#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 2.18 0.19 1.57 6.02 -1.26 -4.48 117.38 121.60 1pjz n GLN 2 Ca 0.00 -1.40 -0.12 0.00 -0.01 0.00 0.00 57.00 55.47 1pjz n GLN 2 Cb 0.00 -2.07 -0.07 0.00 1.02 0.00 0.00 30.24 29.12 1pjz n GLN 2 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1pjz h SER 3 N 3.08 -0.45 -2.41 1.08 0.02 -2.03 -3.41 113.55 109.43 1pjz h SER 3 Ca 0.27 -0.12 -0.57 0.00 -0.84 0.00 0.00 61.79 60.52 1pjz h SER 3 Cb 1.27 0.12 -0.38 0.00 0.14 0.00 0.00 62.40 63.55 1pjz h SER 3 CO 0.45 -0.04 -0.90 -1.83 -1.14 0.00 0.00 176.83 173.37 1pjz s GLU 4 N -4.26 0.74 -0.53 3.45 -1.05 -1.26 -5.03 118.70 110.76 1pjz s GLU 4 Ca -0.13 -1.71 0.05 0.00 -0.15 0.00 0.00 54.97 53.03 1pjz s GLU 4 Cb 0.02 -1.31 0.18 0.00 -0.44 0.00 0.00 34.13 32.58 1pjz s GLU 4 CO 0.46 -1.31 0.44 1.55 0.95 0.00 0.00 175.26 177.35 1pjz n VAL 5 N 3.41 0.04 -2.80 1.83 3.14 -1.26 -4.84 118.33 117.84 1pjz n VAL 5 Ca 0.21 -4.09 0.00 0.00 -2.96 0.00 0.00 64.34 57.50 1pjz n VAL 5 Cb 0.43 -1.89 0.00 0.00 -1.06 0.00 0.00 33.84 31.32 1pjz n VAL 5 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1pjz n ASN 6 N 2.27 -6.30 -0.32 6.55 3.02 -1.14 -3.44 115.26 115.90 1pjz n ASN 6 Ca 0.26 0.60 0.20 0.00 -0.03 0.00 0.00 54.58 55.61 1pjz n ASN 6 Cb 0.44 -1.38 0.48 0.00 -0.61 0.00 0.00 39.78 38.70 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 4.01 0.45 0.00 3.52 2.10 -1.95 1.77 116.57 126.47 1pjz h LYS 7 Ca 0.00 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.54 1pjz h LYS 7 Cb 0.44 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1pjz h LYS 7 CO 0.00 0.30 -0.38 -0.44 -2.00 0.00 0.00 179.45 176.92 1pjz h ASP 8 N 0.46 0.00 0.18 7.07 3.32 -1.96 0.20 116.42 125.68 1pjz h ASP 8 Ca 0.57 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.62 1pjz h ASP 8 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1pjz h ASP 8 CO -0.30 0.38 -0.09 0.25 -1.72 0.00 0.00 179.24 177.77 1pjz h LEU 9 N 0.00 -0.20 -2.03 1.55 7.12 0.24 -1.97 115.31 120.01 1pjz h LEU 9 Ca -0.00 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 1pjz h LEU 9 Cb 0.88 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.06 1pjz h LEU 9 CO 0.05 -0.04 -0.01 0.06 -0.13 0.00 0.00 178.44 178.38 1pjz h GLN 10 N -0.46 0.00 0.00 1.25 3.07 -1.08 -0.09 115.11 117.79 1pjz h GLN 10 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1pjz h GLN 10 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1pjz h GLN 10 CO 0.04 0.01 0.00 0.94 0.09 0.00 0.00 178.83 179.91 1pjz n GLN 11 N -4.47 0.00 -0.24 0.06 -0.06 0.69 -0.79 117.38 112.57 1pjz n GLN 11 Ca -0.03 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.93 1pjz n GLN 11 Cb 0.09 -0.55 0.01 0.00 -4.06 0.00 0.00 30.24 25.74 1pjz n GLN 11 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 1pjz h TYR 12 N 0.00 -0.97 -0.34 3.69 0.05 -1.43 0.17 116.97 118.15 1pjz h TYR 12 Ca 0.00 0.08 0.07 0.00 0.05 0.00 0.00 58.73 58.93 1pjz h TYR 12 Cb 0.00 0.52 -0.09 0.00 1.01 0.00 0.00 36.73 38.18 1pjz h TYR 12 CO 0.00 -0.39 -0.36 2.35 -1.05 0.00 0.00 178.16 178.71 1pjz h TRP 13 N -0.13 -1.02 -0.82 4.88 2.91 -1.14 3.82 115.95 124.44 1pjz h TRP 13 Ca 0.25 0.06 0.20 0.00 1.13 0.00 0.00 58.89 60.53 1pjz h TRP 13 Cb 0.56 0.50 -0.13 0.00 -0.51 0.00 0.00 29.16 29.57 1pjz h TRP 13 CO -0.68 -0.41 0.18 1.03 -1.03 0.00 0.00 178.44 177.52 1pjz h SER 14 N -0.32 -0.07 0.00 2.65 0.87 0.14 0.67 113.55 117.50 1pjz h SER 14 Ca 0.14 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1pjz h SER 14 Cb 0.56 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1pjz h SER 14 CO -0.51 -0.13 -0.06 -1.28 -0.53 0.00 0.00 176.83 174.31 1pjz h SER 15 N 0.21 0.06 -0.97 6.23 0.87 0.11 -3.31 113.55 116.74 1pjz h SER 15 Ca 0.49 -0.80 0.13 0.00 -1.23 0.00 0.00 61.79 60.38 1pjz h SER 15 Cb 0.93 -0.02 -0.14 0.00 -0.44 0.00 0.00 62.40 62.74 1pjz h SER 15 CO -0.62 0.85 -0.45 0.18 -0.53 0.00 0.00 176.83 176.25 1pjz n LEU 16 N -4.65 -0.78 -2.18 2.23 4.77 1.23 -4.80 117.00 112.82 1pjz n LEU 16 Ca -0.10 1.71 -0.15 0.00 -0.03 0.00 0.00 56.01 57.45 1pjz n LEU 16 Cb 0.42 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1pjz n LEU 16 CO 0.35 -1.48 0.07 -3.20 -1.33 0.00 0.00 177.39 171.79 1pjz n ASN 17 N -5.35 -4.58 -4.58 -1.43 2.85 0.09 -4.93 115.26 97.33 1pjz n ASN 17 Ca 0.07 -0.25 -0.42 0.00 -0.11 0.00 0.00 54.58 53.87 1pjz n ASN 17 Cb 0.34 -3.33 0.01 0.00 1.24 0.00 0.00 39.78 38.03 1pjz n ASN 17 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1pjz n VAL 18 N -4.06 2.25 -1.04 3.44 0.31 -1.26 -4.77 118.33 113.20 1pjz n VAL 18 Ca -0.04 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.45 1pjz n VAL 18 Cb 0.56 -1.02 -0.01 0.00 -0.91 0.00 0.00 33.84 32.46 1pjz n VAL 18 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1pjz n VAL 19 N -0.40 0.98 -2.31 2.52 3.14 -1.26 -4.68 118.33 116.31 1pjz n VAL 19 Ca 0.10 -0.39 -0.34 0.00 -2.96 0.00 0.00 64.34 60.75 1pjz n VAL 19 Cb 0.38 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.12 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 -0.77 3.08 0.00 1.45 0.04 -1.26 -1.92 135.00 135.61 1pjz s PRO 20 Ca 0.47 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.84 1pjz s PRO 20 Cb -0.60 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 28.77 1pjz s PRO 20 CO 0.46 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 175.15 1pjz n GLY 21 N 6.81 0.47 3.27 0.56 0.00 -0.37 -4.95 105.19 110.98 1pjz n GLY 21 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1pjz n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz n ALA 22 N 0.00 -3.44 -2.62 4.61 0.00 -0.81 -3.68 120.51 114.57 1pjz n ALA 22 Ca 0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.49 1pjz n ALA 22 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 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 -2.69 3.92 -0.47 0.00 1.81 -0.75 -1.59 118.95 119.17 1pjz s ARG 23 Ca 0.53 0.77 -0.11 0.00 -1.72 0.00 0.00 55.73 55.20 1pjz s ARG 23 Cb -0.25 -3.79 0.11 0.00 -0.45 0.00 0.00 34.95 30.57 1pjz s ARG 23 CO 0.71 -0.99 0.37 0.08 -0.68 0.00 0.00 175.30 174.79 1pjz s VAL 24 N 3.68 4.56 0.24 3.52 1.01 0.17 -1.69 120.40 131.88 1pjz s VAL 24 Ca 0.42 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 1pjz s VAL 24 Cb -0.11 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1pjz s VAL 24 CO 0.19 -0.71 0.48 -0.22 0.00 0.00 0.00 175.10 174.84 1pjz s LEU 25 N 1.46 4.14 -0.28 3.92 2.96 -0.41 0.29 118.68 130.77 1pjz s LEU 25 Ca 0.04 0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 54.55 1pjz s LEU 25 Cb -0.26 -3.39 0.17 0.00 0.50 0.00 0.00 46.19 43.21 