#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u71 n GLY 2 N 0.00 0.72 3.77 7.63 0.00 0.97 -4.99 105.19 113.29 1u71 n GLY 2 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1u71 n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u71 s SER 3 N -1.00 5.74 -0.24 1.61 0.01 -1.26 -4.81 113.70 113.75 1u71 s SER 3 Ca 0.00 2.20 -0.07 0.00 1.31 0.00 0.00 55.95 59.39 1u71 s SER 3 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 1u71 s SER 3 CO 0.00 -1.21 0.07 -0.22 0.41 0.00 0.00 173.24 172.29 1u71 s LEU 4 N -3.74 3.49 0.06 2.44 2.96 -1.26 -0.62 118.68 122.02 1u71 s LEU 4 Ca 0.72 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.48 1u71 s LEU 4 Cb -0.25 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1u71 s LEU 4 CO 0.28 -0.00 -0.06 0.20 -1.32 0.00 0.00 176.35 175.45 1u71 s ASN 5 N 1.42 0.83 -0.01 3.68 0.01 -0.46 -3.03 114.94 117.38 1u71 s ASN 5 Ca 0.05 -0.81 0.05 0.00 -0.71 0.00 0.00 52.86 51.44 1u71 s ASN 5 Cb -0.15 0.10 -0.01 0.00 0.41 0.00 0.00 41.25 41.60 1u71 s ASN 5 CO 0.04 -0.40 -0.17 0.00 -1.51 0.00 0.00 177.10 175.05 1u71 s ILE 7 N -0.45 0.64 -0.01 0.00 2.07 -0.88 -0.41 121.20 122.16 1u71 s ILE 7 Ca 0.07 -0.27 -0.17 0.00 -1.41 0.00 0.00 60.65 58.87 1u71 s ILE 7 Cb -0.07 -0.59 0.03 0.00 0.13 0.00 0.00 42.46 41.96 1u71 s ILE 7 CO -0.00 0.22 0.36 0.54 -1.91 0.00 0.00 174.94 174.14 1u71 s VAL 8 N 0.34 0.05 -0.09 4.00 0.11 -0.84 -4.51 120.40 119.46 1u71 s VAL 8 Ca -0.05 -0.43 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1u71 s VAL 8 Cb -0.09 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1u71 s VAL 8 CO 0.00 -0.24 -0.06 0.00 -3.33 0.00 0.00 175.10 171.48 1u71 s ALA 9 N -1.46 2.99 -0.01 1.54 0.00 -1.26 -0.20 121.76 123.36 1u71 s ALA 9 Ca -0.12 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 1u71 s ALA 9 Cb -0.04 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.75 1u71 s ALA 9 CO 0.04 0.47 0.03 0.14 0.00 0.00 0.00 175.76 176.43 1u71 s VAL 10 N -0.46 -0.01 0.79 0.00 -7.23 -0.40 -4.74 120.40 108.35 1u71 s VAL 10 Ca 0.07 0.05 -0.09 0.00 -1.81 0.00 0.00 61.98 60.19 1u71 s VAL 10 Cb -0.12 -0.05 0.11 0.00 0.56 0.00 0.00 36.38 36.87 1u71 s VAL 10 CO 0.02 0.02 1.12 -0.94 -0.31 0.00 0.00 175.10 175.01 1u71 s SER 11 N 0.25 4.28 0.64 4.85 1.04 -0.86 -0.86 113.70 123.03 1u71 s SER 11 Ca -0.02 0.38 0.42 0.00 0.48 0.00 0.00 55.95 57.20 1u71 s SER 11 Cb -0.03 -0.81 2.15 0.00 0.10 0.00 0.00 66.02 67.43 1u71 s SER 11 CO -0.01 -1.97 2.27 1.56 0.98 0.00 0.00 173.24 176.07 1u71 h GLN 12 N -0.94 0.00 -0.02 4.02 4.20 0.14 -0.20 115.11 122.32 1u71 h GLN 12 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1u71 h GLN 12 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1u71 h GLN 12 CO 0.54 0.00 0.00 0.27 -0.67 0.00 0.00 178.83 178.97 1u71 n ASN 13 N -3.08 0.58 -0.13 1.46 6.94 -1.26 -4.90 115.26 114.86 1u71 n ASN 13 Ca -0.02 -1.25 -0.01 0.00 -0.02 0.00 0.00 54.58 53.28 1u71 n ASN 13 Cb 0.14 -0.01 -0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1u71 n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1u71 n MET 14 N -0.53 -0.11 -2.56 -3.83 2.81 -0.08 -4.95 117.12 107.87 1u71 n MET 14 Ca 0.21 0.32 -0.42 0.00 -1.81 0.00 0.00 57.70 56.00 1u71 n MET 14 Cb 0.20 -3.89 -0.03 0.00 -0.71 0.00 0.00 33.22 28.79 1u71 n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1u71 s GLY 15 N -2.96 2.19 -0.00 3.03 0.00 -1.26 -0.98 107.32 107.35 1u71 s GLY 15 Ca 0.00 0.51 0.06 0.00 0.00 0.00 0.00 44.72 45.29 1u71 s GLY 15 CO 0.00 2.09 0.25 0.29 0.00 0.00 0.00 173.10 175.73 1u71 n ILE 16 