1pjz h TRP 37 N 0.00 0.26 0.31 3.45 7.01 0.37 0.08 115.95 127.43 1pjz h TRP 37 Ca 0.04 -0.17 -0.02 0.00 2.11 0.00 0.00 58.89 60.85 1pjz h TRP 37 Cb 0.26 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 1pjz h TRP 37 CO 0.00 1.09 -0.15 -0.07 -2.79 0.00 0.00 178.44 176.52 1pjz h LEU 38 N 0.06 -0.36 -0.71 0.65 -0.00 0.28 -2.18 115.31 113.05 1pjz h LEU 38 Ca -0.06 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 57.65 1pjz h LEU 38 Cb 1.76 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 42.48 1pjz h LEU 38 CO 0.16 0.11 0.41 0.77 -0.00 0.00 0.00 178.44 179.88 1pjz h SER 39 N -0.97 0.86 -0.09 -0.43 4.64 -0.89 -0.09 113.55 116.59 1pjz h SER 39 Ca -0.04 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1pjz h SER 39 Cb 0.50 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1pjz h SER 39 CO 0.07 0.69 0.08 1.23 -0.87 0.00 0.00 176.83 178.03 1pjz h GLY 40 N 0.97 0.00 1.11 -0.77 0.00 -1.03 -1.49 103.07 101.85 1pjz h GLY 40 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.25 1pjz h GLY 40 CO -0.04 0.00 -1.62 1.46 0.00 0.00 0.00 176.54 176.34 1pjz h GLN 41 N 0.00 0.40 0.00 4.80 1.08 -0.55 -3.49 115.11 117.35 1pjz h GLN 41 Ca 0.04 -0.68 0.00 0.00 -1.45 0.00 0.00 58.65 56.56 1pjz h GLN 41 Cb 0.21 0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1pjz h GLN 41 CO -0.00 1.31 0.00 0.41 -0.95 0.00 0.00 178.83 179.60 1pjz n GLY 42 N 1.77 0.74 3.47 3.46 0.00 -0.16 -5.02 105.19 109.45 1pjz n GLY 42 Ca -0.20 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.14 2.08 -1.07 1.61 1.51 -0.89 -2.78 117.35 117.66 1pjz s TYR 43 Ca 0.00 -0.75 -0.19 0.00 -1.01 0.00 0.00 57.07 55.12 1pjz s TYR 43 Cb 0.00 -1.28 0.10 0.00 -0.11 0.00 0.00 41.96 40.67 1pjz s TYR 43 CO 0.00 0.26 1.39 -1.58 -1.11 0.00 0.00 175.55 174.51 1pjz s HIS 44 N -3.01 2.94 -0.24 2.71 2.46 -0.59 -4.47 115.29 115.10 1pjz s HIS 44 Ca 0.32 -1.39 -0.29 0.00 0.47 0.00 0.00 55.06 54.18 1pjz s HIS 44 Cb 0.06 -4.51 -0.01 0.00 -0.13 0.00 0.00 32.58 27.99 1pjz s HIS 44 CO 0.14 -1.67 1.43 0.08 -2.47 0.00 0.00 174.74 172.25 1pjz s VAL 45 N 3.50 3.97 -0.04 0.89 1.01 -1.26 -0.15 120.40 128.31 1pjz s VAL 45 Ca 0.42 1.11 -0.05 0.00 0.00 0.00 0.00 61.98 63.47 1pjz s VAL 45 Cb -0.01 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1pjz s VAL 45 CO -0.05 -0.34 0.13 0.54 0.00 0.00 0.00 175.10 175.38 1pjz s VAL 46 N 4.53 0.01 -0.02 2.92 0.11 0.11 -1.12 120.40 126.94 1pjz s VAL 46 Ca 0.62 -0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 59.41 1pjz s VAL 46 Cb -0.21 -0.23 0.05 0.00 -1.53 0.00 0.00 36.38 34.46 1pjz s VAL 46 CO 0.24 -0.07 0.64 0.61 -3.33 0.00 0.00 175.10 173.19 1pjz n GLY 47 N 2.76 0.38 3.29 6.54 0.00 -0.39 0.32 105.19 118.08 1pjz n GLY 47 Ca -0.14 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.49 1.63 -0.10 4.61 0.00 -0.30 -1.34 121.76 124.78 1pjz s ALA 48 Ca 0.15 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.52 1pjz s ALA 48 Cb -0.00 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1pjz s ALA 48 CO -0.01 -0.15 -0.18 -2.00 0.00 0.00 0.00 175.76 173.42 1pjz s GLU 49 N -3.79 2.40 -1.16 0.00 -6.30 -0.18 -1.35 118.70 108.32 1pjz s GLU 49 Ca 0.22 -0.64 -0.06 0.00 -2.50 0.00 0.00 54.97 51.99 1pjz s GLU 49 Cb 0.04 -1.95 0.25 0.00 0.00 0.00 0.00 34.13 32.47 1pjz s GLU 49 CO 0.04 0.02 1.64 1.28 0.02 0.00 0.00 175.26 178.27 1pjz n LEU 50 N 3.93 6.53 -3.70 2.70 7.99 -1.21 0.32 117.00 133.57 1pjz n LEU 50 Ca -0.20 -4.99 -0.11 0.00 -0.01 0.00 0.00 56.01 50.70 1pjz n LEU 50 Cb 0.52 -1.35 -0.10 0.00 -0.11 0.00 0.00 43.42 42.37 1pjz n LEU 50 CO 0.26 1.57 0.10 -0.44 -1.51 0.00 0.00 177.39 177.36 1pjz s SER 51 N -0.73 -0.54 -0.25 -1.43 0.01 0.38 -4.98 113.70 106.17 1pjz s SER 51 Ca 0.34 0.94 -0.05 0.00 1.31 0.00 0.00 55.95 58.49 1pjz s SER 51 Cb 0.07 0.86 -0.16 0.00 0.21 0.00 0.00 66.02 66.99 1pjz s SER 51 CO 0.07 -0.19 -0.19 -0.62 0.41 0.00 0.00 173.24 172.72 1pjz n GLU 52 N 3.85 0.64 -0.11 12.44 4.71 -1.26 -3.34 120.64 137.57 1pjz n GLU 52 Ca -0.20 0.22 -0.10 0.00 -0.01 0.00 0.00 57.16 57.07 1pjz n GLU 52 Cb 0.56 -1.54 -0.02 0.00 -1.01 0.00 0.00 31.44 29.43 1pjz n GLU 52 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pjz h ALA 53 N -0.34 0.44 -0.50 0.62 0.00 -1.98 -1.37 119.26 116.13 1pjz h ALA 53 Ca -0.59 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 1pjz h ALA 53 Cb 1.79 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1pjz h ALA 53 CO -0.19 0.10 0.31 0.00 0.00 0.00 0.00 179.25 179.47 1pjz h ALA 54 N 0.93 1.60 0.35 0.00 0.00 -1.98 0.15 119.26 120.31 1pjz h ALA 54 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1pjz h ALA 54 Cb 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pjz h ALA 54 CO -0.00 0.36 -0.17 0.28 0.00 0.00 0.00 179.25 179.72 1pjz h VAL 55 N 0.69 0.66 -1.00 0.00 2.07 -1.50 0.26 116.25 117.43 1pjz h VAL 55 Ca 0.18 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1pjz h VAL 55 Cb -0.04 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1pjz h VAL 55 CO -0.04 0.05 0.66 -0.33 0.02 0.00 0.00 177.57 177.93 1pjz h GLU 56 N -0.61 1.25 -0.20 1.57 4.39 -0.77 -0.51 114.58 119.69 1pjz h GLU 56 Ca -0.05 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 1pjz h GLU 56 Cb 0.45 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1pjz h GLU 56 CO 0.08 0.83 -0.19 -0.09 -1.16 0.00 0.00 179.01 178.48 1pjz h ARG 57 N 1.29 0.35 -0.36 2.33 2.43 -0.48 -0.43 114.38 119.51 1pjz h ARG 57 Ca 