1pjz s LEU 25 CO 0.02 -0.11 0.50 0.68 -1.32 0.00 0.00 176.35 176.12 1pjz s VAL 26 N -1.96 -0.83 0.14 1.68 -7.23 -0.93 -0.26 120.40 111.01 1pjz s VAL 26 Ca 0.42 -0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 60.24 1pjz s VAL 26 Cb -0.11 -0.93 -0.07 0.00 0.56 0.00 0.00 36.38 35.83 1pjz s VAL 26 CO 0.29 -0.07 1.13 -2.16 -0.31 0.00 0.00 175.10 173.98 1pjz s PRO 27 N 2.72 4.54 -0.32 4.82 0.04 -1.22 -1.21 135.00 144.37 1pjz s PRO 27 Ca 0.16 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 62.94 1pjz s PRO 27 Cb -0.15 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1pjz s PRO 27 CO -0.20 -0.04 0.00 1.47 0.04 0.00 0.00 177.00 178.28 1pjz n LEU 28 N 2.85 -0.19 0.06 -3.56 -0.00 -0.05 -4.42 117.00 111.69 1pjz n LEU 28 Ca 0.05 -0.26 -0.16 0.00 -0.00 0.00 0.00 56.01 55.64 1pjz n LEU 28 Cb 0.46 -0.32 -0.14 0.00 -0.00 0.00 0.00 43.42 43.42 1pjz n LEU 28 CO 0.54 0.09 -0.30 0.00 -0.00 0.00 0.00 177.39 177.73 1pjz n GLY 30 N 1.64 -0.92 3.79 0.00 0.00 -1.24 -4.71 105.19 103.75 1pjz n GLY 30 Ca -0.15 0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 1pjz n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pjz s LYS 31 N -4.69 2.20 0.00 1.61 1.02 -1.26 -4.96 119.74 113.66 1pjz s LYS 31 Ca 0.07 -2.28 0.00 0.00 0.02 0.00 0.00 55.97 53.78 1pjz s LYS 31 Cb -0.04 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1pjz s LYS 31 CO 0.68 -0.40 0.00 0.43 -0.92 0.00 0.00 175.35 175.14 1pjz n SER 32 N -1.37 0.57 0.04 2.83 7.64 -1.26 -4.76 113.62 117.31 1pjz n SER 32 Ca -0.14 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.64 1pjz n SER 32 Cb 0.66 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.78 1pjz n SER 32 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1pjz h GLN 33 N 0.00 -0.17 -0.38 1.43 1.08 -1.97 -0.94 115.11 114.16 1pjz h GLN 33 Ca 0.00 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1pjz h GLN 33 Cb 0.27 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.65 1pjz h GLN 33 CO 0.00 0.28 -0.48 0.22 -0.95 0.00 0.00 178.83 177.90 1pjz h ASP 34 N -0.86 -1.59 0.63 1.46 1.82 -1.90 0.53 116.42 116.51 1pjz h ASP 34 Ca -0.02 0.23 -0.03 0.00 -0.39 0.00 0.00 57.03 56.82 1pjz h ASP 34 Cb 0.54 0.67 -0.00 0.00 0.68 0.00 0.00 39.33 41.22 1pjz h ASP 34 CO 0.03 -0.39 -0.40 0.00 -1.61 0.00 0.00 179.24 176.87 1pjz h MET 35 N -0.37 -0.93 -1.52 0.28 -0.00 -1.86 0.01 114.93 110.53 1pjz h MET 35 Ca 0.11 0.06 0.44 0.00 -0.00 0.00 0.00 59.70 60.32 1pjz h MET 35 Cb 0.60 0.21 -0.07 0.00 -0.00 0.00 0.00 31.60 32.34 1pjz h MET 35 CO -0.57 -0.62 1.09 0.77 -0.00 0.00 0.00 176.91 177.57 1pjz h SER 36 N -0.97 0.03 -0.07 -0.10 0.02 -0.75 1.81 113.55 113.54 1pjz h SER 36 Ca -0.09 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 1pjz h SER 36 Cb 0.78 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1pjz h SER 36 CO 0.08 -0.01 -0.33 -0.25 -1.14 0.00 0.00 176.83 175.18 1pjz h TRP 37 N 0.02 0.47 0.34 3.45 7.01 0.93 -0.39 115.95 127.78 1pjz h TRP 37 Ca 0.74 -0.21 -0.02 0.00 2.11 0.00 0.00 58.89 61.52 1pjz h TRP 37 Cb 2.89 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 29.88 1pjz h TRP 37 CO -0.00 0.95 -0.18 -0.07 -2.79 0.00 0.00 178.44 176.34 1pjz h LEU 38 N -0.15 -0.45 -0.62 0.65 4.07 0.45 -2.54 115.31 116.73 1pjz h LEU 38 Ca -0.02 0.02 0.13 0.00 0.08 0.00 0.00 57.88 58.09 1pjz h LEU 38 Cb 0.99 0.12 -0.11 0.00 1.08 0.00 0.00 40.66 42.74 1pjz h LEU 38 CO 0.07 -0.30 -0.03 -1.28 -1.08 0.00 0.00 178.44 175.82 1pjz h SER 39 N -0.48 -0.34 -0.33 -0.43 0.87 -0.91 0.79 113.55 112.72 1pjz h SER 39 Ca -0.05 0.16 0.10 0.00 -1.23 0.00 0.00 61.79 60.77 1pjz h SER 39 Cb 0.38 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1pjz h SER 39 CO 0.06 -0.14 0.65 1.23 -0.53 0.00 0.00 176.83 178.11 1pjz h GLY 40 N 0.09 0.00 0.34 5.77 0.00 -0.93 0.60 103.07 108.94 1pjz h GLY 40 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.29 1pjz h GLY 40 CO -0.56 0.00 -2.19 -1.06 0.00 0.00 0.00 176.54 172.74 1pjz n GLN 41 N -3.16 0.68 0.00 4.80 1.13 0.26 -5.04 117.38 116.06 1pjz n GLN 41 Ca 0.06 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 1pjz n GLN 41 Cb 0.79 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 29.52 1pjz n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pjz n GLY 42 N 1.93 0.68 3.30 1.08 0.00 0.21 -4.92 105.19 107.47 1pjz n GLY 42 Ca -0.34 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.75 1.47 -0.96 1.61 1.51 -1.23 -1.24 117.35 117.76 1pjz s TYR 43 Ca 0.00 -1.25 -0.14 0.00 -1.01 0.00 0.00 57.07 54.67 1pjz s TYR 43 Cb 0.00 -0.82 0.20 0.00 -0.11 0.00 0.00 41.96 41.23 1pjz s TYR 43 CO 0.00 -0.42 1.01 -1.01 -1.11 0.00 0.00 175.55 174.02 1pjz s HIS 44 N -3.82 3.65 -0.79 2.71 3.76 -0.62 -4.58 115.29 115.60 1pjz s HIS 44 Ca 0.38 -1.98 -0.26 0.00 -0.15 0.00 0.00 55.06 53.05 1pjz s HIS 44 Cb 0.07 -4.01 0.02 0.00 1.11 0.00 0.00 32.58 29.77 1pjz s HIS 44 CO 0.14 -1.17 1.48 0.08 -0.85 0.00 0.00 174.74 174.42 1pjz s VAL 45 N 0.76 3.68 -0.49 -0.90 1.01 -1.25 0.41 120.40 123.62 1pjz s VAL 45 Ca 0.27 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.29 1pjz s VAL 45 Cb -0.08 -4.70 0.13 0.00 0.00 0.00 0.00 36.38 31.73 1pjz s VAL 45 CO -0.08 -1.63 0.27 -0.69 0.00 0.00 0.00 175.10 172.96 1pjz s VAL 46 N 6.51 3.11 0.34 2.92 1.01 0.14 -0.70 120.40 133.74 1pjz s VAL 46 Ca 0.46 -2.66 0.03 0.00 0.00 0.00 0.00 61.98 59.81 1pjz s VAL 46 Cb -0.07 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1pjz s VAL 46 CO 0.09 -0.76 0.10 -0.83 0.00 0.00 0.00 175.10 173.70 1pjz s GLY 47 N 0.87 2.19 0.26 4.51 0.00 0.34 -2.19 107.32 113.29 1pjz s GLY 47 Ca 0.13 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.16 1pjz s GLY 47 CO -0.04 -1.75 0.08 0.00 0.00 0.00 0.00 173.10 171.39 1pjz s ALA 48 N -3.40 1.79 -0.07 3.20 0.00 -0.35 -1.31 121.76 121.63 1pjz s ALA 48 Ca 0.32 -1.87 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1pjz s ALA 48 Cb 0.06 0.92 0.01 0.00 0.00 0.00 0.00 23.12 24.11 1pjz s ALA 48 CO 0.15 -0.41 -0.14 -2.00 0.00 0.00 0.00 175.76 173.36 1pjz s GLU 49 N -3.99 1.85 -1.15 0.00 -6.30 -0.12 -0.87 118.70 108.11 1pjz s GLU 49 Ca 0.36 -0.46 -0.06 0.00 -2.50 0.00 0.00 54.97 52.31 1pjz s GLU 49 Cb 0.08 -1.51 0.26 0.00 0.00 0.00 0.00 34.13 32.96 1pjz s GLU 49 CO 0.13 0.04 1.64 1.28 0.02 0.00 0.00 175.26 178.37 1pjz n LEU 50 N 3.78 6.55 -3.71 2.70 7.99 -1.21 0.34 117.00 133.45 1pjz n LEU 50 Ca -0.22 -5.02 -0.12 0.00 -0.01 0.00 0.00 56.01 50.63 1pjz n LEU 50 Cb 0.52 -1.34 -0.10 0.00 -0.11 0.00 0.00 43.42 42.39 1pjz n LEU 50 CO 0.26 1.60 0.11 -0.55 -1.51 0.00 0.00 177.39 177.29 1pjz s SER 51 N -0.89 -0.52 -0.25 -1.43 0.15 0.36 -4.98 113.70 106.15 1pjz s SER 51 Ca 0.34 0.93 -0.10 0.00 0.70 0.00 0.00 55.95 57.82 1pjz s SER 51 Cb 0.07 0.88 -0.15 0.00 -1.71 0.00 0.00 66.02 65.11 1pjz s SER 51 CO 0.07 -0.18 -0.20 -0.62 1.20 0.00 0.00 173.24 173.51 1pjz n GLU 52 N 3.54 0.62 -0.20 5.44 4.71 -1.26 -3.28 120.64 130.20 1pjz n GLU 52 Ca -0.18 0.27 -0.08 0.00 -0.01 0.00 0.00 57.16 57.16 1pjz n GLU 52 Cb 0.56 -1.54 0.02 0.00 -1.01 0.00 0.00 31.44 29.47 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 -0.59 0.73 -0.44 0.62 0.00 -1.98 -1.33 119.26 116.28 1pjz h ALA 53 Ca -0.61 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 1pjz h ALA 53 Cb 1.69 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1pjz h ALA 53 CO -0.27 0.39 0.20 0.00 0.00 0.00 0.00 179.25 179.57 1pjz h ALA 54 N 1.04 1.54 0.22 0.00 0.00 -1.99 0.13 119.26 120.21 1pjz h ALA 54 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1pjz h ALA 54 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pjz h ALA 54 CO -0.01 0.37 -0.11 0.28 0.00 0.00 0.00 179.25 179.78 1pjz h VAL 55 N 0.61 0.84 -0.75 0.00 2.07 -1.45 0.73 116.25 118.30 1pjz h VAL 55 Ca 0.15 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1pjz h VAL 55 Cb 0.08 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1pjz h VAL 55 CO -0.02 0.09 0.48 -0.33 0.02 0.00 0.00 177.57 177.81 1pjz h GLU 56 N -0.51 0.92 -0.74 1.57 4.39 -0.82 -0.82 114.58 118.55 1pjz h GLU 56 Ca -0.03 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1pjz h GLU 56 Cb 0.38 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1pjz h GLU 56 CO 0.05 0.61 0.38 -0.09 -1.16 0.00 0.00 179.01 178.80 1pjz h ARG 57 N 0.94 1.04 -0.62 2.33 2.43 -0.62 -0.29 114.38 119.60 1pjz h ARG 57 Ca 0.30 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1pjz h ARG 57 Cb -0.00 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1pjz h ARG 57 CO -0.10 0.78 0.08 1.88 -1.51 0.00 0.00 179.97 181.10 1pjz h TYR 58 N 1.04 1.11 -0.13 2.20 -1.99 0.18 0.24 116.97 119.62 1pjz h TYR 58 Ca 0.26 -0.16 -0.11 0.00 2.00 0.00 0.00 58.73 60.72 1pjz h TYR 58 Cb 0.06 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.48 1pjz h TYR 58 CO 0.01 0.96 -0.41 0.74 -0.00 0.00 0.00 178.16 179.46 1pjz h PHE 59 N 0.95 0.36 -0.01 4.88 -1.00 -0.64 0.92 116.94 122.39 1pjz h PHE 59 Ca 0.19 -0.10 -0.18 0.00 2.81 0.00 0.00 57.97 60.69 1pjz h PHE 59 Cb 0.46 -0.08 0.01 0.00 3.61 0.00 0.00 35.95 39.95 1pjz h PHE 59 CO 0.03 0.67 -0.69 0.00 -1.61 0.00 0.00 178.31 176.71 1pjz h THR 60 N 0.25 1.39 -0.11 -1.55 1.03 -0.76 0.46 112.91 113.63 1pjz h THR 60 Ca 0.02 -2.10 -0.02 0.00 -0.01 0.00 0.00 66.41 64.30 1pjz h THR 60 Cb 0.83 2.53 -0.00 0.00 -1.07 0.00 0.00 68.15 70.44 1pjz h THR 60 CO 0.07 0.62 0.00 -0.33 -0.01 0.00 0.00 175.52 175.87 1pjz h GLU 61 N 0.01 0.18 -0.12 0.00 4.39 -0.46 -3.09 114.58 115.50 1pjz h GLU 61 Ca -0.08 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.39 1pjz h GLU 61 Cb 1.39 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.01 1pjz h GLU 61 CO 0.14 0.42 -0.66 0.00 -1.16 0.00 0.00 179.01 177.75 1pjz h ARG 62 N -0.08 0.46 -1.40 2.33 3.08 -0.91 -3.48 114.38 114.38 1pjz h ARG 62 Ca 0.03 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 1pjz h ARG 62 Cb 0.34 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1pjz h ARG 62 CO 0.00 0.96 -0.12 0.41 -1.07 0.00 0.00 179.97 180.16 1pjz n GLY 63 N 0.43 0.50 0.28 0.04 0.00 0.16 -4.82 105.19 101.77 1pjz n GLY 63 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.36 -0.74 0.00 1.61 1.02 -0.93 -5.03 120.64 115.22 1pjz n GLU 64 Ca -0.02 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1pjz n GLU 64 Cb 0.52 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 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 -1.57 0.00 -1.02 3.49 1.13 -1.26 -5.13 117.38 113.02 1pjz n GLN 65 Ca 0.00 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 1pjz n GLN 65 Cb 0.07 0.00 0.16 0.00 0.11 0.00 0.00 30.24 30.58 1pjz n GLN 65 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1pjz n PRO 66 N 0.00 -1.68 -3.47 -1.09 -0.04 -1.26 -4.99 135.00 122.47 1pjz n PRO 66 Ca 0.00 -1.31 -0.41 0.00 -0.04 0.00 0.00 63.50 61.74 1pjz n PRO 66 Cb 0.00 -1.03 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.69 3.22 -0.18 0.54 2.46 -0.11 -4.95 115.29 113.59 1pjz s HIS 67 Ca 0.50 -0.28 -0.08 0.00 0.47 0.00 0.00 55.06 55.67 1pjz s HIS 67 Cb -0.03 -2.58 -0.04 0.00 -0.13 0.00 0.00 32.58 29.80 1pjz s HIS 67 CO 0.37 -0.46 0.09 0.42 -2.47 0.00 0.00 174.74 172.69 1pjz s ILE 68 N 1.80 5.07 0.15 0.89 -1.09 -1.25 -1.46 121.20 125.31 1pjz s ILE 68 Ca 0.07 0.07 0.07 0.00 -2.23 0.00 0.00 60.65 58.63 1pjz s ILE 68 Cb -0.18 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1pjz s ILE 68 CO 0.11 0.47 -0.16 0.28 -1.23 0.00 0.00 174.94 174.41 1pjz s THR 69 N 0.20 1.59 -0.36 2.92 -1.32 0.14 -4.94 115.64 113.87 1pjz s THR 69 Ca 0.06 -1.89 -0.01 0.00 -1.21 0.00 0.00 61.69 58.65 1pjz s THR 69 Cb -0.12 -1.75 0.09 0.00 -1.51 0.00 0.00 72.50 69.21 1pjz s THR 69 CO -0.00 -0.41 0.10 -0.55 -2.21 0.00 0.00 174.62 171.54 1pjz s SER 70 N -2.69 5.02 -1.06 8.08 0.15 -1.26 -0.58 113.70 121.35 1pjz s SER 70 Ca 0.14 -1.81 -0.15 0.00 0.70 0.00 0.00 55.95 54.83 1pjz s SER 70 Cb -0.04 -1.74 0.17 0.00 -1.71 0.00 0.00 66.02 62.69 1pjz s SER 70 CO 0.05 -0.41 1.24 -1.10 1.20 0.00 0.00 173.24 174.21 1pjz s GLN 71 N 1.12 3.87 0.84 5.44 1.11 0.57 -4.87 119.66 127.74 1pjz s GLN 71 Ca 0.04 -2.30 0.00 0.00 0.01 0.00 0.00 55.36 53.11 1pjz s GLN 71 Cb -0.21 -4.92 0.00 0.00 -1.01 0.00 0.00 33.01 26.87 1pjz s GLN 71 CO -0.04 -1.69 0.00 0.41 0.01 0.00 0.00 175.29 173.98 1pjz n GLY 72 N 4.54 0.24 0.77 3.09 0.00 -1.26 0.47 105.19 113.04 1pjz n GLY 72 Ca 0.29 0.68 0.06 0.00 0.00 0.00 0.00 46.02 47.05 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 1.78 1.57 -4.04 1.61 2.03 -1.26 -5.04 116.55 113.20 1pjz n ASP 73 Ca 0.00 -3.52 -0.16 0.00 0.52 0.00 0.00 54.79 51.63 1pjz n ASP 73 Cb 0.00 -0.48 -0.10 0.00 -0.72 0.00 0.00 41.12 39.82 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 -2.59 1.43 0.13 -0.67 0.08 0.18 -5.03 117.98 111.49 1pjz s PHE 74 Ca 0.37 -1.39 0.08 0.00 0.12 0.00 0.00 56.93 56.11 1pjz s PHE 74 Cb 0.37 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 42.07 1pjz s PHE 74 CO -0.09 -0.59 -0.18 0.21 -0.10 0.00 0.00 175.22 174.46 1pjz s LYS 75 N -3.94 1.15 -0.27 0.44 2.20 -1.26 -0.31 119.74 117.74 1pjz s LYS 75 Ca 0.38 -1.25 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 1pjz s LYS 75 Cb 0.06 -1.26 0.09 0.00 -1.51 0.00 0.00 37.83 35.21 1pjz s LYS 75 CO 0.16 0.27 0.09 