N 4.61 0.00 -3.48 0.90 -5.35 0.13 -2.02 119.36 114.14 1u71 n ILE 16 Ca 0.10 -0.33 -0.10 0.00 -0.27 0.00 0.00 62.75 62.15 1u71 n ILE 16 Cb 0.47 0.93 -0.02 0.00 -1.74 0.00 0.00 39.64 39.28 1u71 n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1u71 s GLY 17 N -1.72 -0.52 -0.25 3.28 0.00 -1.16 -4.66 107.32 102.29 1u71 s GLY 17 Ca 0.02 0.71 -0.03 0.00 0.00 0.00 0.00 44.72 45.41 1u71 s GLY 17 CO 0.26 0.23 0.17 1.25 0.00 0.00 0.00 173.10 175.01 1u71 s LYS 18 N -3.43 0.19 -1.29 2.90 2.20 0.16 -1.55 119.74 118.92 1u71 s LYS 18 Ca 0.04 -0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.39 1u71 s LYS 18 Cb -0.01 -1.21 0.01 0.00 -1.51 0.00 0.00 37.83 35.11 1u71 s LYS 18 CO -0.10 -0.89 0.91 0.09 -0.36 0.00 0.00 175.35 175.01 1u71 n ASN 19 N 5.28 -2.55 0.00 1.43 3.02 -1.26 -0.67 115.26 120.51 1u71 n ASN 19 Ca -0.05 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 1u71 n ASN 19 Cb 0.46 -4.61 0.00 0.00 -0.61 0.00 0.00 39.78 35.02 1u71 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u71 n GLY 20 N -1.46 1.46 4.01 7.41 0.00 -1.26 -4.97 105.19 110.38 1u71 n GLY 20 Ca -0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 1u71 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u71 s ASP 21 N -2.51 5.32 0.16 1.61 2.15 0.15 -4.73 116.67 118.82 1u71 s ASP 21 Ca 0.00 -0.42 -0.31 0.00 0.43 0.00 0.00 52.55 52.25 1u71 s ASP 21 Cb 0.00 -0.43 -0.08 0.00 -0.30 0.00 0.00 42.92 42.11 1u71 s ASP 21 CO 0.00 -1.09 1.38 -0.13 -0.17 0.00 0.00 175.17 175.16 1u71 s ARG 22 N -4.59 4.33 0.00 4.34 0.52 -1.26 0.38 118.95 122.67 1u71 s ARG 22 Ca 0.58 2.10 0.20 0.00 -0.52 0.00 0.00 55.73 58.09 1u71 s ARG 22 Cb -0.09 -3.21 1.15 0.00 0.52 0.00 0.00 34.95 33.32 1u71 s ARG 22 CO 0.37 -0.38 1.59 -0.35 0.02 0.00 0.00 175.30 176.55 1u71 n PRO 23 N 3.36 0.55 -4.42 3.54 -0.05 -1.26 -4.74 135.00 131.98 1u71 n PRO 23 Ca 0.09 0.02 -0.21 0.00 -0.05 0.00 0.00 63.50 63.36 1u71 n PRO 23 Cb 0.42 -1.50 -0.10 0.00 -0.05 0.00 0.00 33.50 32.27 1u71 n PRO 23 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 175.50 177.12 1u71 s TRP 24 N -2.13 1.92 0.98 0.54 -2.14 -1.26 -4.71 118.94 112.14 1u71 s TRP 24 Ca 0.28 -0.75 -0.12 0.00 2.66 0.00 0.00 56.10 58.17 1u71 s TRP 24 Cb 0.14 -1.11 0.18 0.00 -3.10 0.00 0.00 33.47 29.57 1u71 s TRP 24 CO 0.25 0.22 1.08 -1.25 -2.66 0.00 0.00 176.95 174.59 1u71 s PRO 25 N -3.76 0.54 0.56 3.25 0.04 -1.26 -4.94 135.00 129.44 1u71 s PRO 25 Ca 0.30 0.81 -0.21 0.00 0.04 0.00 0.00 61.00 61.94 1u71 s PRO 25 Cb 0.04 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 1u71 s PRO 25 CO 0.12 -2.73 1.30 -2.30 0.04 0.00 0.00 177.00 173.43 1u71 n PRO 26 N -4.22 1.53 -3.48 0.56 -0.02 -1.26 -4.98 135.00 123.13 1u71 n PRO 26 Ca 0.06 0.57 -0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1u71 n PRO 26 Cb 0.55 -2.51 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 1u71 n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u71 s LEU 27 N -3.32 1.71 0.31 2.45 1.43 -1.26 -4.94 118.68 115.07 1u71 s LEU 27 Ca 0.73 -2.88 0.07 0.00 -1.03 0.00 0.00 54.13 51.03 1u71 s LEU 27 Cb -0.42 -0.58 0.79 0.00 0.03 0.00 0.00 46.19 46.01 1u71 s LEU 27 CO 0.48 -0.21 1.76 0.03 0.23 0.00 0.00 176.35 178.64 1u71 h ARG 28 N 6.06 0.67 0.05 1.70 3.08 -1.97 1.32 114.38 125.29 1u71 h ARG 28 Ca 0.18 -0.04 -0.25 0.00 0.07 0.00 0.00 59.98 59.94 1u71 h ARG 28 Cb 0.91 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1u71 h ARG 28 CO 0.38 0.44 -1.25 -0.91 -1.07 0.00 0.00 179.97 177.57 1u71 h ASN 29 N 0.69 0.17 -0.23 7.04 4.21 -1.98 -0.37 115.58 125.10 