0.39 -0.11 -0.16 0.00 -0.81 0.00 0.00 59.98 59.29 1pjz h ARG 57 Cb -0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1pjz h ARG 57 CO -0.11 0.53 -0.40 1.88 -1.51 0.00 0.00 179.97 180.36 1pjz h TYR 58 N 0.32 1.08 -0.07 2.20 -1.99 0.92 0.29 116.97 119.73 1pjz h TYR 58 Ca 0.06 -0.33 -0.15 0.00 2.00 0.00 0.00 58.73 60.31 1pjz h TYR 58 Cb 0.52 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 1pjz h TYR 58 CO 0.01 1.15 -0.62 0.74 -0.00 0.00 0.00 178.16 179.45 1pjz h PHE 59 N 0.73 0.32 0.11 4.88 -1.00 -0.82 -1.00 116.94 120.15 1pjz h PHE 59 Ca 0.06 -0.12 -0.23 0.00 2.81 0.00 0.00 57.97 60.48 1pjz h PHE 59 Cb 0.99 -0.06 0.02 0.00 3.61 0.00 0.00 35.95 40.52 1pjz h PHE 59 CO 0.06 0.80 -0.98 0.00 -1.61 0.00 0.00 178.31 176.58 1pjz h THR 60 N 0.18 1.39 -0.15 -1.55 1.03 -0.98 0.46 112.91 113.28 1pjz h THR 60 Ca -0.01 -2.40 -0.01 0.00 -0.01 0.00 0.00 66.41 63.98 1pjz h THR 60 Cb 1.13 2.85 -0.01 0.00 -1.07 0.00 0.00 68.15 71.05 1pjz h THR 60 CO 0.10 0.71 0.06 -0.33 -0.01 0.00 0.00 175.52 176.04 1pjz h GLU 61 N -0.02 0.23 0.01 0.00 5.08 -0.42 -3.08 114.58 116.39 1pjz h GLU 61 Ca -0.15 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 57.92 1pjz h GLU 61 Cb 1.71 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.93 1pjz h GLU 61 CO 0.19 0.33 -1.01 0.00 -1.00 0.00 0.00 179.01 177.51 1pjz h ARG 62 N 0.08 0.52 -0.19 2.33 -0.00 -1.28 -3.48 114.38 112.36 1pjz h ARG 62 Ca 0.05 -0.58 0.00 0.00 -0.50 0.00 0.00 59.98 58.95 1pjz h ARG 62 Cb 0.19 0.17 0.00 0.00 0.00 0.00 0.00 29.97 30.33 1pjz h ARG 62 CO -0.00 1.21 0.00 0.41 0.00 0.00 0.00 179.97 181.58 1pjz n GLY 63 N 1.05 0.61 0.00 0.04 0.00 0.15 -4.87 105.19 102.18 1pjz n GLY 63 Ca -0.09 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1pjz n GLY 63 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pjz n GLU 64 N -0.89 0.00 0.00 1.61 1.02 -0.85 -5.01 120.64 116.51 1pjz n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1pjz n GLU 64 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 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 -1.10 0.00 0.00 3.49 1.13 -1.26 -5.13 117.38 114.51 1pjz n GLN 65 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1pjz n GLN 65 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1pjz n GLN 65 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1pjz n PRO 66 N 0.00 -0.41 -3.70 -1.09 -0.04 -1.26 -4.98 135.00 123.51 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 -1.58 -0.04 0.00 0.00 175.50 173.88 1pjz s HIS 67 N -0.94 3.23 -0.14 0.54 2.46 -0.18 -4.98 115.29 115.27 1pjz s HIS 67 Ca 0.00 -1.18 -0.15 0.00 0.47 0.00 0.00 55.06 54.20 1pjz s HIS 67 Cb 0.00 -2.32 -0.05 0.00 -0.13 0.00 0.00 32.58 30.08 1pjz s HIS 67 CO 0.00 -0.67 0.34 0.42 -2.47 0.00 0.00 174.74 172.36 1pjz s ILE 68 N 1.47 5.27 0.03 0.89 -1.09 -1.26 -1.44 121.20 125.07 1pjz s ILE 68 Ca 0.00 0.65 0.06 0.00 -2.23 0.00 0.00 60.65 59.13 1pjz s ILE 68 Cb -0.19 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 1pjz s ILE 68 CO 0.04 0.39 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.08 1pjz s THR 69 N 0.35 1.40 -0.54 2.92 2.01 0.41 -4.96 115.64 117.23 1pjz s THR 69 Ca 0.19 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1pjz s THR 69 Cb -0.14 -1.22 0.14 0.00 0.01 0.00 0.00 72.50 71.29 1pjz s THR 69 CO 0.06 0.16 0.30 -0.55 -0.69 0.00 0.00 174.62 173.90 1pjz s SER 70 N -1.02 4.70 -0.69 3.53 0.15 -1.26 0.35 113.70 119.46 1pjz s SER 70 Ca 0.05 -2.85 -0.19 0.00 0.70 0.00 0.00 55.95 53.66 1pjz s SER 70 Cb -0.08 -1.72 0.12 0.00 -1.71 0.00 0.00 66.02 62.63 1pjz s SER 70 CO 0.01 -0.30 0.82 0.00 1.20 0.00 0.00 173.24 174.97 1pjz s GLN 71 N -0.07 3.22 6.15 5.44 1.03 0.12 -4.91 119.66 130.66 1pjz s GLN 71 Ca 0.16 -1.51 0.00 0.00 0.04 0.00 0.00 55.36 54.06 1pjz s GLN 71 Cb -0.23 -4.40 0.00 0.00 0.03 0.00 0.00 33.01 28.40 1pjz s GLN 71 CO -0.02 -1.58 0.00 0.41 -2.54 0.00 0.00 175.29 171.56 1pjz n GLY 72 N 5.16 1.59 0.80 2.60 0.00 -1.26 -0.74 105.19 113.35 1pjz n GLY 72 Ca 0.00 0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 11.22 3.33 -4.37 1.61 2.03 -1.26 -4.97 116.55 124.14 1pjz n ASP 73 Ca 0.00 -2.25 -0.29 0.00 0.52 0.00 0.00 54.79 52.77 1pjz n ASP 73 Cb 0.00 -0.34 -0.14 0.00 -0.72 0.00 0.00 41.12 39.93 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 -1.46 2.28 0.19 -0.67 0.08 0.08 -4.98 117.98 113.50 1pjz s PHE 74 Ca 0.31 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 57.02 1pjz s PHE 74 Cb 0.19 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1pjz s PHE 74 CO 0.16 0.26 0.21 0.21 -0.10 0.00 0.00 175.22 175.96 1pjz s LYS 75 N -1.78 3.08 -0.30 0.44 2.20 -1.26 0.13 119.74 122.25 1pjz s LYS 75 Ca 0.13 -0.85 -0.03 0.00 -0.36 0.00 0.00 55.97 54.86 1pjz s LYS 75 Cb -0.10 -2.72 0.11 0.00 -1.51 0.00 0.00 37.83 33.61 1pjz s LYS 75 CO 0.05 0.46 0.14 0.08 -0.36 0.00 0.00 175.35 175.72 1pjz s VAL 76 N -1.88 0.06 -0.52 4.02 1.01 0.16 -1.51 120.40 121.74 1pjz s VAL 76 Ca 0.33 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 1pjz s VAL 76 Cb -0.10 -1.07 0.12 0.00 0.00 0.00 0.00 36.38 35.33 1pjz s VAL 76 CO 0.26 -0.77 0.47 -0.47 0.00 0.00 0.00 175.10 174.58 1pjz s TYR 77 N 1.88 3.26 -0.15 5.22 6.14 0.62 -0.44 117.35 133.87 1pjz s TYR 77 Ca 0.11 -1.24 -0.10 0.00 0.64 0.00 0.00 57.07 56.48 1pjz s TYR 77 Cb -0.17 -3.63 -0.05 0.00 0.42 0.00 0.00 41.96 38.53 1pjz s TYR 77 CO -0.30 -0.97 0.19 0.00 0.64 0.00 0.00 175.55 175.11 