0.08 -0.36 0.00 0.00 175.35 175.60 1pjz s VAL 76 N -1.64 0.45 -0.48 4.02 1.01 0.25 -1.43 120.40 122.59 1pjz s VAL 76 Ca 0.10 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1pjz s VAL 76 Cb -0.08 -1.25 0.11 0.00 0.00 0.00 0.00 36.38 35.16 1pjz s VAL 76 CO 0.05 -0.57 0.37 -0.47 0.00 0.00 0.00 175.10 174.48 1pjz s TYR 77 N 1.85 3.36 -0.12 5.22 6.14 0.35 -0.68 117.35 133.48 1pjz s TYR 77 Ca 0.07 -1.64 -0.05 0.00 0.64 0.00 0.00 57.07 56.08 1pjz s TYR 77 Cb -0.17 -3.46 -0.04 0.00 0.42 0.00 0.00 41.96 38.71 1pjz s TYR 77 CO -0.24 -0.97 0.08 0.00 0.64 0.00 0.00 175.55 175.06 1pjz s ALA 78 N 1.44 3.59 0.22 3.97 0.00 -0.54 -0.92 121.76 129.52 1pjz s ALA 78 Ca 0.05 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.37 1pjz s ALA 78 Cb -0.26 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1pjz s ALA 78 CO 0.01 0.53 0.01 0.00 0.00 0.00 0.00 175.76 176.31 1pjz s ALA 79 N -0.73 3.21 -0.39 0.00 0.00 -1.25 -0.94 121.76 121.67 1pjz s ALA 79 Ca 0.12 -1.51 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 1pjz s ALA 79 Cb -0.12 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1pjz s ALA 79 CO 0.03 0.36 1.40 -1.25 0.00 0.00 0.00 175.76 176.30 1pjz s PRO 80 N -3.36 3.64 0.00 0.00 0.04 -1.26 -3.51 135.00 130.55 1pjz s PRO 80 Ca 0.30 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1pjz s PRO 80 Cb -0.08 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1pjz s PRO 80 CO 0.20 -1.48 0.00 0.41 0.04 0.00 0.00 177.00 176.16 1pjz n GLY 81 N 4.94 3.15 3.73 0.56 0.00 -1.26 -5.08 105.19 111.22 1pjz n GLY 81 Ca 0.16 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 4.06 -0.97 -0.61 -1.16 -1.23 -4.97 121.20 116.32 1pjz s ILE 82 Ca 0.00 -1.38 -0.01 0.00 -0.51 0.00 0.00 60.65 58.75 1pjz s ILE 82 Cb 0.00 -3.10 0.33 0.00 0.61 0.00 0.00 42.46 40.30 1pjz s ILE 82 CO 0.00 -0.19 1.86 -0.62 -2.81 0.00 0.00 174.94 173.18 1pjz n GLU 83 N -0.49 4.67 -3.75 3.50 4.71 0.12 -3.95 120.64 125.45 1pjz n GLU 83 Ca -0.08 -4.36 -0.37 0.00 -0.01 0.00 0.00 57.16 52.33 1pjz n GLU 83 Cb 0.56 -2.41 -0.13 0.00 -1.01 0.00 0.00 31.44 28.46 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 -4.55 4.07 -0.44 -3.67 -1.09 -1.25 -0.50 121.20 113.76 1pjz s ILE 84 Ca 0.43 -0.58 -0.10 0.00 -2.23 0.00 0.00 60.65 58.16 1pjz s ILE 84 Cb 0.26 -3.06 0.09 0.00 -1.58 0.00 0.00 42.46 38.17 1pjz s ILE 84 CO -0.21 0.12 0.31 -1.66 -1.23 0.00 0.00 174.94 172.27 1pjz s TRP 85 N 1.53 3.35 0.27 3.97 1.48 -0.43 -3.53 118.94 125.58 1pjz s TRP 85 Ca 0.03 -1.54 -0.29 0.00 -1.06 0.00 0.00 56.10 53.24 1pjz s TRP 85 Cb -0.17 -3.15 -0.09 0.00 -1.16 0.00 0.00 33.47 28.89 1pjz s TRP 85 CO 0.03 -0.89 1.09 0.00 -4.06 0.00 0.00 176.95 173.12 1pjz n GLY 87 N 1.25 1.11 3.32 0.00 0.00 0.15 -0.49 105.19 110.53 1pjz n GLY 87 Ca -0.01 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 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 2.01 -0.35 1.61 2.15 -0.51 -0.49 116.67 117.09 1pjz s ASP 88 Ca 0.00 -1.15 0.04 0.00 0.43 0.00 0.00 52.55 51.87 1pjz s ASP 88 Cb 0.00 -0.03 0.10 0.00 -0.30 0.00 0.00 42.92 42.69 1pjz s ASP 88 CO 0.00 -0.42 0.06 0.12 -0.17 0.00 0.00 175.17 174.77 1pjz s PHE 89 N -3.31 3.75 0.00 -5.34 5.36 -1.26 -4.48 117.98 112.71 1pjz s PHE 89 Ca 0.25 -2.98 0.00 0.00 -0.96 0.00 0.00 56.93 53.24 1pjz s PHE 89 Cb 0.04 -2.94 0.00 0.00 -0.34 0.00 0.00 43.02 39.78 1pjz s PHE 89 CO 0.07 -0.95 0.00 0.34 -1.46 0.00 0.00 175.22 173.22 1pjz n PHE 90 N 4.25 0.00 0.00 10.12 -0.00 -1.26 -5.03 117.46 125.54 1pjz n PHE 90 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 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 0.00 -0.65 3.13 0.00 -1.26 -4.97 120.51 116.75 1pjz n ALA 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pjz n ALA 91 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pjz n ALA 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pjz n LEU 92 N 0.00 0.00 -3.28 0.00 -0.00 -1.26 -5.08 117.00 107.38 1pjz n LEU 92 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.80 1pjz n LEU 92 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 1pjz n LEU 92 CO 0.00 0.00 -0.32 0.41 -0.00 0.00 0.00 177.39 177.48 1pjz n THR 93 N 0.00 -4.76 0.09 1.47 -1.04 -1.26 -4.39 114.28 104.39 1pjz n THR 93 Ca 0.00 0.43 0.05 0.00 -2.04 0.00 0.00 64.05 62.50 1pjz n THR 93 Cb 0.16 -4.06 0.29 0.00 -1.82 0.00 0.00 70.33 64.90 1pjz n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pjz n ALA 94 N 0.32 0.93 -0.06 2.41 0.00 -1.24 -1.13 120.51 121.73 1pjz n ALA 94 Ca -0.03 0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 1pjz n ALA 94 Cb 0.55 -1.06 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 1pjz n ALA 94 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1pjz h ARG 95 N 0.00 -0.00 0.25 0.00 2.43 0.34 0.46 114.38 117.86 1pjz h ARG 95 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1pjz h ARG 95 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1pjz h ARG 95 CO 0.00 0.90 -0.12 0.22 -1.51 0.00 0.00 179.97 179.46 1pjz h ASP 96 N -0.94 -0.29 -0.22 -3.80 3.58 -1.38 -0.22 116.42 113.15 1pjz h ASP 96 Ca -0.00 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 1pjz h ASP 96 Cb 0.91 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 1pjz h ASP 96 CO 0.00 -0.14 -0.08 0.16 -2.88 0.00 0.00 179.24 176.30 1pjz h ILE 97 N -0.42 1.30 0.00 2.25 -0.00 -1.52 -3.34 117.51 115.78 1pjz h ILE 97 Ca -0.03 -1.12 0.00 0.00 -0.00 0.00 0.00 64.86 63.70 1pjz h ILE 97 Cb 0.32 1.57 0.00 0.00 -0.00 0.00 0.00 36.82 38.71 1pjz h ILE 97 CO 0.06 0.34 0.00 0.61 -0.00 0.00 0.00 178.15 179.16 1pjz n GLY 98 N -0.07 -3.19 5.22 0.16 0.00 0.16 -4.61 105.19 102.85 1pjz n GLY 98 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1pjz n GLY 98 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pjz n HIS 99 N -1.14 0.00 -3.82 1.61 8.25 -0.10 -4.28 115.22 115.74 1pjz n HIS 99 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1pjz n HIS 99 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pjz n ALA 101 N 2.77 0.00 -3.64 0.00 0.00 -0.07 -1.81 120.51 117.76 1pjz n ALA 101 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 1pjz n ALA 101 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 1pjz n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz s ALA 102 N -1.00 -1.51 -0.23 0.00 0.00 -0.68 -0.35 121.76 117.98 1pjz s ALA 102 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.16 1pjz s ALA 102 Cb 0.00 0.76 0.12 0.00 0.00 0.00 0.00 23.12 24.00 1pjz s ALA 102 CO 0.00 -0.90 0.32 -0.59 0.00 0.00 0.00 175.76 174.60 1pjz s PHE 103 N -3.63 -0.63 0.30 0.00 -0.12 -0.00 -1.28 117.98 