1u71 h ASN 29 Ca 0.60 -0.21 -0.12 0.00 1.21 0.00 0.00 56.30 57.78 1u71 h ASN 29 Cb 1.02 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.15 1u71 h ASN 29 CO -0.42 1.17 -0.28 -0.08 -1.29 0.00 0.00 177.43 176.53 1u71 h GLU 30 N 0.03 0.73 -0.43 0.81 4.22 -1.49 -2.85 114.58 115.60 1u71 h GLU 30 Ca -0.12 -0.31 -0.09 0.00 0.08 0.00 0.00 59.36 58.91 1u71 h GLU 30 Cb 1.89 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 1u71 h GLU 30 CO 0.15 0.92 -0.10 0.35 -2.18 0.00 0.00 179.01 178.15 1u71 h PHE 31 N 0.62 0.92 -0.10 0.92 3.57 0.18 -2.44 116.94 120.62 1u71 h PHE 31 Ca 0.08 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 1u71 h PHE 31 Cb 0.79 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1u71 h PHE 31 CO 0.04 0.93 -0.12 0.00 -2.23 0.00 0.00 178.31 176.93 1u71 h ARG 32 N 0.65 0.15 -0.03 1.11 3.08 -1.05 -1.56 114.38 116.73 1u71 h ARG 32 Ca 0.11 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.93 1u71 h ARG 32 Cb 0.63 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1u71 h ARG 32 CO 0.04 0.27 -0.83 -0.92 -1.07 0.00 0.00 179.97 177.46 1u71 h TYR 33 N 0.14 0.46 -0.06 3.04 5.03 -1.35 0.81 116.97 125.04 1u71 h TYR 33 Ca 0.03 -0.23 -0.05 0.00 2.58 0.00 0.00 58.73 61.06 1u71 h TYR 33 Cb 0.30 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.52 1u71 h TYR 33 CO 0.00 1.02 -0.14 0.35 -1.32 0.00 0.00 178.16 178.07 1u71 h PHE 34 N 0.20 0.26 0.15 -3.82 3.57 -1.03 0.24 116.94 116.50 1u71 h PHE 34 Ca -0.05 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1u71 h PHE 34 Cb 1.44 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1u71 h PHE 34 CO 0.04 0.74 -0.07 1.96 -2.23 0.00 0.00 178.31 178.75 1u71 h GLN 35 N -0.30 -0.20 -0.05 1.11 1.08 -1.29 -2.33 115.11 113.13 1u71 h GLN 35 Ca -0.00 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1u71 h GLN 35 Cb 0.74 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.19 1u71 h GLN 35 CO 0.03 0.05 -0.09 -0.09 -0.95 0.00 0.00 178.83 177.78 1u71 h ARG 36 N -0.43 -0.13 -0.23 1.46 2.43 -0.84 0.69 114.38 117.33 1u71 h ARG 36 Ca -0.02 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1u71 h ARG 36 Cb 0.34 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1u71 h ARG 36 CO 0.03 -0.09 0.10 0.52 -1.51 0.00 0.00 179.97 179.03 1u71 h MET 37 N -0.14 0.21 -0.05 0.20 2.86 -0.52 -2.88 114.93 114.62 1u71 h MET 37 Ca 0.05 -0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.51 1u71 h MET 37 Cb 0.21 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1u71 h MET 37 CO -0.13 0.14 -0.71 1.79 1.06 0.00 0.00 176.91 179.06 1u71 h THR 38 N 0.22 1.41 0.12 2.22 1.35 -1.35 -3.35 112.91 113.54 1u71 h THR 38 Ca 0.10 -2.20 -0.28 0.00 -0.55 0.00 0.00 66.41 63.48 1u71 h THR 38 Cb 0.04 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1u71 h THR 38 CO -0.08 0.65 -1.31 0.74 -0.25 0.00 0.00 175.52 175.27 1u71 h THR 39 N 0.19 1.42 -2.50 6.82 2.02 -0.83 -3.42 112.91 116.60 1u71 h THR 39 Ca -0.02 -3.01 -0.56 0.00 0.77 0.00 0.00 66.41 63.59 1u71 h THR 39 Cb 1.27 2.90 -0.01 0.00 -1.74 0.00 0.00 68.15 70.57 1u71 h THR 39 CO 0.11 0.87 1.22 -0.89 0.37 0.00 0.00 175.52 177.21 1u71 s THR 40 N -2.65 3.39 -0.12 3.16 2.01 -1.09 -4.51 115.64 115.83 1u71 s THR 40 Ca -0.05 0.44 -0.10 0.00 0.31 0.00 0.00 61.69 62.29 1u71 s THR 40 Cb 0.07 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1u71 s THR 40 CO 0.88 -0.14 0.21 -0.55 -0.69 0.00 0.00 174.62 174.33 1u71 s SER 41 N 5.01 6.44 -0.11 3.53 0.15 -1.26 -4.93 113.70 122.53 1u71 s SER 41 Ca 0.81 0.52 0.05 0.00 0.70 0.00 0.00 55.95 