1pjz s ALA 78 N 1.60 3.74 0.19 3.97 0.00 -0.52 -1.07 121.76 129.65 1pjz s ALA 78 Ca 0.03 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 51.47 1pjz s ALA 78 Cb -0.28 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1pjz s ALA 78 CO 0.04 0.33 0.08 0.00 0.00 0.00 0.00 175.76 176.20 1pjz s ALA 79 N -0.20 3.39 -0.49 0.00 0.00 -1.24 -1.02 121.76 122.20 1pjz s ALA 79 Ca 0.13 -1.34 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 1pjz s ALA 79 Cb -0.12 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.85 1pjz s ALA 79 CO 0.02 0.45 1.46 -1.25 0.00 0.00 0.00 175.76 176.44 1pjz s PRO 80 N -3.17 3.39 0.00 0.00 0.04 -1.26 -3.44 135.00 130.56 1pjz s PRO 80 Ca 0.30 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1pjz s PRO 80 Cb -0.09 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1pjz s PRO 80 CO 0.21 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.85 1pjz n GLY 81 N 5.21 3.28 3.77 0.56 0.00 -1.26 -5.09 105.19 111.66 1pjz n GLY 81 Ca 0.15 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 1pjz n GLY 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pjz s ILE 82 N 0.00 4.17 -0.79 -0.61 -1.16 -1.22 -4.94 121.20 116.64 1pjz s ILE 82 Ca 0.00 -1.53 -0.01 0.00 -0.51 0.00 0.00 60.65 58.60 1pjz s ILE 82 Cb 0.00 -3.24 0.36 0.00 0.61 0.00 0.00 42.46 40.20 1pjz s ILE 82 CO 0.00 -0.34 1.92 1.21 -2.81 0.00 0.00 174.94 174.92 1pjz n GLU 83 N -1.04 2.83 -3.62 3.50 4.07 -0.28 -3.96 120.64 122.14 1pjz n GLU 83 Ca -0.08 -3.62 -0.38 0.00 -0.06 0.00 0.00 57.16 53.02 1pjz n GLU 83 Cb 0.58 -2.27 -0.11 0.00 -0.06 0.00 0.00 31.44 29.58 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1pjz s ILE 84 N -5.12 5.16 -0.43 6.31 -1.09 -1.26 -1.26 121.20 123.51 1pjz s ILE 84 Ca 0.52 0.12 -0.08 0.00 -2.23 0.00 0.00 60.65 58.98 1pjz s ILE 84 Cb 0.44 -3.45 0.09 0.00 -1.58 0.00 0.00 42.46 37.96 1pjz s ILE 84 CO -0.38 0.27 0.27 -1.66 -1.23 0.00 0.00 174.94 172.21 1pjz s TRP 85 N 1.72 3.38 0.30 3.97 1.48 -0.45 -3.59 118.94 125.76 1pjz s TRP 85 Ca 0.07 -1.72 -0.29 0.00 -1.06 0.00 0.00 56.10 53.11 1pjz s TRP 85 Cb -0.16 -3.10 -0.09 0.00 -1.16 0.00 0.00 33.47 28.96 1pjz s TRP 85 CO 0.10 -0.90 1.11 0.00 -4.06 0.00 0.00 176.95 173.20 1pjz n GLY 87 N 1.05 1.02 3.24 0.00 0.00 0.15 -0.28 105.19 110.37 1pjz n GLY 87 Ca -0.00 -0.40 -0.13 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 1.29 -0.33 1.61 2.15 -0.57 -0.47 116.67 116.35 1pjz s ASP 88 Ca 0.00 -1.13 -0.03 0.00 0.43 0.00 0.00 52.55 51.82 1pjz s ASP 88 Cb 0.00 0.10 0.06 0.00 -0.30 0.00 0.00 42.92 42.78 1pjz s ASP 88 CO 0.00 -0.53 0.07 0.12 -0.17 0.00 0.00 175.17 174.66 1pjz s PHE 89 N -3.61 3.34 0.00 -5.34 2.19 -1.26 -4.57 117.98 108.72 1pjz s PHE 89 Ca 0.22 -1.90 0.00 0.00 0.33 0.00 0.00 56.93 55.58 1pjz s PHE 89 Cb 0.06 -2.40 0.00 0.00 -1.31 0.00 0.00 43.02 39.37 1pjz s PHE 89 CO 0.03 -0.83 0.00 1.19 1.83 0.00 0.00 175.22 177.44 1pjz n PHE 90 N 4.66 0.00 0.00 10.12 3.72 -1.26 -5.04 117.46 129.66 1pjz n PHE 90 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1pjz n PHE 90 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pjz n ALA 91 N 0.00 2.28 -1.31 4.37 0.00 -1.26 -5.09 120.51 119.50 1pjz n ALA 91 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1pjz n ALA 91 Cb 0.00 0.09 0.05 0.00 0.00 0.00 0.00 19.45 19.59 1pjz n ALA 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pjz n LEU 92 N -1.94 0.00 -3.45 0.00 -0.00 -1.26 -5.08 117.00 105.28 1pjz n LEU 92 Ca 0.00 -0.38 -0.25 0.00 -0.00 0.00 0.00 56.01 55.39 1pjz n LEU 92 Cb 0.09 -0.25 -0.11 0.00 -0.00 0.00 0.00 43.42 43.15 1pjz n LEU 92 CO 0.00 -0.73 -0.27 -0.89 -0.00 0.00 0.00 177.39 175.51 1pjz s THR 93 N -1.64 -0.09 0.14 1.47 2.01 -1.26 -4.96 115.64 111.31 1pjz s THR 93 Ca 0.19 -1.16 0.11 0.00 0.31 0.00 0.00 61.69 61.13 1pjz s THR 93 Cb -0.01 -0.97 0.11 0.00 0.01 0.00 0.00 72.50 71.65 1pjz s THR 93 CO 0.13 -0.77 1.21 0.00 -0.69 0.00 0.00 174.62 174.50 1pjz h ALA 94 N 7.51 1.29 0.36 7.40 0.00 -1.84 0.21 119.26 134.20 1pjz h ALA 94 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1pjz h ALA 94 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1pjz h ALA 94 CO 0.30 -0.29 -0.17 -0.09 0.00 0.00 0.00 179.25 178.99 1pjz h ARG 95 N 0.00 -0.46 0.32 0.00 2.43 0.49 0.69 114.38 117.84 1pjz h ARG 95 Ca 0.00 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1pjz h ARG 95 Cb 0.84 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1pjz h ARG 95 CO 0.00 -0.14 -0.15 0.22 -1.51 0.00 0.00 179.97 178.39 1pjz h ASP 96 N -0.89 -0.36 0.39 -3.80 1.82 -0.87 0.16 116.42 112.87 1pjz h ASP 96 Ca -0.05 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.40 1pjz h ASP 96 Cb 0.53 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.62 1pjz h ASP 96 CO 0.08 0.07 -0.38 -0.29 -1.61 0.00 0.00 179.24 177.11 1pjz h ILE 97 N -0.88 0.22 0.00 2.25 -0.00 -1.45 -3.27 117.51 114.38 1pjz h ILE 97 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.82 1pjz h ILE 97 Cb 0.52 0.22 0.00 0.00 -0.00 0.00 0.00 36.82 37.56 1pjz h ILE 97 CO 0.07 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.83 1pjz n GLY 98 N -1.48 -2.76 5.03 8.18 0.00 0.24 -4.67 105.19 109.72 1pjz n GLY 98 Ca -0.10 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1pjz n GLY 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1pjz n HIS 99 N -1.68 0.00 -3.79 1.61 -0.00 0.57 -4.28 115.22 107.65 1pjz n HIS 99 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 