112.60 1pjz s PHE 103 Ca 0.07 0.58 0.06 0.00 -0.05 0.00 0.00 56.93 57.58 1pjz s PHE 103 Cb -0.03 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.21 1pjz s PHE 103 CO -0.03 -0.70 0.42 0.71 -0.05 0.00 0.00 175.22 175.57 1pjz s TYR 104 N 2.47 3.24 0.19 3.49 1.51 0.64 -0.86 117.35 128.03 1pjz s TYR 104 Ca 0.11 -0.14 -0.18 0.00 -1.01 0.00 0.00 57.07 55.84 1pjz s TYR 104 Cb -0.15 -1.81 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1pjz s TYR 104 CO -0.16 0.18 0.54 -0.51 -1.11 0.00 0.00 175.55 174.50 1pjz s ASP 105 N -4.09 -0.31 0.44 2.29 1.11 -0.34 -3.44 116.67 112.33 1pjz s ASP 105 Ca 0.40 -0.41 0.06 0.00 0.18 0.00 0.00 52.55 52.78 1pjz s ASP 105 Cb -0.09 0.59 -0.06 0.00 1.07 0.00 0.00 42.92 44.43 1pjz s ASP 105 CO 0.30 -1.05 0.03 0.00 1.18 0.00 0.00 175.17 175.63 1pjz s ARG 106 N -3.85 2.05 -0.53 8.23 1.04 -1.26 -0.09 118.95 124.53 1pjz s ARG 106 Ca 0.08 -2.16 -0.42 0.00 -1.04 0.00 0.00 55.73 52.19 1pjz s ARG 106 Cb -0.01 -1.65 -0.18 0.00 -2.04 0.00 0.00 34.95 31.07 1pjz s ARG 106 CO -0.04 -0.14 2.19 0.00 -0.04 0.00 0.00 175.30 177.27 1pjz n ALA 107 N -1.08 0.32 0.16 7.88 0.00 0.44 -4.55 120.51 123.68 1pjz n ALA 107 Ca -0.08 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1pjz n ALA 107 Cb 0.67 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 8.05 2.57 0.26 0.00 0.00 -1.26 -4.86 120.51 125.26 1pjz n ALA 108 Ca 0.54 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.10 1pjz n ALA 108 Cb -0.00 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.15 1pjz n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz h MET 109 N 0.00 0.00 0.00 0.00 -0.00 -1.92 -1.29 114.93 111.71 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 0.13 0.00 -0.84 -0.00 0.00 0.00 176.91 176.20 1pjz h ILE 110 N 0.00 0.00 0.00 -0.10 -2.65 -1.89 -2.85 117.51 110.02 1pjz h ILE 110 Ca -0.00 -0.04 0.00 0.00 1.03 0.00 0.00 64.86 65.85 1pjz h ILE 110 Cb 0.36 1.03 0.00 0.00 -2.05 0.00 0.00 36.82 36.15 1pjz h ILE 110 CO 0.02 0.00 -0.04 0.00 0.03 0.00 0.00 178.15 178.16 1pjz h ALA 111 N 2.00 0.00 -2.06 0.16 0.00 -1.46 0.87 119.26 118.78 1pjz h ALA 111 Ca 0.00 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.38 1pjz h ALA 111 Cb 0.04 0.04 0.22 0.00 0.00 0.00 0.00 17.79 18.09 1pjz h ALA 111 CO 0.00 0.04 -0.37 1.47 0.00 0.00 0.00 179.25 180.38 1pjz n LEU 112 N -3.67 -0.30 0.00 0.00 -0.00 -1.07 -4.86 117.00 107.09 1pjz n LEU 112 Ca -0.01 0.10 -0.30 0.00 -0.00 0.00 0.00 56.01 55.81 1pjz n LEU 112 Cb 0.02 -1.22 0.23 0.00 -0.00 0.00 0.00 43.42 42.45 1pjz n LEU 112 CO 0.01 -3.08 0.75 -0.81 -0.00 0.00 0.00 177.39 174.25 1pjz n PRO 113 N -3.26 -2.19 0.23 1.47 -0.04 -1.26 -4.67 135.00 125.27 1pjz n PRO 113 Ca 0.05 -1.90 -0.09 0.00 -0.04 0.00 0.00 63.50 61.53 1pjz n PRO 113 Cb 0.55 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.25 -1.14 -0.96 0.55 0.00 -1.94 0.91 119.26 114.42 1pjz h ALA 114 Ca -0.42 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.51 1pjz h ALA 114 Cb 1.21 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 19.07 1pjz h ALA 114 CO 0.29 -1.10 -0.38 -3.47 0.00 0.00 0.00 179.25 174.58 1pjz n ASP 115 N -3.55 -0.64 -0.03 0.00 -0.08 -1.26 0.56 116.55 111.55 1pjz n ASP 115 Ca -0.07 1.68 -0.11 0.00 -1.51 0.00 0.00 54.79 54.78 1pjz n ASP 115 Cb 0.23 -0.38 -0.04 0.00 2.34 0.00 0.00 41.12 43.26 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1pjz h MET 116 N 0.00 0.22 -0.61 -0.67 4.05 -1.90 -0.91 114.93 115.11 1pjz h MET 116 Ca 0.33 -0.02 0.13 0.00 -0.28 0.00 0.00 59.70 59.85 1pjz h MET 116 Cb 0.57 -0.05 -0.11 0.00 -0.80 0.00 0.00 31.60 31.21 1pjz h MET 116 CO -0.95 0.19 -0.04 0.00 0.23 0.00 0.00 176.91 176.33 1pjz h ARG 117 N 0.19 0.08 -0.75 0.39 3.08 0.63 0.56 114.38 118.56 1pjz h ARG 117 Ca 0.06 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1pjz h ARG 117 Cb 0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1pjz h ARG 117 CO -0.01 0.05 0.24 0.93 -1.07 0.00 0.00 179.97 180.11 1pjz h GLU 118 N 0.08 1.16 0.00 0.04 5.08 -0.22 -0.11 114.58 120.60 1pjz h GLU 118 Ca 0.31 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1pjz h GLU 118 Cb 0.50 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1pjz h GLU 118 CO -0.55 0.98 -0.22 0.00 -1.00 0.00 0.00 179.01 178.22 1pjz h ARG 119 N 1.11 0.00 0.15 2.33 2.47 0.70 0.48 114.38 121.61 1pjz h ARG 119 Ca 0.24 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.66 1pjz h ARG 119 Cb 0.30 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.65 1pjz h ARG 119 CO -0.01 0.22 -1.28 -0.92 0.56 0.00 0.00 179.97 178.54 1pjz h TYR 120 N 0.00 1.01 -0.46 3.04 3.20 0.77 -1.32 116.97 123.21 1pjz h TYR 120 Ca -0.00 -0.65 -0.10 0.00 3.14 0.00 0.00 58.73 61.12 1pjz h TYR 120 Cb 0.41 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1pjz h TYR 120 CO 0.00 1.49 -0.10 -0.39 -1.64 0.00 0.00 178.16 177.52 1pjz h VAL 121 N 0.24 1.27 -0.03 1.81 -1.51 -0.67 0.90 116.25 118.26 1pjz h VAL 121 Ca -0.20 -1.22 -0.01 0.00 -1.23 0.00 0.00 66.70 64.04 1pjz h VAL 121 Cb 1.96 1.12 -0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1pjz h VAL 121 CO 0.24 0.42 -0.01 0.06 -1.23 0.00 0.00 177.57 177.06 1pjz h GLN 122 N 0.71 0.06 -0.65 5.19 3.07 -0.99 0.24 115.11 122.74 1pjz h GLN 122 Ca 0.12 -0.02 0.04 0.00 0.09 0.00 0.00 58.65 58.87 1pjz h GLN 122 Cb 0.64 -0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.15 1pjz h GLN 122 CO 0.04 0.39 0.40 0.45 0.09 0.00 0.00 178.83 180.20 1pjz h HIS 123 N -0.28 0.74 0.39 0.06 3.86 -1.19 0.29 115.15 119.00 1pjz h HIS 123 Ca 0.01 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1pjz h HIS 123 Cb 0.37 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1pjz h HIS 123 CO 0.05 0.40 -0.19 1.25 0.86 0.00 0.00 177.93 180.31 1pjz h LEU 124 N 0.76 -0.44 -2.32 2.43 7.12 -0.72 -1.22 115.31 120.92 1pjz h LEU 124 Ca 0.27 -0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.24 1pjz h LEU 124 Cb 0.06 0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.30 1pjz h LEU 124 CO -0.12 -0.18 0.19 -0.33 -0.13 0.00 0.00 178.44 177.87 1pjz h GLU 125 N -0.69 0.00 0.12 1.25 4.39 -0.17 2.50 114.58 121.98 1pjz h GLU 125 Ca -0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1pjz h GLU 125 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1pjz h GLU 125 CO 0.09 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.88 1pjz h ALA 126 N 1.73 -0.16 -0.00 3.43 0.00 0.23 -3.17 119.26 121.31 1pjz h ALA 126 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1pjz h ALA 126 Cb 0.45 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pjz h ALA 126 CO -0.00 -0.27 -0.09 