58.04 1u71 s SER 41 Cb -0.32 -2.13 0.32 0.00 -1.71 0.00 0.00 66.02 62.19 1u71 s SER 41 CO 0.33 0.30 1.07 -1.54 1.20 0.00 0.00 173.24 174.60 1u71 n SER 42 N 2.51 2.99 -3.15 5.45 3.41 -1.26 -4.70 113.62 118.87 1u71 n SER 42 Ca -0.17 -2.42 0.04 0.00 -0.26 0.00 0.00 58.87 56.06 1u71 n SER 42 Cb 0.53 -0.59 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1u71 n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1u71 s VAL 43 N -1.65 -0.91 0.16 -3.33 1.01 -1.26 -5.14 120.40 109.28 1u71 s VAL 43 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 1u71 s VAL 43 Cb 0.17 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.58 1u71 s VAL 43 CO 0.06 0.00 0.19 1.21 0.00 0.00 0.00 175.10 176.56 1u71 n GLU 44 N 5.35 0.00 -1.00 2.72 4.07 -1.26 -1.68 120.64 128.84 1u71 n GLU 44 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1u71 n GLU 44 Cb 0.55 -0.57 0.00 0.00 -0.06 0.00 0.00 31.44 31.36 1u71 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1u71 n GLY 45 N 1.22 0.29 3.61 8.31 0.00 -1.26 -5.00 105.19 112.36 1u71 n GLY 45 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1u71 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u71 s LYS 46 N -0.83 2.23 0.22 1.61 1.02 -0.67 -4.93 119.74 118.39 1u71 s LYS 46 Ca 0.00 -1.00 0.07 0.00 0.02 0.00 0.00 55.97 55.05 1u71 s LYS 46 Cb 0.00 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.91 1u71 s LYS 46 CO 0.00 0.51 -0.11 -0.65 -0.92 0.00 0.00 175.35 174.18 1u71 s GLN 47 N -2.33 1.35 0.47 1.68 -0.21 -1.00 -4.72 119.66 114.90 1u71 s GLN 47 Ca 0.23 -1.63 -0.04 0.00 0.02 0.00 0.00 55.36 53.95 1u71 s GLN 47 Cb -0.11 -1.03 -0.03 0.00 1.00 0.00 0.00 33.01 32.84 1u71 s GLN 47 CO 0.15 0.12 0.75 -0.80 -2.12 0.00 0.00 175.29 173.39 1u71 s ASN 48 N -3.33 6.12 -0.27 5.90 0.01 -1.26 -1.45 114.94 120.66 1u71 s ASN 48 Ca 0.24 0.74 -0.10 0.00 -0.71 0.00 0.00 52.86 53.03 1u71 s ASN 48 Cb 0.01 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.58 1u71 s ASN 48 CO 0.07 -0.62 0.15 -0.22 -1.51 0.00 0.00 177.10 174.98 1u71 s LEU 49 N -4.69 3.87 -0.19 0.60 2.96 -0.40 -1.20 118.68 119.63 1u71 s LEU 49 Ca 0.47 -0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.26 1u71 s LEU 49 Cb -0.10 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1u71 s LEU 49 CO 0.43 -0.03 0.07 0.68 -1.32 0.00 0.00 176.35 176.17 1u71 s VAL 50 N 1.64 4.73 -0.13 1.68 -7.23 0.22 -0.71 120.40 120.60 1u71 s VAL 50 Ca 0.07 -0.05 -0.03 0.00 -1.81 0.00 0.00 61.98 60.16 1u71 s VAL 50 Cb -0.16 -3.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 1u71 s VAL 50 CO 0.08 0.44 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.66 1u71 s ILE 51 N 0.59 4.11 0.06 -0.62 1.01 -0.27 -0.67 121.20 125.41 1u71 s ILE 51 Ca 0.03 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 1u71 s ILE 51 Cb -0.13 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.59 1u71 s ILE 51 CO 0.01 0.54 0.33 0.00 0.00 0.00 0.00 174.94 175.82 1u71 s MET 52 N -0.15 0.88 0.94 2.79 0.23 -0.84 -1.66 119.30 121.49 1u71 s MET 52 Ca 0.04 -0.57 -0.12 0.00 -1.03 0.00 0.00 55.69 54.01 1u71 s MET 52 Cb -0.13 0.38 0.15 0.00 -1.53 0.00 0.00 34.83 33.71 1u71 s MET 52 CO 0.02 -0.30 1.12 0.20 -2.03 0.00 0.00 175.02 174.03 1u71 s GLY 53 N -2.28 1.58 0.14 3.16 0.00 -0.65 -0.93 107.32 108.34 1u71 s GLY 53 Ca -0.02 -0.43 -0.18 0.00 0.00 0.00 0.00 44.72 44.09 1u71 s GLY 53 CO -0.06 0.14 1.79 1.70 0.00 0.00 0.00 173.10 176.67 1u71 h LYS 54 N -1.63 0.36 0.00 2.90 3.64 -1.92 -2.11 116.57 117.82 1u71 h LYS 54 Ca -0.52 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 