1pjz n HIS 99 Cb 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.73 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1pjz n ALA 101 N 3.64 0.00 -3.82 0.00 0.00 -0.31 -1.83 120.51 118.19 1pjz n ALA 101 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.26 1pjz n ALA 101 Cb 0.55 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.57 -2.03 -3.65 0.00 0.00 -0.66 -0.05 120.51 113.55 1pjz n ALA 102 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 53.44 52.21 1pjz n ALA 102 Cb 0.00 0.88 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 1pjz n ALA 102 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pjz s PHE 103 N -2.17 -1.15 -0.35 0.00 -0.12 0.72 -1.38 117.98 113.53 1pjz s PHE 103 Ca 0.18 2.06 -0.21 0.00 -0.05 0.00 0.00 56.93 58.91 1pjz s PHE 103 Cb -0.04 0.64 0.00 0.00 -0.63 0.00 0.00 43.02 42.99 1pjz s PHE 103 CO 0.10 -0.60 0.66 -0.47 -0.05 0.00 0.00 175.22 174.87 1pjz s TYR 104 N 2.68 3.15 -0.21 3.49 5.04 0.20 -0.97 117.35 130.72 1pjz s TYR 104 Ca -0.05 0.40 -0.09 0.00 -2.44 0.00 0.00 57.07 54.89 1pjz s TYR 104 Cb -0.11 -3.18 -0.05 0.00 0.35 0.00 0.00 41.96 38.97 1pjz s TYR 104 CO -0.17 -0.64 0.11 0.34 -1.34 0.00 0.00 175.55 173.85 1pjz s ASP 105 N 1.79 5.89 0.23 4.32 -1.08 0.10 -3.73 116.67 124.19 1pjz s ASP 105 Ca 0.26 0.10 0.05 0.00 -0.52 0.00 0.00 52.55 52.44 1pjz s ASP 105 Cb -0.14 -2.04 -0.03 0.00 -1.46 0.00 0.00 42.92 39.25 1pjz s ASP 105 CO 0.15 0.12 0.31 -0.60 0.52 0.00 0.00 175.17 175.67 1pjz s ARG 106 N 0.71 3.33 -0.48 4.34 3.52 -1.26 -0.18 118.95 128.93 1pjz s ARG 106 Ca 0.06 -0.79 -0.34 0.00 -0.13 0.00 0.00 55.73 54.52 1pjz s ARG 106 Cb -0.13 -2.83 -0.13 0.00 -1.56 0.00 0.00 34.95 30.30 1pjz s ARG 106 CO 0.02 0.44 2.29 0.00 -0.81 0.00 0.00 175.30 177.24 1pjz n ALA 107 N -1.20 0.83 0.09 6.12 0.00 0.92 -4.52 120.51 122.75 1pjz n ALA 107 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1pjz n ALA 107 Cb 0.57 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1pjz n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz n ALA 108 N 10.50 3.00 0.31 0.00 0.00 -1.26 -4.83 120.51 128.22 1pjz n ALA 108 Ca 0.46 0.00 0.16 0.00 0.00 0.00 0.00 53.44 54.06 1pjz n ALA 108 Cb 0.21 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.38 1pjz n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz h MET 109 N 0.00 0.00 0.00 0.00 -0.00 -1.93 -1.22 114.93 111.78 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1pjz h MET 109 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.91 176.07 1pjz h ILE 110 N 0.00 0.00 0.00 -0.10 -2.65 -1.92 -3.06 117.51 109.79 1pjz h ILE 110 Ca 0.00 -0.35 -0.04 0.00 1.03 0.00 0.00 64.86 65.50 1pjz h ILE 110 Cb 0.30 1.22 -0.01 0.00 -2.05 0.00 0.00 36.82 36.29 1pjz h ILE 110 CO 0.00 0.00 -0.28 0.00 0.03 0.00 0.00 178.15 177.90 1pjz h ALA 111 N 2.11 0.04 -2.18 0.16 0.00 -1.43 2.08 119.26 120.05 1pjz h ALA 111 Ca 0.00 -0.45 -0.44 0.00 0.00 0.00 0.00 54.91 54.02 1pjz h ALA 111 Cb 0.41 0.20 0.20 0.00 0.00 0.00 0.00 17.79 18.60 1pjz h ALA 111 CO 0.00 0.19 0.03 -0.48 0.00 0.00 0.00 179.25 179.00 1pjz s LEU 112 N -8.27 0.85 0.00 0.00 2.34 -1.16 -4.72 118.68 107.72 1pjz s LEU 112 Ca -0.14 1.40 0.00 0.00 0.06 0.00 0.00 54.13 55.46 1pjz s LEU 112 Cb 0.00 -3.33 0.00 0.00 -0.56 0.00 0.00 46.19 42.30 1pjz s LEU 112 CO 0.38 -4.09 0.00 -0.81 -1.06 0.00 0.00 176.35 170.77 1pjz n PRO 113 N -4.83 0.77 0.03 1.48 -0.04 -1.26 -4.76 135.00 126.39 1pjz n PRO 113 Ca 0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1pjz n PRO 113 Cb 0.55 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.00 1pjz n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pjz h ALA 114 N -2.00 -0.23 -0.76 0.55 0.00 -1.96 -1.89 119.26 112.98 1pjz h ALA 114 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1pjz h ALA 114 Cb 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1pjz h ALA 114 CO 0.00 -0.22 -0.45 -0.25 0.00 0.00 0.00 179.25 178.33 1pjz n ASP 115 N -3.46 -0.80 -0.20 0.00 8.00 -1.26 0.49 116.55 119.32 1pjz n ASP 115 Ca -0.02 1.56 0.01 0.00 0.71 0.00 0.00 54.79 57.05 1pjz n ASP 115 Cb 0.05 -0.28 0.11 0.00 -0.02 0.00 0.00 41.12 40.98 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 0.32 0.13 -1.24 4.05 -1.95 -1.33 114.93 114.90 1pjz h MET 116 Ca 0.12 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1pjz h MET 116 Cb 0.31 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 1pjz h MET 116 CO -0.71 0.21 -0.51 0.00 0.23 0.00 0.00 176.91 176.13 1pjz h ARG 117 N 0.33 -0.70 -0.79 0.39 3.08 0.91 0.54 114.38 118.14 1pjz h ARG 117 Ca 0.32 0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.59 1pjz h ARG 117 Cb 0.44 0.16 -0.11 0.00 0.08 0.00 0.00 29.97 30.54 1pjz h ARG 117 CO -0.36 -0.47 0.25 0.93 -1.07 0.00 0.00 179.97 179.25 1pjz h GLU 118 N -0.73 0.32 0.00 0.04 5.08 -0.08 1.11 114.58 120.32 1pjz h GLU 118 Ca -0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1pjz h GLU 118 Cb 0.73 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1pjz h GLU 118 CO -0.27 0.21 -0.17 0.00 -1.00 0.00 0.00 179.01 177.78 1pjz h ARG 119 N 0.33 0.00 0.02 2.33 2.47 -0.12 0.20 114.38 119.61 1pjz h ARG 119 Ca 0.46 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.14 1pjz h ARG 119 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 1pjz h ARG 119 CO -0.50 0.17 -0.17 -0.92 0.56 0.00 0.00 179.97 179.10 1pjz h TYR 120 N 0.00 0.13 -0.57 3.04 3.20 0.62 -1.02 116.97 122.37 1pjz h TYR 120 Ca -0.00 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.69 1pjz h TYR 120 Cb 0.46 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1pjz h TYR 120 CO 0.00 1.03 -0.01 -0.39 -1.64 0.00 0.00 178.16 177.14 1pjz h VAL 121 N -0.81 1.26 0.04 1.81 -1.51 -0.07 0.33 116.25 117.30 1pjz h VAL 121 Ca -0.03 -1.14 -0.00 0.00 -1.23 0.00 0.00 66.70 64.30 1pjz h VAL 121 Cb 1.09 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1pjz h VAL 121 CO 0.03 0.41 -0.02 0.06 -1.23 0.00 0.00 177.57 176.82 1pjz h GLN 122 N 0.91 -0.05 -0.86 5.19 3.07 -0.71 0.20 115.11 122.86 1pjz h GLN 122 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.89 1pjz h GLN 122 Cb 0.55 0.01 -0.04 0.00 0.08 0.00 0.00 27.48 28.08 1pjz h GLN 122 CO 0.03 0.32 0.46 0.45 0.09 0.00 0.00 178.83 180.18 1pjz h HIS 123 N -0.42 1.18 0.41 0.06 3.86 -1.09 0.28 115.15 119.42 1pjz h HIS 123 Ca -0.01 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1pjz h HIS 123 Cb 0.39 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1pjz h HIS 123 CO 0.05 0.82 -0.20 1.25 0.86 0.00 0.00 177.93 180.71 1pjz h LEU 124 N 1.20 -0.46 -2.05 2.43 7.12 -0.25 -1.41 115.31 121.89 1pjz h LEU 124 Ca 0.30 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.37 1pjz h LEU 124 Cb 0.03 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 1pjz h LEU 124 CO -0.05 -0.27 0.34 1.05 -0.13 0.00 0.00 178.44 179.38 1pjz h GLU 125 N -0.66 0.00 0.50 1.25 -0.00 -0.55 0.88 114.58 116.00 1pjz h GLU 125 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.28 1pjz h GLU 125 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.17 1pjz h GLU 125 CO 0.09 0.00 -0.24 0.00 -0.00 0.00 0.00 179.01 178.86 1pjz h ALA 126 N 1.44 -0.72 0.00 1.06 0.00 -0.12 -3.10 119.26 117.82 1pjz h ALA 126 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pjz h ALA 126 Cb 0.75 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1pjz h ALA 126 CO -0.00 -0.67 0.00 1.47 0.00 0.00 0.00 179.25 180.05 1pjz n LEU 127 N -4.96 0.17 -4.14 0.00 -0.00 -0.54 -4.83 117.00 102.71 1pjz n LEU 127 Ca -0.08 0.53 -0.24 0.00 -0.00 0.00 0.00 56.01 56.22 1pjz n LEU 127 Cb 0.26 -0.50 0.19 0.00 -0.00 0.00 0.00 43.42 43.38 1pjz n LEU 127 CO 0.20 -0.22 0.00 0.23 -0.00 0.00 0.00 177.39 177.60 1pjz n MET 128 N -1.67 -2.74 0.00 1.47 2.81 0.29 0.31 117.12 117.59 1pjz n MET 128 Ca 0.04 -0.81 0.00 0.00 -1.81 0.00 0.00 57.70 55.13 1pjz n MET 128 Cb 0.25 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1pjz n MET 128 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1pjz n PRO 129 N -2.90 1.94 -0.02 0.03 -0.04 -1.16 -3.09 135.00 129.75 1pjz n PRO 129 Ca 0.06 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 1pjz n PRO 129 Cb 0.47 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.91 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 0.65 -3.42 0.54 1.13 -0.87 -4.87 117.38 110.54 1pjz n GLN 130 Ca 0.00 0.02 -0.25 0.00 -1.94 0.00 0.00 57.00 54.83 1pjz n GLN 130 Cb 0.00 -1.07 -0.10 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 -2.07 0.55 -0.04 -1.58 0.00 -0.64 -3.97 121.76 114.01 1pjz s ALA 131 Ca -0.04 -1.66 -0.14 0.00 0.00 0.00 0.00 51.96 50.12 1pjz s ALA 131 Cb 0.01 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.42 1pjz s ALA 131 CO 0.09 -2.11 0.32 0.00 0.00 0.00 0.00 175.76 174.06 1pjz s SER 133 N -0.95 6.48 0.10 0.00 0.15 0.93 0.43 113.70 120.83 1pjz s SER 133 Ca -0.10 0.48 -0.03 0.00 0.70 0.00 0.00 55.95 57.01 1pjz s SER 133 Cb -0.04 -2.31 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 1pjz s SER 133 CO 0.03 -0.40 0.29 -0.83 1.20 0.00 0.00 173.24 173.54 1pjz s GLY 134 N 1.58 2.22 -0.30 9.45 0.00 0.20 -0.20 107.32 120.27 1pjz s GLY 134 Ca 0.24 -0.69 -0.04 0.00 0.00 0.00 0.00 44.72 44.23 1pjz s GLY 134 CO 0.10 -0.63 0.14 -2.27 0.00 0.00 0.00 173.10 170.45 1pjz s LEU 135 N -2.53 0.55 0.18 0.66 2.96 -0.14 -0.39 118.68 119.97 1pjz s LEU 135 Ca 0.37 -1.35 -0.20 0.00 -0.22 0.00 0.00 54.13 52.73 1pjz s LEU 135 Cb -0.13 -0.33 -0.08 0.00 0.50 0.00 0.00 46.19 46.16 1pjz s LEU 135 CO 0.26 -0.43 0.70 -0.22 -1.32 0.00 0.00 176.35 175.33 1pjz s LEU 136 N 2.02 4.43 -0.27 -0.68 2.96 -0.13 -0.72 118.68 126.28 1pjz s LEU 136 Ca 0.10 1.41 0.01 0.00 -0.22 0.00 0.00 54.13 55.43 1pjz s LEU 136 Cb -0.16 -3.38 0.08 0.00 0.50 0.00 0.00 46.19 43.22 1pjz s LEU 136 CO -0.34 0.12 0.00 -0.63 -1.32 0.00 0.00 176.35 174.18 1pjz s ILE 137 N -1.37 1.57 0.53 6.68 -1.09 0.75 -1.04 121.20 127.23 1pjz s ILE 137 Ca 0.39 -1.52 0.08 0.00 -2.23 0.00 0.00 60.65 57.37 1pjz s ILE 137 Cb -0.18 -1.98 0.05 0.00 -1.58 0.00 0.00 42.46 38.77 1pjz s ILE 137 CO 0.22 -0.34 0.58 0.42 -1.23 0.00 0.00 174.94 174.59 1pjz s THR 138 N 1.33 2.13 0.26 2.92 -4.23 0.16 -0.06 115.64 118.15 1pjz s THR 138 Ca 0.01 -1.22 -0.11 0.00 -1.18 0.00 0.00 61.69 59.20 1pjz s THR 138 Cb -0.19 -2.35 -0.00 0.00 1.34 0.00 0.00 72.50 71.30 1pjz s THR 138 CO -0.11 0.00 0.47 -1.48 -0.54 0.00 0.00 174.62 172.96 1pjz s LEU 139 N -4.43 0.45 0.00 4.79 -0.00 -1.26 -0.20 118.68 118.03 1pjz s LEU 139 Ca 0.50 -1.04 0.00 0.00 -0.00 0.00 0.00 54.13 53.59 1pjz s LEU 139 Cb -0.05 1.67 0.00 0.00 -0.00 0.00 0.00 46.19 47.82 1pjz s LEU 139 CO 0.31 -1.16 0.00 1.21 -0.00 0.00 0.00 176.35 176.71 1pjz n GLU 140 N -0.40 0.00 0.00 1.48 0.00 -0.35 -3.00 120.64 118.37 1pjz n GLU 140 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1pjz n GLU 140 