1.47 0.00 0.00 0.00 179.25 180.36 1pjz n LEU 127 N -4.89 0.54 -4.45 0.00 -0.00 -0.50 -4.89 117.00 102.82 1pjz n LEU 127 Ca -0.08 -0.06 -0.30 0.00 -0.00 0.00 0.00 56.01 55.58 1pjz n LEU 127 Cb 0.28 -0.14 0.26 0.00 -0.00 0.00 0.00 43.42 43.82 1pjz n LEU 127 CO 0.27 0.10 0.50 -0.04 -0.00 0.00 0.00 177.39 178.22 1pjz s MET 128 N -2.36 -1.78 0.00 1.47 -1.94 0.83 0.26 119.30 115.79 1pjz s MET 128 Ca 0.32 0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.60 1pjz s MET 128 Cb 0.20 -1.50 0.00 0.00 2.01 0.00 0.00 34.83 35.54 1pjz s MET 128 CO 0.45 -4.16 0.00 -0.35 -0.01 0.00 0.00 175.02 170.95 1pjz n PRO 129 N -5.14 1.31 -0.03 2.03 -0.04 -1.25 -4.15 135.00 127.72 1pjz n PRO 129 Ca 0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1pjz n PRO 129 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.33 -3.45 0.54 7.27 -0.13 -4.85 117.38 117.09 1pjz n GLN 130 Ca 0.00 0.04 -0.25 0.00 0.07 0.00 0.00 57.00 56.85 1pjz n GLN 130 Cb 0.00 -1.14 -0.11 0.00 2.41 0.00 0.00 30.24 31.40 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 -2.14 0.44 -0.05 1.69 0.00 -0.71 -4.00 121.76 116.99 1pjz s ALA 131 Ca -0.09 -1.36 -0.19 0.00 0.00 0.00 0.00 51.96 50.32 1pjz s ALA 131 Cb 0.02 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.51 1pjz s ALA 131 CO 0.16 -1.98 0.43 0.00 0.00 0.00 0.00 175.76 174.37 1pjz s SER 133 N -1.07 6.24 0.23 0.00 1.04 0.52 0.50 113.70 121.17 1pjz s SER 133 Ca -0.11 -0.35 -0.07 0.00 0.48 0.00 0.00 55.95 55.90 1pjz s SER 133 Cb -0.04 -2.24 -0.06 0.00 0.10 0.00 0.00 66.02 63.78 1pjz s SER 133 CO 0.05 -0.51 0.52 -0.83 0.98 0.00 0.00 173.24 173.44 1pjz s GLY 134 N 1.80 2.13 -0.24 7.32 0.00 0.18 -0.82 107.32 117.68 1pjz s GLY 134 Ca 0.15 -0.43 -0.03 0.00 0.00 0.00 0.00 44.72 44.41 1pjz s GLY 134 CO 0.14 -0.31 0.19 -2.27 0.00 0.00 0.00 173.10 170.85 1pjz s LEU 135 N -3.03 0.12 0.13 0.66 0.20 -0.04 -0.26 118.68 116.46 1pjz s LEU 135 Ca 0.45 -0.72 -0.20 0.00 0.69 0.00 0.00 54.13 54.35 1pjz s LEU 135 Cb -0.11 0.10 -0.07 0.00 -0.43 0.00 0.00 46.19 45.68 1pjz s LEU 135 CO 0.25 -0.38 0.65 -0.22 -0.29 0.00 0.00 176.35 176.36 1pjz s LEU 136 N 2.24 4.49 -0.29 -0.68 2.96 0.13 -1.20 118.68 126.32 1pjz s LEU 136 Ca 0.07 1.37 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 1pjz s LEU 136 Cb -0.15 -3.17 0.08 0.00 0.50 0.00 0.00 46.19 43.44 1pjz s LEU 136 CO -0.24 0.19 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.31 1pjz s ILE 137 N -1.24 2.13 0.47 6.68 -1.09 0.86 -0.99 121.20 128.03 1pjz s ILE 137 Ca 0.34 -1.86 0.04 0.00 -2.23 0.00 0.00 60.65 56.94 1pjz s ILE 137 Cb -0.19 -2.38 -0.03 0.00 -1.58 0.00 0.00 42.46 38.28 1pjz s ILE 137 CO 0.21 -0.26 0.07 0.42 -1.23 0.00 0.00 174.94 174.15 1pjz s THR 138 N 1.06 1.60 0.25 2.92 -4.23 0.17 0.17 115.64 117.56 1pjz s THR 138 Ca -0.01 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1pjz s THR 138 Cb -0.19 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 1pjz s THR 138 CO -0.07 0.00 0.25 -0.76 -0.54 0.00 0.00 174.62 173.50 1pjz s LEU 139 N -3.88 1.11 0.00 4.79 1.02 -1.26 -0.40 118.68 120.07 1pjz s LEU 139 Ca 0.21 -1.39 0.00 0.00 0.02 0.00 0.00 54.13 52.97 1pjz s LEU 139 Cb 0.04 0.75 0.00 0.00 0.02 0.00 0.00 46.19 46.99 1pjz s LEU 139 CO 0.12 -0.98 0.00 1.21 0.02 0.00 0.00 176.35 176.72 1pjz n GLU 140 N -0.38 0.00 0.00 1.70 2.13 -0.42 -3.53 120.64 120.13 1pjz n GLU 140 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1pjz n GLU 140 Cb 0.64 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.35 1pjz n GLU 140 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1pjz n TYR 141 N -1.16 0.00 -0.46 4.31 4.02 -1.26 -4.44 117.16 118.18 1pjz n TYR 141 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 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 -0.43 -0.68 0.00 7.72 5.75 -1.26 -4.67 116.55 122.98 1pjz n ASP 142 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 1pjz n ASP 142 Cb 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1pjz n ASP 142 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pjz n GLN 143 N 0.39 0.00 -2.38 0.11 10.64 -1.26 -4.00 117.38 120.89 1pjz n GLN 143 Ca 0.05 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 55.00 1pjz n GLN 143 Cb 0.11 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.50 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 4.72 0.00 2.61 0.00 -1.26 -4.21 120.51 122.37 1pjz n ALA 144 Ca 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.51 1pjz n ALA 144 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.52 0.00 -4.89 0.00 -0.00 -1.26 -5.14 117.00 105.19 1pjz n LEU 145 Ca 0.35 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 56.07 1pjz n LEU 145 Cb 0.78 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.17 1pjz n LEU 145 CO 0.33 0.00 0.32 -0.22 -0.00 0.00 0.00 177.39 177.82 1pjz s LEU 146 N 0.00 3.93 -0.44 1.47 0.20 -1.26 -4.86 118.68 117.72 1pjz s LEU 146 Ca 0.00 0.90 -0.31 0.00 0.69 0.00 0.00 54.13 55.41 1pjz s LEU 146 Cb 0.00 -3.76 -0.11 0.00 -0.43 0.00 0.00 46.19 41.90 1pjz s LEU 146 CO 0.00 -0.31 2.31 -0.62 -0.29 0.00 0.00 176.35 177.44 1pjz n GLU 147 N -1.21 1.09 -1.29 1.98 -0.58 -1.26 -4.47 120.64 114.90 1pjz n GLU 147 Ca 0.00 0.23 0.01 0.00 -0.42 0.00 0.00 57.16 56.98 1pjz n GLU 147 Cb 0.54 -2.71 -0.01 0.00 -0.57 0.00 0.00 31.44 28.69 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 6.29 -3.81 3.62 0.62 0.00 -1.26 -4.72 105.19 105.92 1pjz n GLY 148 Ca 0.41 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -5.09 3.75 -0.51 1.61 0.04 -1.26 -4.64 135.00 128.90 1pjz s PRO 149 Ca 0.00 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 61.89 1pjz s PRO 149 Cb 0.00 -3.96 0.01 0.00 0.04 0.00 0.00 34.50 30.59 1pjz s PRO 149 CO 0.00 -1.34 1.47 -1.25 0.04 0.00 0.00 177.00 175.92 1pjz s PRO 150 N 4.56 3.33 -1.17 0.56 0.04 -1.26 -4.51 135.00 136.55 1pjz s PRO 150 Ca 0.60 0.66 -0.21 0.00 0.04 0.00 0.00 61.00 62.09 1pjz s PRO 150 Cb -0.16 -4.12 0.01 0.00 0.04 0.00 0.00 34.50 30.27 1pjz s PRO 150 CO 0.28 -1.89 1.77 0.12 0.04 0.00 0.00 177.00 177.32 1pjz s PHE 151 N 6.15 2.38 -0.33 0.56 2.19 0.30 -4.55 117.98 124.69 1pjz s PHE 151 Ca 0.58 -0.62 -0.16 0.00 0.33 0.00 0.00 56.93 57.06 1pjz s PHE 151 Cb -0.12 -4.45 -0.09 0.00 -1.31 0.00 0.00 43.02 37.05 1pjz s PHE 151 CO 0.27 -1.65 1.05 -1.13 1.83 0.00 0.00 175.22 175.59 1pjz n SER 152 N 10.86 0.22 -4.68 6.13 3.41 -1.23 -4.72 113.62 123.60 1pjz n SER 152 Ca 0.44 0.18 -0.43 0.00 -0.26 0.00 0.00 58.87 58.80 1pjz n SER 152 Cb 0.47 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1pjz n SER 152 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pjz