58.75 1u71 h LYS 54 Cb 1.33 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1u71 h LYS 54 CO 0.60 0.24 -0.41 -0.22 -2.27 0.00 0.00 179.45 177.39 1u71 h LYS 55 N 0.37 0.00 0.03 1.90 3.64 -1.92 -1.52 116.57 119.08 1u71 h LYS 55 Ca 0.11 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.22 1u71 h LYS 55 Cb -0.03 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1u71 h LYS 55 CO -0.04 0.41 -1.09 1.15 -2.27 0.00 0.00 179.45 177.61 1u71 h THR 56 N 0.00 1.30 -0.31 1.00 2.02 -1.81 -2.64 112.91 112.47 1u71 h THR 56 Ca -0.00 -2.35 0.04 0.00 0.77 0.00 0.00 66.41 64.87 1u71 h THR 56 Cb 0.92 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.77 1u71 h THR 56 CO 0.05 0.72 0.10 -0.25 0.37 0.00 0.00 175.52 176.51 1u71 h TRP 57 N 0.34 0.17 0.00 3.16 2.91 -1.16 -2.19 115.95 119.18 1u71 h TRP 57 Ca -0.14 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.90 1u71 h TRP 57 Cb 1.75 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 30.37 1u71 h TRP 57 CO 0.10 0.07 0.00 0.74 -1.03 0.00 0.00 178.44 178.32 1u71 h PHE 58 N 0.23 0.00 -0.01 2.65 -1.00 -1.29 -2.50 116.94 115.02 1u71 h PHE 58 Ca 0.14 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.92 1u71 h PHE 58 Cb 0.12 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.68 1u71 h PHE 58 CO -0.14 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 175.43 1u71 n SER 59 N -2.67 0.36 -4.69 2.17 3.41 -0.83 -4.81 113.62 106.56 1u71 n SER 59 Ca 0.02 -1.13 -0.37 0.00 -0.26 0.00 0.00 58.87 57.12 1u71 n SER 59 Cb 0.29 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.17 1u71 n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1u71 s ILE 60 N -2.00 5.25 0.05 -1.33 1.01 -0.94 -4.95 121.20 118.28 1u71 s ILE 60 Ca 0.45 0.61 -0.38 0.00 0.00 0.00 0.00 60.65 61.33 1u71 s ILE 60 Cb 0.21 -3.68 -0.19 0.00 0.01 0.00 0.00 42.46 38.82 1u71 s ILE 60 CO 0.36 0.30 1.03 -2.65 0.00 0.00 0.00 174.94 173.98 1u71 n PRO 61 N 4.17 0.19 -0.32 2.79 -0.02 -1.26 -4.74 135.00 135.80 1u71 n PRO 61 Ca -0.10 0.07 0.18 0.00 -2.02 0.00 0.00 63.50 61.62 1u71 n PRO 61 Cb 0.51 -1.52 0.35 0.00 -0.02 0.00 0.00 33.50 32.83 1u71 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1u71 h GLU 62 N 2.92 0.09 -0.45 -0.52 4.81 -1.94 0.17 114.58 119.67 1u71 h GLU 62 Ca -0.47 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.84 1u71 h GLU 62 Cb 1.42 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 1u71 h GLU 62 CO 0.66 0.06 0.30 -0.22 -0.73 0.00 0.00 179.01 179.08 1u71 h LYS 63 N 0.09 0.24 -0.62 1.92 3.64 -1.99 -1.57 116.57 118.28 1u71 h LYS 63 Ca 0.63 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 1u71 h LYS 63 Cb 1.40 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1u71 h LYS 63 CO -0.78 0.16 0.00 0.09 -2.27 0.00 0.00 179.45 176.65 1u71 n ASN 64 N -4.46 3.57 -4.27 4.20 3.02 0.60 -4.93 115.26 112.99 1u71 n ASN 64 Ca 0.07 -2.13 -0.33 0.00 -0.03 0.00 0.00 54.58 52.15 1u71 n ASN 64 Cb 0.34 -0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 38.91 1u71 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1u71 s ARG 65 N -1.39 3.23 1.05 3.52 0.52 -0.59 -3.38 118.95 121.91 1u71 s ARG 65 Ca 0.42 -0.74 -0.14 0.00 -0.52 0.00 0.00 55.73 54.75 1u71 s ARG 65 Cb 0.24 -2.65 0.21 0.00 0.52 0.00 0.00 34.95 33.27 1u71 s ARG 65 CO 0.26 0.00 1.11 -1.25 0.02 0.00 0.00 175.30 175.44 1u71 s PRO 66 N 0.86 0.01 -0.21 3.54 0.04 -1.25 -4.93 135.00 133.05 1u71 s PRO 66 Ca -0.04 0.28 -0.29 0.00 0.04 0.00 0.00 61.00 60.98 1u71 s PRO 66 Cb -0.15 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1u71 