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.06 1pjz n GLU 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1pjz n TYR 141 N -1.87 0.00 -0.39 4.31 4.02 -1.26 -4.43 117.16 117.55 1pjz n TYR 141 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1pjz n TYR 141 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1pjz n ASP 142 N -0.57 -0.19 0.00 7.72 5.68 -1.26 -4.62 116.55 123.31 1pjz n ASP 142 Ca 0.00 0.31 0.00 0.00 -0.50 0.00 0.00 54.79 54.60 1pjz n ASP 142 Cb 0.00 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 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 0.33 0.00 -2.42 0.11 10.64 -1.26 -3.94 117.38 120.84 1pjz n GLN 143 Ca 0.05 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.99 1pjz n GLN 143 Cb 0.05 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.44 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 4.74 0.00 2.61 0.00 -1.26 -4.58 120.51 122.02 1pjz n ALA 144 Ca 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.45 1pjz n ALA 144 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.48 0.00 -4.86 0.00 -0.00 -1.26 -5.14 117.00 105.26 1pjz n LEU 145 Ca 0.35 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 56.03 1pjz n LEU 145 Cb 0.75 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.12 1pjz n LEU 145 CO 0.33 0.00 0.23 -0.22 -0.00 0.00 0.00 177.39 177.72 1pjz s LEU 146 N 0.00 4.23 -0.52 1.47 0.20 -1.26 -4.74 118.68 118.06 1pjz s LEU 146 Ca 0.00 0.98 -0.27 0.00 0.69 0.00 0.00 54.13 55.54 1pjz s LEU 146 Cb 0.00 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.19 1pjz s LEU 146 CO 0.00 -0.01 1.99 -1.83 -0.29 0.00 0.00 176.35 176.21 1pjz s GLU 147 N -2.50 2.64 0.00 1.98 -1.05 -1.26 -4.52 118.70 113.99 1pjz s GLU 147 Ca 0.44 0.99 0.00 0.00 -0.15 0.00 0.00 54.97 56.25 1pjz s GLU 147 Cb -0.13 -4.40 0.00 0.00 -0.44 0.00 0.00 34.13 29.16 1pjz s GLU 147 CO 0.20 -2.69 0.00 0.41 0.95 0.00 0.00 175.26 174.13 1pjz n GLY 148 N 5.72 -0.49 3.66 -3.83 0.00 -1.26 -4.96 105.19 104.03 1pjz n GLY 148 Ca 0.25 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 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 -4.43 4.18 0.14 1.61 0.04 -1.26 -4.70 135.00 130.59 1pjz s PRO 149 Ca 0.00 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 1pjz s PRO 149 Cb 0.00 -3.79 -0.07 0.00 0.04 0.00 0.00 34.50 30.68 1pjz s PRO 149 CO 0.00 -0.77 1.13 -1.25 0.04 0.00 0.00 177.00 176.15 1pjz s PRO 150 N 3.62 4.54 -0.04 0.56 0.04 -1.25 -4.41 135.00 138.05 1pjz s PRO 150 Ca 0.56 1.74 0.07 0.00 0.04 0.00 0.00 61.00 63.41 1pjz s PRO 150 Cb -0.21 -3.30 0.29 0.00 0.04 0.00 0.00 34.50 31.32 1pjz s PRO 150 CO 0.16 -0.04 1.12 1.19 0.04 0.00 0.00 177.00 179.47 1pjz n PHE 151 N 2.87 0.60 -4.01 0.56 3.01 0.70 -4.85 117.46 116.35 1pjz n PHE 151 Ca 0.05 -0.24 -0.39 0.00 1.01 0.00 0.00 57.45 57.87 1pjz n PHE 151 Cb 0.46 -0.12 0.02 0.00 -0.01 0.00 0.00 39.48 39.82 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pjz n SER 152 N 0.31 -3.52 -4.66 4.37 3.41 -1.16 -4.58 113.62 107.79 1pjz n SER 152 Ca 0.10 -1.10 -0.62 0.00 -0.26 0.00 0.00 58.87 56.99 1pjz n SER 152 Cb 0.43 -1.34 -0.09 0.00 -0.26 0.00 0.00 64.21 62.94 1pjz n SER 152 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1pjz n VAL 153 N -4.33 0.13 -2.42 -3.33 0.31 -1.26 -4.83 118.33 102.61 1pjz n VAL 153 Ca -0.11 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.76 1pjz n VAL 153 Cb 0.49 -0.84 -0.02 0.00 -0.91 0.00 0.00 33.84 32.55 1pjz n VAL 153 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pjz s PRO 154 N 3.76 4.26 0.33 5.55 0.04 -1.26 -4.88 135.00 142.79 1pjz s PRO 154 Ca 1.05 1.68 0.19 0.00 0.04 0.00 0.00 61.00 63.96 1pjz s PRO 154 Cb -1.30 -3.72 1.18 0.00 0.04 0.00 0.00 34.50 30.70 1pjz s PRO 154 CO 0.72 -0.65 1.36 1.04 0.04 0.00 0.00 177.00 179.51 1pjz n GLN 155 N 6.27 -0.05 -0.09 4.56 3.00 -1.26 0.25 117.38 130.06 1pjz n GLN 155 Ca 0.13 1.18 -0.08 0.00 -0.01 0.00 0.00 57.00 58.22 1pjz n GLN 155 Cb 0.45 -2.13 -0.00 0.00 0.00 0.00 0.00 30.24 28.55 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 0.98 -0.04 5.09 1.03 -1.98 -0.34 112.91 117.65 1pjz h THR 156 Ca 0.73 -0.11 0.04 0.00 -0.01 0.00 0.00 66.41 67.06 1pjz h THR 156 Cb 1.99 0.64 -0.05 0.00 -1.07 0.00 0.00 68.15 69.66 1pjz h THR 156 CO -0.63 0.06 -0.26 -0.25 -0.01 0.00 0.00 175.52 174.43 1pjz h TRP 157 N 0.31 -0.69 -0.96 0.00 7.01 0.29 0.61 115.95 122.53 1pjz h TRP 157 Ca 0.13 0.03 0.19 0.00 2.11 0.00 0.00 58.89 61.34 1pjz h TRP 157 Cb 0.05 0.31 -0.11 0.00 -2.10 0.00 0.00 29.16 27.32 1pjz h TRP 157 CO -0.10 -0.34 0.55 -0.07 -2.79 0.00 0.00 178.44 175.69 1pjz h LEU 158 N -0.37 0.68 -0.85 0.65 3.38 -0.96 1.63 115.31 119.47 1pjz h LEU 158 Ca 0.07 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1pjz h LEU 158 Cb 0.48 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1pjz h LEU 158 CO -0.25 0.23 0.00 -0.74 0.09 0.00 0.00 178.44 177.77 1pjz h HIS 159 N 0.69 0.00 0.17 1.13 2.76 0.86 2.50 115.15 123.26 1pjz h HIS 159 Ca 0.56 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 58.41 1pjz h HIS 159 Cb 0.88 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.85 1pjz h HIS 159 CO -0.04 0.00 -1.55 0.07 -1.30 0.00 0.00 177.93 175.12 1pjz h ARG 160 N 0.00 0.36 0.00 5.26 0.11 0.76 -3.34 114.38 117.52 1pjz h ARG 160 Ca 0.00 -0.61 0.00 0.00 0.10 0.00 0.00 59.98 59.47 1pjz h ARG 160 Cb 0.61 0.23 0.00 0.00 1.11 0.00 0.00 29.97 31.91 1pjz h ARG 160 CO 0.00 1.25 -0.28 