s VAL 153 N 3.28 4.57 -0.14 -3.33 1.01 -1.26 -4.99 120.40 119.54 1pjz s VAL 153 Ca 0.55 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 64.11 1pjz s VAL 153 Cb -0.59 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.56 1pjz s VAL 153 CO 0.25 -0.05 1.26 -2.16 0.00 0.00 0.00 175.10 174.39 1pjz s PRO 154 N 2.49 4.25 0.52 2.72 0.04 -1.26 -4.88 135.00 138.89 1pjz s PRO 154 Ca 0.50 1.68 0.40 0.00 0.04 0.00 0.00 61.00 63.62 1pjz s PRO 154 Cb -0.19 -3.73 1.58 0.00 0.04 0.00 0.00 34.50 32.20 1pjz s PRO 154 CO 0.16 -0.66 1.68 1.96 0.04 0.00 0.00 177.00 180.18 1pjz h GLN 155 N 8.09 0.04 -0.66 4.56 7.50 -1.96 1.77 115.11 134.45 1pjz h GLN 155 Ca -0.28 -0.00 -0.05 0.00 0.50 0.00 0.00 58.65 58.81 1pjz h GLN 155 Cb 1.12 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 28.61 1pjz h GLN 155 CO 0.95 0.03 0.20 0.00 -1.50 0.00 0.00 178.83 178.51 1pjz h THR 156 N 0.04 1.24 0.57 -0.54 1.03 -1.98 -1.26 112.91 112.02 1pjz h THR 156 Ca 0.76 -0.85 -0.03 0.00 -0.01 0.00 0.00 66.41 66.29 1pjz h THR 156 Cb 2.88 0.53 0.01 0.00 -1.07 0.00 0.00 68.15 70.49 1pjz h THR 156 CO -0.10 0.33 -0.27 -0.25 -0.01 0.00 0.00 175.52 175.21 1pjz h TRP 157 N 0.97 -0.71 -0.70 0.00 7.01 0.23 0.52 115.95 123.27 1pjz h TRP 157 Ca 0.21 -0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.35 1pjz h TRP 157 Cb 0.28 0.24 -0.12 0.00 -2.10 0.00 0.00 29.16 27.46 1pjz h TRP 157 CO 0.02 -0.41 0.06 -0.07 -2.79 0.00 0.00 178.44 175.25 1pjz h LEU 158 N -0.85 -0.21 -1.55 0.65 3.38 -1.30 1.68 115.31 117.12 1pjz h LEU 158 Ca -0.08 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1pjz h LEU 158 Cb 0.62 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1pjz h LEU 158 CO 0.13 -0.11 -0.07 -0.74 0.09 0.00 0.00 178.44 177.73 1pjz h HIS 159 N 0.16 0.00 0.00 1.13 2.76 -0.88 4.26 115.15 122.58 1pjz h HIS 159 Ca 0.38 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.45 1pjz h HIS 159 Cb 0.66 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 1pjz h HIS 159 CO -0.35 0.07 -0.56 0.07 -1.30 0.00 0.00 177.93 175.86 1pjz h ARG 160 N 0.00 0.00 0.00 5.26 0.11 0.74 -2.87 114.38 117.62 1pjz h ARG 160 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1pjz h ARG 160 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1pjz h ARG 160 CO 0.01 0.48 -0.31 1.55 0.10 0.00 0.00 179.97 181.80 1pjz n VAL 161 N -3.20 1.25 1.06 0.08 3.14 0.15 -4.60 118.33 116.22 1pjz n VAL 161 Ca 0.01 0.31 0.04 0.00 -2.96 0.00 0.00 64.34 61.74 1pjz n VAL 161 Cb 0.74 -1.80 0.22 0.00 -1.06 0.00 0.00 33.84 31.93 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 -3.74 0.53 0.00 1.45 2.81 1.40 -4.17 117.12 115.39 1pjz n MET 162 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1pjz n MET 162 Cb 0.16 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1pjz n MET 162 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1pjz n SER 163 N -0.72 0.00 -4.54 7.83 7.64 -0.89 -2.90 113.62 120.04 1pjz n SER 163 Ca 0.05 0.63 -0.43 0.00 1.01 0.00 0.00 58.87 60.13 1pjz n SER 163 Cb 0.03 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.02 1pjz n SER 163 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1pjz s GLY 164 N -0.32 1.56 0.00 0.23 0.00 -1.26 -3.90 107.32 103.63 1pjz s GLY 164 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1pjz s GLY 164 CO 0.00 1.84 0.00 0.70 0.00 0.00 0.00 173.10 175.64 1pjz n ASN 165 N 6.84 0.00 -3.73 1.64 3.02 -1.25 -5.09 115.26 116.69 1pjz n ASN 165 Ca 0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.45 1pjz n ASN 165 Cb 0.48 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.52 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 1pjz s TRP 166 N 0.00 -0.33 -1.12 3.10 -2.14 -1.14 -1.42 118.94 115.89 1pjz s TRP 166 Ca 0.00 0.78 -0.22 0.00 2.66 0.00 0.00 56.10 59.32 1pjz s TRP 166 Cb 0.00 0.05 -0.02 0.00 -3.10 0.00 0.00 33.47 30.41 1pjz s TRP 166 CO 0.00 -0.23 1.81 -1.21 -2.66 0.00 0.00 176.95 174.66 1pjz s GLU 167 N 1.16 3.05 0.13 3.25 2.02 -0.29 -4.47 118.70 123.55 1pjz s GLU 167 Ca -0.08 -1.16 -0.31 0.00 0.02 0.00 0.00 54.97 53.44 1pjz s GLU 167 Cb -0.10 -5.29 -0.07 0.00 0.10 0.00 0.00 34.13 28.77 1pjz s GLU 167 CO -0.08 -3.13 1.28 0.14 0.02 0.00 0.00 175.26 173.49 1pjz s VAL 168 N 8.15 3.54 0.06 2.63 -7.23 -1.25 -1.13 120.40 125.17 1pjz s VAL 168 Ca 0.62 1.17 0.04 0.00 -1.81 0.00 0.00 61.98 62.00 1pjz s VAL 168 Cb -0.01 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.16 1pjz s VAL 168 CO 0.05 0.13 -0.12 0.28 -0.31 0.00 0.00 175.10 175.12 1pjz s THR 169 N 0.65 0.96 0.20 5.32 -1.32 0.19 -4.86 115.64 116.79 1pjz s THR 169 Ca 0.59 -1.15 -0.30 0.00 -1.21 0.00 0.00 61.69 59.62 1pjz s THR 169 Cb -0.34 -0.93 -0.08 0.00 -1.51 0.00 0.00 72.50 69.64 1pjz s THR 169 CO 0.33 -0.20 1.07 -0.75 -2.21 0.00 0.00 174.62 172.86 1pjz s LYS 170 N -1.51 4.65 0.22 7.08 2.20 -1.26 -0.82 119.74 130.30 1pjz s LYS 170 Ca -0.03 1.68 -0.23 0.00 -0.36 0.00 0.00 55.97 57.04 1pjz s LYS 170 Cb -0.09 -3.27 0.04 0.00 -1.51 0.00 0.00 37.83 33.00 1pjz s LYS 170 CO 0.02 0.18 0.84 0.54 -0.36 0.00 0.00 175.35 176.56 1pjz s VAL 171 N -0.55 0.00 0.00 4.02 0.11 0.52 -4.82 120.40 119.67 1pjz s VAL 171 Ca 0.47 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 1pjz s VAL 171 Cb -0.29 -2.03 0.00 0.00 -1.53 0.00 0.00 36.38 32.53 1pjz s VAL 171 CO 0.35 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 1pjz n GLY 172 N -0.47 -0.57 3.56 6.54 0.00 -1.26 0.42 105.19 113.41 1pjz n GLY 172 Ca -0.05 -2.08 -0.06 0.00 0.00 0.00 0.00 46.02 43.83 1pjz n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pjz s GLY 173 N 0.00 -0.38 0.26 -0.02 0.00 -0.12 -4.89 107.32 102.17 1pjz s GLY 173 Ca 0.00 1.17 0.06 0.00 0.00 0.00 0.00 44.72 45.95 1pjz s GLY 173 CO 0.00 0.38 0.33 -0.86 0.00 0.00 0.00 173.10 172.95 1pjz s GLN 174 N -2.82 3.22 -0.87 2.90 -2.07 -1.26 -0.82 119.66 117.94 1pjz s GLN 174 Ca 0.08 -0.90 0.00 0.00 -1.82 0.00 0.00 55.36 52.72 1pjz s GLN 174 Cb -0.01 -2.77 0.00 0.00 -1.09 0.00 0.00 33.01 29.14 1pjz s GLN 174 CO -0.06 0.36 0.00 -3.47 -1.32 0.00 0.00 175.29 170.79 1pjz n ASP 175 N -1.38 -5.56 -3.89 12.60 2.03 -1.19 -4.84 116.55 114.33 1pjz n ASP 175 Ca -0.07 0.20 -0.35 0.00 0.52 0.00 0.00 54.79 55.09 1pjz n ASP 175 Cb 0.58 -3.79 -0.05 0.00 -0.72 0.00 0.00 41.12 37.14 1pjz n ASP 175 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1pjz n THR 176 N -2.24 3.45 0.05 5.18 5.66 -1.11 -4.73 114.28 120.54 1pjz n THR 176 Ca -0.08 -5.36 -0.14 0.00 -3.05 0.00 0.00 64.05 55.41 1pjz n THR 176 Cb 0.53 -2.22 -0.14 0.00 -1.55 0.00 0.00 70.33 66.95 1pjz n THR 176 