s PRO 66 CO -0.01 -2.96 1.38 -0.51 0.04 0.00 0.00 177.00 174.94 1u71 s LEU 67 N -6.54 4.04 0.43 -3.56 1.43 -1.22 -4.93 118.68 108.33 1u71 s LEU 67 Ca 0.67 1.56 -0.22 0.00 -1.03 0.00 0.00 54.13 55.12 1u71 s LEU 67 Cb -0.15 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 1u71 s LEU 67 CO 0.56 -0.98 1.00 -0.54 0.23 0.00 0.00 176.35 176.62 1u71 s LYS 68 N 4.01 4.10 0.00 1.70 1.02 -1.26 -3.52 119.74 125.79 1u71 s LYS 68 Ca 0.60 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.88 1u71 s LYS 68 Cb -0.22 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1u71 s LYS 68 CO 0.22 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 1u71 n GLY 69 N -0.23 1.17 3.27 -3.33 0.00 -1.26 -4.96 105.19 99.84 1u71 n GLY 69 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1u71 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u71 s ARG 70 N -0.47 1.11 -0.14 1.61 0.52 -1.23 -4.48 118.95 115.86 1u71 s ARG 70 Ca 0.00 -1.35 -0.27 0.00 -0.52 0.00 0.00 55.73 53.59 1u71 s ARG 70 Cb 0.00 -0.95 -0.01 0.00 0.52 0.00 0.00 34.95 34.51 1u71 s ARG 70 CO 0.00 0.17 0.91 0.42 0.02 0.00 0.00 175.30 176.82 1u71 s ILE 71 N -2.44 4.84 -0.27 1.52 1.01 -0.34 -4.79 121.20 120.73 1u71 s ILE 71 Ca 0.13 1.82 -0.15 0.00 0.00 0.00 0.00 60.65 62.45 1u71 s ILE 71 Cb -0.03 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1u71 s ILE 71 CO 0.04 0.02 0.38 0.20 0.00 0.00 0.00 174.94 175.57 1u71 s ASN 72 N 1.12 6.27 -0.10 3.58 0.02 -1.26 -0.61 114.94 123.95 1u71 s ASN 72 Ca 0.43 0.31 0.03 0.00 -1.02 0.00 0.00 52.86 52.61 1u71 s ASN 72 Cb -0.17 -2.21 -0.00 0.00 0.02 0.00 0.00 41.25 38.88 1u71 s ASN 72 CO 0.15 -0.18 -0.22 -0.22 0.02 0.00 0.00 177.10 176.64 1u71 s LEU 73 N 2.04 2.19 -0.13 0.60 0.20 0.16 -2.08 118.68 121.66 1u71 s LEU 73 Ca 0.15 -0.52 -0.05 0.00 0.69 0.00 0.00 54.13 54.40 1u71 s LEU 73 Cb -0.16 -1.44 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 1u71 s LEU 73 CO 0.10 0.16 0.07 -0.69 -0.29 0.00 0.00 176.35 175.70 1u71 s VAL 74 N 0.33 4.91 -0.27 1.68 1.01 -0.89 -1.99 120.40 125.18 1u71 s VAL 74 Ca -0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1u71 s VAL 74 Cb -0.18 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1u71 s VAL 74 CO 0.08 0.57 0.04 -0.76 0.00 0.00 0.00 175.10 175.03 1u71 s LEU 75 N -0.56 3.59 0.06 3.92 1.43 -0.10 -1.91 118.68 125.12 1u71 s LEU 75 Ca 0.11 -0.67 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 1u71 s LEU 75 Cb -0.12 -1.82 0.06 0.00 0.03 0.00 0.00 46.19 44.34 1u71 s LEU 75 CO 0.02 -0.15 0.59 -0.55 0.23 0.00 0.00 176.35 176.49 1u71 s SER 76 N 1.47 -0.54 -0.09 2.29 0.15 0.08 -3.50 113.70 113.57 1u71 s SER 76 Ca 0.03 0.25 0.11 0.00 0.70 0.00 0.00 55.95 57.04 1u71 s SER 76 Cb -0.17 0.54 -0.16 0.00 -1.71 0.00 0.00 66.02 64.53 1u71 s SER 76 CO 0.01 -0.78 0.10 0.54 1.20 0.00 0.00 173.24 174.30 1u71 n ARG 77 N 0.25 1.68 0.03 5.44 1.74 -1.26 -3.72 116.66 120.82 1u71 n ARG 77 Ca -0.18 -0.03 -0.05 0.00 -0.77 0.00 0.00 57.85 56.82 1u71 n ARG 77 Cb 0.61 -1.30 -0.11 0.00 -1.02 0.00 0.00 32.46 30.65 1u71 n ARG 77 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1u71 h GLU 78 N 0.00 0.00 -6.71 5.56 5.08 -1.97 -3.46 114.58 113.09 1u71 h GLU 78 Ca -0.24 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.60 1u71 h GLU 78 Cb 1.44 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.71 1u71 h GLU 78 CO 0.01 0.59 0.55 -0.51 -1.00 0.00 0.00 179.01 178.65 1u71 s LEU 79 N -6.24 4.47 -0.05 1.33 1.43 -1.26 -4.94 118.68 113.43 1u71 s LEU 79 Ca -0.02 2.27 0.20 0.00 -1.03 0.00 