1.55 0.10 0.00 0.00 179.97 182.59 1pjz n VAL 161 N -3.56 1.25 0.00 0.08 3.14 0.13 -4.57 118.33 114.80 1pjz n VAL 161 Ca -0.18 0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 1pjz n VAL 161 Cb 1.06 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 32.06 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 -3.72 0.00 -3.26 1.45 2.81 0.82 -4.25 117.12 110.97 1pjz n MET 162 Ca -0.04 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.40 1pjz n MET 162 Cb 0.15 -1.20 -0.06 0.00 -0.71 0.00 0.00 33.22 31.41 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 -1.78 6.18 0.00 7.83 0.15 0.23 -4.29 113.70 122.02 1pjz s SER 163 Ca 0.00 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.14 1pjz s SER 163 Cb 0.00 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1pjz s SER 163 CO 0.00 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1pjz n GLY 164 N 5.24 -0.46 0.00 9.45 0.00 -1.26 -4.93 105.19 113.23 1pjz n GLY 164 Ca -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1pjz n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pjz n ASN 165 N 0.00 0.00 -3.72 1.61 4.13 -1.26 -5.10 115.26 110.92 1pjz n ASN 165 Ca 0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 1pjz n ASN 165 Cb 0.00 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.10 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 0.28 0.00 0.00 177.26 175.88 1pjz s TRP 166 N 0.00 -0.30 -0.86 3.10 -2.14 -1.26 -0.95 118.94 116.54 1pjz s TRP 166 Ca 0.00 0.73 -0.25 0.00 2.66 0.00 0.00 56.10 59.24 1pjz s TRP 166 Cb 0.00 -0.02 0.03 0.00 -3.10 0.00 0.00 33.47 30.38 1pjz s TRP 166 CO 0.00 -0.24 1.45 -1.21 -2.66 0.00 0.00 176.95 174.29 1pjz s GLU 167 N 1.49 3.25 0.18 3.25 2.02 -0.29 -4.61 118.70 124.00 1pjz s GLU 167 Ca -0.07 -0.53 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 1pjz s GLU 167 Cb -0.11 -4.75 -0.08 0.00 0.10 0.00 0.00 34.13 29.30 1pjz s GLU 167 CO -0.08 -2.32 1.03 0.14 0.02 0.00 0.00 175.26 174.05 1pjz s VAL 168 N 6.07 4.04 -0.02 2.63 -7.23 -1.22 -0.61 120.40 124.06 1pjz s VAL 168 Ca 0.45 1.83 0.03 0.00 -1.81 0.00 0.00 61.98 62.48 1pjz s VAL 168 Cb -0.05 -4.16 -0.00 0.00 0.56 0.00 0.00 36.38 32.72 1pjz s VAL 168 CO 0.04 0.34 -0.11 0.28 -0.31 0.00 0.00 175.10 175.35 1pjz s THR 169 N -0.48 0.93 0.07 5.32 -1.32 0.23 -4.88 115.64 115.51 1pjz s THR 169 Ca 0.46 -0.46 -0.31 0.00 -1.21 0.00 0.00 61.69 60.18 1pjz s THR 169 Cb -0.27 -0.81 -0.08 0.00 -1.51 0.00 0.00 72.50 69.83 1pjz s THR 169 CO 0.34 0.28 1.56 -0.75 -2.21 0.00 0.00 174.62 173.83 1pjz s LYS 170 N 0.05 4.23 0.20 7.08 2.20 -1.26 -0.94 119.74 131.30 1pjz s LYS 170 Ca -0.01 2.22 -0.18 0.00 -0.36 0.00 0.00 55.97 57.64 1pjz s LYS 170 Cb -0.08 -3.50 0.03 0.00 -1.51 0.00 0.00 37.83 32.77 1pjz s LYS 170 CO 0.00 -0.65 0.54 0.54 -0.36 0.00 0.00 175.35 175.43 1pjz s VAL 171 N 2.23 0.02 0.00 4.02 0.11 -0.09 -4.89 120.40 121.79 1pjz s VAL 171 Ca 0.70 -0.80 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1pjz s VAL 171 Cb -0.38 -1.63 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1pjz s VAL 171 CO 0.31 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 1pjz n GLY 172 N -0.36 0.93 0.00 6.54 0.00 -1.26 -0.15 105.19 110.90 1pjz n GLY 172 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 2.36 2.66 -0.02 0.00 0.17 -4.57 105.19 105.80 1pjz n GLY 173 Ca 0.00 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1pjz n GLY 173 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pjz n GLN 174 N 0.00 0.00 -0.56 1.61 7.27 -1.21 -0.28 117.38 124.21 1pjz n GLN 174 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.88 1pjz n GLN 174 Cb 0.00 -0.80 -0.02 0.00 2.41 0.00 0.00 30.24 31.83 1pjz n GLN 174 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1pjz n ASP 175 N 1.78 3.22 -4.02 1.69 5.75 -1.25 -2.51 116.55 121.20 1pjz n ASP 175 Ca 0.11 -2.27 -0.42 0.00 -0.01 0.00 0.00 54.79 52.19 1pjz n ASP 175 Cb 0.28 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 1pjz n ASP 175 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1pjz n THR 176 N 4.69 3.65 -0.34 2.12 5.66 -1.24 -4.06 114.28 124.75 1pjz n THR 176 Ca 0.33 -3.43 0.04 0.00 -3.05 0.00 0.00 64.05 57.94 1pjz n THR 176 Cb 0.13 -2.52 0.19 0.00 -1.55 0.00 0.00 70.33 66.58 1pjz n THR 176 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1pjz h LEU 177 N 10.76 0.90 -2.03 1.09 8.10 -1.85 0.41 115.31 132.69 1pjz h LEU 177 Ca 0.52 0.03 0.01 0.00 0.11 0.00 0.00 57.88 58.55 1pjz h LEU 177 Cb 0.72 -0.15 -0.00 0.00 -0.44 0.00 0.00 40.66 40.78 1pjz h LEU 177 CO 1.73 0.53 0.33 0.45 -4.11 0.00 0.00 178.44 177.37 1pjz h HIS 178 N 1.00 0.00 0.00 0.17 3.86 -1.96 -2.64 115.15 115.58 1pjz h HIS 178 Ca 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 1pjz h HIS 178 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1pjz h HIS 178 CO -0.02 0.00 0.00 0.45 0.86 0.00 0.00 177.93 179.22 1pjz n SER 179 N -2.95 0.00 -4.74 2.45 2.88 0.14 -4.54 113.62 106.87 1pjz n SER 179 Ca -0.01 0.50 -0.41 0.00 -1.33 0.00 0.00 58.87 57.62 1pjz n SER 179 Cb 0.38 -0.33 -0.04 0.00 -0.75 0.00 0.00 64.21 63.47 1pjz n SER 179 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1pjz s SER 180 N -2.22 7.24 0.28 -3.46 0.01 -0.99 -3.79 113.70 110.77 1pjz s SER 180 Ca 0.00 2.16 0.11 0.00 1.31 0.00 0.00 55.95 59.53 1pjz s SER 180 Cb 0.00 -2.61 0.39 0.00 0.21 0.00 0.00 66.02 64.00 1pjz s SER 180 CO 0.00 -0.22 1.63 0.00 0.41 0.00 0.00 173.24 175.05 1pjz h ALA 181 N 4.77 0.99 -0.62 1.44 0.00 -1.87 -2.95 119.26 121.03 1pjz h ALA 181 Ca -0.45 -0.54 0.18 0.00 0.00 0.00 0.00 54.91 54.10 1pjz h ALA 181 Cb 1.