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1pjz h LEU 177 N 5.33 0.27 -3.98 1.09 7.12 -1.89 -3.35 115.31 119.90 1pjz h LEU 177 Ca 0.18 -0.38 -0.10 0.00 0.13 0.00 0.00 57.88 57.71 1pjz h LEU 177 Cb 0.72 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.72 1pjz h LEU 177 CO 0.98 1.32 -0.11 1.41 -0.13 0.00 0.00 178.44 181.90 1pjz n HIS 178 N -3.38 0.00 0.00 1.25 8.25 -1.26 -2.69 115.22 117.39 1pjz n HIS 178 Ca -0.14 -1.01 0.00 0.00 -0.26 0.00 0.00 57.72 56.31 1pjz n HIS 178 Cb 1.03 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1pjz n HIS 178 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pjz n SER 179 N 2.35 0.01 -4.91 0.41 2.88 -1.26 -4.92 113.62 108.18 1pjz n SER 179 Ca 0.23 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.50 1pjz n SER 179 Cb 0.59 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.08 1pjz n SER 179 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pjz s SER 180 N -3.55 5.76 -0.16 -3.46 0.15 -1.10 -2.90 113.70 108.45 1pjz s SER 180 Ca 0.00 0.81 -0.12 0.00 0.70 0.00 0.00 55.95 57.34 1pjz s SER 180 Cb 0.00 -1.87 -0.06 0.00 -1.71 0.00 0.00 66.02 62.39 1pjz s SER 180 CO 0.00 -0.96 -0.17 0.00 1.20 0.00 0.00 173.24 173.32 1pjz n ALA 181 N -2.53 0.57 -0.68 5.45 0.00 -1.26 -3.94 120.51 118.12 1pjz n ALA 181 Ca 0.04 -0.50 0.51 0.00 0.00 0.00 0.00 53.44 53.49 1pjz n ALA 181 Cb 0.57 -0.04 0.80 0.00 0.00 0.00 0.00 19.45 20.77 1pjz n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pjz n ARG 182 N -4.56 -0.00 0.24 0.00 5.12 -1.26 0.03 116.66 116.21 1pjz n ARG 182 Ca -0.12 1.09 -0.10 0.00 -1.93 0.00 0.00 57.85 56.79 1pjz n ARG 182 Cb 0.37 -2.47 -0.05 0.00 -1.16 0.00 0.00 32.46 29.15 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 -0.66 1.91 -0.13 0.00 -1.89 0.14 103.07 102.44 1pjz h GLY 183 Ca 0.92 0.24 0.00 0.00 0.00 0.00 0.00 47.33 48.50 1pjz h GLY 183 CO -0.07 -0.24 0.04 1.41 0.00 0.00 0.00 176.54 177.68 1pjz h LEU 184 N -0.87 0.00 0.00 3.11 3.38 -0.53 1.04 115.31 121.45 1pjz h LEU 184 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1pjz h LEU 184 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1pjz h LEU 184 CO 0.11 0.00 -0.03 0.50 0.09 0.00 0.00 178.44 179.11 1pjz h LYS 185 N 0.00 0.00 -0.34 1.13 3.64 -0.56 -3.35 116.57 117.09 1pjz h LYS 185 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1pjz h LYS 185 Cb 0.07 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1pjz h LYS 185 CO 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 179.45 177.12 1pjz h ALA 186 N -1.16 1.28 -0.68 5.00 0.00 -0.14 -3.48 119.26 120.08 1pjz h ALA 186 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pjz h ALA 186 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pjz h ALA 186 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1pjz n GLY 187 N -0.74 0.69 0.08 0.00 0.00 0.35 -4.88 105.19 100.71 1pjz n GLY 187 Ca 0.01 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.78 -3.48 115.31 111.04 1pjz h LEU 188 Ca 0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1pjz h LEU 188 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1pjz h LEU 188 CO 0.00 1.14 0.00 -1.84 -0.00 0.00 0.00 178.44 177.74 1pjz n GLU 189 N -4.54 0.00 0.00 1.13 -0.00 -1.26 -4.82 120.64 111.14 1pjz n GLU 189 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.97 1pjz n GLU 189 Cb 0.49 -2.32 0.00 0.00 -0.00 0.00 0.00 31.44 29.61 1pjz n GLU 189 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1pjz n ARG 190 N -2.00 0.00 -3.61 3.44 1.85 -1.26 -4.90 116.66 110.18 1pjz n ARG 190 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 1pjz n ARG 190 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 1pjz n ARG 190 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pjz s MET 191 N 0.00 0.24 -0.10 2.89 0.23 -1.26 -4.81 119.30 116.49 1pjz s MET 191 Ca 0.00 -0.03 -0.29 0.00 -1.03 0.00 0.00 55.69 54.34 1pjz s MET 191 Cb 0.00 0.11 -0.01 0.00 -1.53 0.00 0.00 34.83 33.40 1pjz s MET 191 CO 0.00 -0.09 0.99 0.34 -2.03 0.00 0.00 175.02 174.23 1pjz s ASP 192 N -1.63 7.24 -0.22 -1.18 -1.08 -1.26 -2.74 116.67 115.80 1pjz s ASP 192 Ca 0.08 1.52 -0.05 0.00 -0.52 0.00 0.00 52.55 53.58 1pjz s ASP 192 Cb -0.01 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.88 1pjz s ASP 192 CO -0.05 -0.42 0.00 -0.70 0.52 0.00 0.00 175.17 174.52 1pjz s GLU 193 N 1.90 3.54 -0.21 4.34 2.12 -0.00 -1.30 118.70 129.09 1pjz s GLU 193 Ca 0.48 -0.55 -0.04 0.00 0.36 0.00 0.00 54.97 55.22 1pjz s GLU 193 Cb -0.18 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 1pjz s GLU 193 CO 0.19 -0.12 -0.03 -1.01 -0.54 0.00 0.00 175.26 173.75 1pjz s HIS 194 N 1.35 2.98 0.25 5.30 3.76 0.46 -0.94 115.29 128.46 1pjz s HIS 194 Ca 0.04 -0.69 0.11 0.00 -0.15 0.00 0.00 55.06 54.37 1pjz s HIS 194 Cb -0.15 -2.08 -0.05 0.00 1.11 0.00 0.00 32.58 31.42 1pjz s HIS 194 CO 0.00 -0.39 -0.13 0.08 -0.85 0.00 0.00 174.74 173.46 1pjz s VAL 195 N 1.20 2.87 -0.10 -0.90 1.01 0.17 0.41 120.40 125.05 1pjz s VAL 195 Ca 0.03 -2.11 -0.06 0.00 0.00 0.00 0.00 61.98 59.83 1pjz s VAL 195 Cb -0.14 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.78 1pjz s VAL 195 CO -0.00 -0.32 0.25 -0.31 0.00 0.00 0.00 175.10 174.72 1pjz s TYR 196 N -2.25 -0.32 -0.38 5.22 2.02 -0.16 -0.36 117.35 121.11 1pjz s TYR 196 Ca 0.29 0.77 -0.11 0.00 -0.37 0.00 0.00 57.07 57.64 1pjz s TYR 196 Cb -0.06 0.07 0.03 0.00 -0.40 0.00 0.00 41.96 41.60 1pjz s TYR 196 CO 0.16 -0.20 0.23 0.08 -1.57 0.00 0.00 175.55 174.24 1pjz s VAL 197 N 0.90 4.63 -0.31 0.71 1.01 -0.00 0.17 120.40 127.51 1pjz s VAL 197 Ca -0.06 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 1pjz s VAL 197 Cb -0.08 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1pjz s VAL 197 CO -0.06 -0.28 0.12 -1.48 0.00 0.00 0.00 175.10 173.40 1pjz s LEU 198 N 1.56 4.07 -0.82 3.92 2.34 0.64 0.57 118.68 130.96 1pjz s LEU 198 Ca 0.02 -0.74 -0.26 0.00 0.06 0.00 0.00 54.13 53.22 1pjz s LEU 198 Cb -0.20 -1.93 0.03 0.00 -0.56 0.00 0.00 46.19 43.53 1pjz s LEU 198 CO 0.07 -0.23 1.40 -0.70 -1.06 0.00 0.00 176.35 175.83 1pjz s GLU 199 N 1.53 3.24 -0.39 1.48 2.12 -0.29 0.48 118.70 126.87 1pjz s GLU 199 Ca 0.03 -0.43 -0.27 0.00 0.36 0.00 0.00 54.97 54.65 1pjz s GLU 199 Cb -0.18 -4.58 -0.05 0.00 0.26 0.00 0.00 34.13 29.58 1pjz s GLU 199 CO 0.04 -2.26 2.23 0.50 -0.54 0.00 0.00 175.26 175.23 1pjz s ARG 200 N 5.67 2.64 0.00 4.30 3.00 0.18 -1.14 118.95 133.60 1pjz s ARG 200 Ca 0.42 1.56 0.28 0.00 -1.00 0.00 0.00 55.73 56.99 1pjz s ARG 200 Cb -0.06 -4.45 1.14 0.00 0.00 0.00 0.00 34.95 31.58 1pjz s ARG 200 CO 0.07 -2.67 1.80 1.33 0.00 0.00 0.00 175.30 175.83