0.00 54.13 55.55 1u71 s LEU 79 Cb 0.09 -3.61 -0.25 0.00 0.03 0.00 0.00 46.19 42.45 1u71 s LEU 79 CO 0.81 -0.34 0.46 0.29 0.23 0.00 0.00 176.35 177.81 1u71 n LYS 80 N 2.14 0.66 -4.13 1.70 4.76 -1.26 -4.95 118.16 117.07 1u71 n LYS 80 Ca 0.03 -0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1u71 n LYS 80 Cb 0.44 -1.60 -0.10 0.00 -1.84 0.00 0.00 35.03 31.93 1u71 n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1u71 s GLU 81 N -3.07 0.79 0.34 1.97 -1.05 -1.26 -5.10 118.70 111.32 1u71 s GLU 81 Ca -0.07 -1.34 -0.29 0.00 -0.15 0.00 0.00 54.97 53.12 1u71 s GLU 81 Cb 0.10 0.16 -0.11 0.00 -0.44 0.00 0.00 34.13 33.85 1u71 s GLU 81 CO 0.86 -0.17 1.38 -2.14 0.95 0.00 0.00 175.26 176.14 1u71 s PRO 82 N -3.97 4.26 0.99 -4.83 0.02 -1.26 -4.97 135.00 125.24 1u71 s PRO 82 Ca 0.16 2.35 -0.12 0.00 0.02 0.00 0.00 61.00 63.41 1u71 s PRO 82 Cb 0.07 -3.03 0.13 0.00 0.02 0.00 0.00 34.50 31.69 1u71 s PRO 82 CO -0.04 -0.33 0.79 -2.30 -0.33 0.00 0.00 177.00 174.80 1u71 n PRO 83 N 0.74 -0.83 -1.78 5.54 -0.02 -1.26 -4.83 135.00 132.56 1u71 n PRO 83 Ca 0.01 -0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 60.88 1u71 n PRO 83 Cb 0.41 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 1u71 n PRO 83 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1u71 s GLN 84 N -4.18 4.13 0.00 -0.52 0.74 -1.26 -1.99 119.66 116.59 1u71 s GLN 84 Ca 0.63 2.57 0.00 0.00 0.05 0.00 0.00 55.36 58.61 1u71 s GLN 84 Cb -0.22 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.86 1u71 s GLN 84 CO 0.63 -0.64 0.00 0.41 -0.55 0.00 0.00 175.29 175.13 1u71 n GLY 85 N 2.46 2.15 3.92 2.59 0.00 -1.26 -4.95 105.19 110.10 1u71 n GLY 85 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1u71 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u71 s ALA 86 N -2.32 3.41 -0.16 4.61 0.00 -0.84 -3.91 121.76 122.55 1u71 s ALA 86 Ca 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 51.96 51.43 1u71 s ALA 86 Cb 0.00 -2.53 -0.18 0.00 0.00 0.00 0.00 23.12 20.41 1u71 s ALA 86 CO 0.00 -0.50 0.00 0.72 0.00 0.00 0.00 175.76 175.99 1u71 n HIS 87 N -2.34 0.00 -3.81 0.00 -0.00 -0.89 -4.83 115.22 103.36 1u71 n HIS 87 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.65 1u71 n HIS 87 Cb 0.56 -0.76 -0.07 0.00 -0.00 0.00 0.00 29.99 29.72 1u71 n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1u71 s PHE 88 N -2.38 0.06 -0.04 4.41 0.08 -1.03 -5.02 117.98 114.07 1u71 s PHE 88 Ca -0.12 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.50 1u71 s PHE 88 Cb 0.05 0.01 0.02 0.00 -0.57 0.00 0.00 43.02 42.53 1u71 s PHE 88 CO 0.60 -0.57 -0.05 -1.17 -0.10 0.00 0.00 175.22 173.93 1u71 s LEU 89 N -2.78 1.43 0.16 -0.37 2.96 -1.26 -2.09 118.68 116.73 1u71 s LEU 89 Ca 0.04 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 1u71 s LEU 89 Cb 0.04 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 1u71 s LEU 89 CO -0.11 -0.04 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.32 1u71 s SER 90 N 0.75 2.17 0.00 3.68 0.01 -0.80 -4.99 113.70 114.52 1u71 s SER 90 Ca -0.10 -0.95 -0.03 0.00 1.31 0.00 0.00 55.95 56.18 1u71 s SER 90 Cb -0.13 -0.08 -0.28 0.00 0.21 0.00 0.00 66.02 65.75 1u71 s SER 90 CO 0.00 -0.21 0.86 0.03 0.41 0.00 0.00 173.24 174.33 1u71 h ARG 91 N 2.92 0.25 -4.15 12.44 -0.00 -1.89 0.27 114.38 124.22 1u71 h ARG 91 Ca -0.38 -0.42 -0.21 0.00 -0.50 0.00 0.00 59.98 58.47 1u71 h ARG 91 Cb 1.20 0.16 -0.11 0.00 0.00 0.00 0.00 29.97 31.22 1u71 h ARG 91 CO 0.59 1.11 -0.31 -1.54 0.00 0.00 0.00 179.97 179.82 1u71 s SER 92 N -6.97 0.41 0.30 7.04 1.04 -1.26 -4.37 