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1pjz h ALA 181 CO 0.71 0.75 0.86 0.00 0.00 0.00 0.00 179.25 181.57 1pjz h ARG 182 N 0.00 0.00 0.28 0.00 2.47 -1.91 0.41 114.38 115.63 1pjz h ARG 182 Ca -0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1pjz h ARG 182 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1pjz h ARG 182 CO 0.08 0.00 -0.13 0.78 0.56 0.00 0.00 179.97 181.25 1pjz h GLY 183 N 0.00 -0.39 2.00 0.04 0.00 -1.76 0.29 103.07 103.25 1pjz h GLY 183 Ca 0.29 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1pjz h GLY 183 CO -0.00 -0.14 0.00 1.04 0.00 0.00 0.00 176.54 177.43 1pjz n LEU 184 N -5.10 0.74 -0.00 3.11 7.99 0.12 0.11 117.00 123.97 1pjz n LEU 184 Ca -0.09 0.65 -0.00 0.00 -0.01 0.00 0.00 56.01 56.55 1pjz n LEU 184 Cb 0.26 -0.50 -0.00 0.00 -0.11 0.00 0.00 43.42 43.07 1pjz n LEU 184 CO 0.30 -0.46 -0.00 0.11 -1.51 0.00 0.00 177.39 175.83 1pjz h LYS 185 N 0.00 0.00 -0.13 3.23 1.79 -0.64 -3.38 116.57 117.45 1pjz h LYS 185 Ca 0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1pjz h LYS 185 Cb 0.48 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1pjz h LYS 185 CO 0.00 0.00 -0.37 0.00 -1.08 0.00 0.00 179.45 178.00 1pjz h ALA 186 N -1.92 1.14 -1.28 3.86 0.00 -0.50 -3.48 119.26 117.09 1pjz h ALA 186 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1pjz h ALA 186 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1pjz h ALA 186 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1pjz n GLY 187 N -0.26 0.41 0.09 0.00 0.00 0.30 -4.76 105.19 100.97 1pjz n GLY 187 Ca -0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.17 -3.47 115.31 111.66 1pjz h LEU 188 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 57.88 57.35 1pjz h LEU 188 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1pjz h LEU 188 CO 0.00 1.18 0.00 -1.84 -0.00 0.00 0.00 178.44 177.78 1pjz n GLU 189 N -4.53 0.00 0.00 1.13 -0.00 -1.26 -4.75 120.64 111.22 1pjz n GLU 189 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.96 1pjz n GLU 189 Cb 0.51 -2.28 0.00 0.00 -0.00 0.00 0.00 31.44 29.67 1pjz n GLU 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1pjz n ARG 190 N -2.00 0.00 -3.76 3.44 1.74 -1.26 -5.01 116.66 109.81 1pjz n ARG 190 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1pjz n ARG 190 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 1pjz n ARG 190 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pjz s MET 191 N -0.02 0.44 0.18 5.56 0.23 -1.26 -4.90 119.30 119.52 1pjz s MET 191 Ca 0.00 0.31 -0.32 0.00 -1.03 0.00 0.00 55.69 54.65 1pjz s MET 191 Cb 0.00 0.21 -0.12 0.00 -1.53 0.00 0.00 34.83 33.39 1pjz s MET 191 CO 0.00 -0.07 1.74 -0.25 -2.03 0.00 0.00 175.02 174.40 1pjz n ASP 192 N 2.57 3.90 -3.89 -1.18 9.92 -1.26 -3.66 116.55 122.95 1pjz n ASP 192 Ca -0.15 1.05 -0.25 0.00 -0.53 0.00 0.00 54.79 54.90 1pjz n ASP 192 Cb 0.57 -1.55 -0.17 0.00 -0.64 0.00 0.00 41.12 39.33 1pjz n ASP 192 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1pjz s GLU 193 N 1.53 1.32 0.17 -1.24 -6.30 0.62 -1.21 118.70 113.59 1pjz s GLU 193 Ca 0.77 -0.19 0.04 0.00 -2.50 0.00 0.00 54.97 53.10 1pjz s GLU 193 Cb -0.52 -1.40 -0.04 0.00 0.00 0.00 0.00 34.13 32.17 1pjz s GLU 193 CO 0.34 -0.23 0.19 -1.01 0.02 0.00 0.00 175.26 174.57 1pjz s HIS 194 N 1.59 3.25 0.08 5.30 3.76 0.72 0.44 115.29 130.43 1pjz s HIS 194 Ca 0.02 0.02 0.04 0.00 -0.15 0.00 0.00 55.06 54.98 1pjz s HIS 194 Cb -0.13 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 31.98 1pjz s HIS 194 CO -0.06 0.52 -0.11 0.08 -0.85 0.00 0.00 174.74 174.31 1pjz s VAL 195 N -1.78 0.95 -0.12 -0.90 1.01 0.79 0.39 120.40 120.75 1pjz s VAL 195 Ca 0.32 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1pjz s VAL 195 Cb -0.10 -1.11 0.06 0.00 0.00 0.00 0.00 36.38 35.23 1pjz s VAL 195 CO 0.25 -0.39 0.22 -0.47 0.00 0.00 0.00 175.10 174.71 1pjz s TYR 196 N -1.76 -0.31 -0.53 5.22 5.04 -0.20 -0.91 117.35 123.90 1pjz s TYR 196 Ca -0.00 0.74 -0.25 0.00 -2.44 0.00 0.00 57.07 55.12 1pjz s TYR 196 Cb -0.07 -0.16 0.04 0.00 0.35 0.00 0.00 41.96 42.11 1pjz s TYR 196 CO 0.01 -0.35 0.96 0.08 -1.34 0.00 0.00 175.55 174.92 1pjz s VAL 197 N 2.36 4.37 -0.45 3.14 1.01 -0.12 -0.96 120.40 129.75 1pjz s VAL 197 Ca 0.03 0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 1pjz s VAL 197 Cb -0.12 -4.53 0.10 0.00 0.00 0.00 0.00 36.38 31.82 1pjz s VAL 197 CO -0.08 -1.07 0.32 -0.76 0.00 0.00 0.00 175.10 173.52 1pjz s LEU 198 N 4.00 5.47 -0.74 3.92 1.02 0.48 0.77 118.68 133.60 1pjz s LEU 198 Ca 0.33 -1.66 -0.26 0.00 0.02 0.00 0.00 54.13 52.56 1pjz s LEU 198 Cb -0.11 -2.03 0.01 0.00 0.02 0.00 0.00 46.19 44.08 1pjz s LEU 198 CO 0.22 -0.63 1.54 -1.61 0.02 0.00 0.00 176.35 175.89 1pjz s GLU 199 N 1.43 3.00 -0.52 1.70 2.02 0.22 0.59 118.70 127.16 1pjz s GLU 199 Ca 0.04 -0.07 -0.26 0.00 0.02 0.00 0.00 54.97 54.70 1pjz s GLU 199 Cb -0.25 -4.45 -0.05 0.00 0.10 0.00 0.00 34.13 29.48 1pjz s GLU 199 CO 0.02 -2.44 2.23 0.50 0.02 0.00 0.00 175.26 175.58 1pjz s ARG 200 N 6.17 2.31 0.00 1.61 3.00 0.17 -1.13 118.95 131.07 1pjz s ARG 200 Ca 0.49 1.19 0.30 0.00 -1.00 0.00 0.00 55.73 56.71 1pjz s ARG 200 Cb -0.08 -4.51 1.45 0.00 0.00 0.00 0.00 34.95 31.80 1pjz s ARG 200 CO 0.13 -3.06 1.97 1.33 0.00 0.00 0.00 175.30 175.67