113.70 109.90 1u71 s SER 92 Ca -0.09 -1.29 0.02 0.00 0.48 0.00 0.00 55.95 55.07 1u71 s SER 92 Cb 0.07 0.55 0.49 0.00 0.10 0.00 0.00 66.02 67.23 1u71 s SER 92 CO 0.85 -1.10 1.81 0.25 0.98 0.00 0.00 173.24 176.03 1u71 h LEU 93 N 2.30 0.55 0.11 2.42 5.85 -1.97 0.51 115.31 125.09 1u71 h LEU 93 Ca -0.29 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1u71 h LEU 93 Cb 1.25 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1u71 h LEU 93 CO 0.41 0.66 -0.05 0.44 -0.34 0.00 0.00 178.44 179.56 1u71 h ASP 94 N 0.54 -0.13 -0.56 1.25 3.45 -1.97 0.78 116.42 119.77 1u71 h ASP 94 Ca 0.11 -0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.36 1u71 h ASP 94 Cb 0.44 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.22 1u71 h ASP 94 CO 0.02 0.06 0.07 0.44 -1.57 0.00 0.00 179.24 178.25 1u71 h ASP 95 N -0.31 0.95 -0.78 6.45 3.32 -1.82 0.11 116.42 124.33 1u71 h ASP 95 Ca -0.02 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 1u71 h ASP 95 Cb 0.25 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1u71 h ASP 95 CO 0.03 0.96 0.38 0.00 -1.72 0.00 0.00 179.24 178.89 1u71 h ALA 96 N 1.14 1.17 0.48 3.45 0.00 -0.58 -2.35 119.26 122.58 1u71 h ALA 96 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1u71 h ALA 96 Cb 0.45 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u71 h ALA 96 CO 0.02 0.63 -0.23 -0.07 0.00 0.00 0.00 179.25 179.59 1u71 h LEU 97 N 1.13 -0.55 -0.89 0.00 3.38 0.12 -3.19 115.31 115.31 1u71 h LEU 97 Ca 0.27 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.32 1u71 h LEU 97 Cb 0.12 0.14 -0.15 0.00 0.09 0.00 0.00 40.66 40.86 1u71 h LEU 97 CO -0.03 -0.15 -0.32 0.29 0.09 0.00 0.00 178.44 178.32 1u71 n LYS 98 N -5.23 -0.18 -0.30 1.13 5.02 0.32 0.87 118.16 119.79 1u71 n LYS 98 Ca -0.10 1.37 0.35 0.00 -2.02 0.00 0.00 58.31 57.91 1u71 n LYS 98 Cb 0.30 -2.04 0.70 0.00 -0.02 0.00 0.00 35.03 33.97 1u71 n LYS 98 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1u71 h LEU 99 N 0.00 0.00 -0.39 -0.35 6.46 -1.40 0.40 115.31 120.03 1u71 h LEU 99 Ca 0.34 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 58.01 1u71 h LEU 99 Cb 0.56 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 1u71 h LEU 99 CO -0.89 0.00 -0.07 0.74 -0.62 0.00 0.00 178.44 177.60 1u71 h THR 100 N 0.00 1.27 -0.55 1.05 2.02 0.41 -2.92 112.91 114.19 1u71 h THR 100 Ca 0.55 -1.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 1u71 h THR 100 Cb 2.47 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 70.07 1u71 h THR 100 CO -0.01 0.38 0.04 -0.33 0.37 0.00 0.00 175.52 175.98 1u71 h GLU 101 N 0.55 0.93 -6.54 6.66 4.39 -0.17 0.49 114.58 120.91 1u71 h GLU 101 Ca 0.10 -0.27 -0.59 0.00 0.34 0.00 0.00 59.36 58.94 1u71 h GLU 101 Cb 0.58 -0.10 0.15 0.00 -0.10 0.00 0.00 28.75 29.29 1u71 h GLU 101 CO 0.03 0.92 -0.19 1.04 -1.16 0.00 0.00 179.01 179.65 1u71 n GLN 102 N -4.31 0.77 0.00 2.33 1.13 -0.97 -4.55 117.38 111.78 1u71 n GLN 102 Ca 0.02 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 1u71 n GLN 102 Cb 0.30 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 28.85 1u71 n GLN 102 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1u71 n PRO 103 N 0.03 0.00 0.00 -1.09 -0.02 -1.26 -1.67 135.00 130.99 1u71 n PRO 103 Ca 0.11 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1u71 n PRO 103 Cb 0.43 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1u71 n PRO 103 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u71 n GLU 104 N -1.28 0.00 -0.00 -0.52 1.02 -1.26 -4.08 120.64 114.51 1u71 n GLU 104 Ca 0.00 0.33 0.10 0.00 -0.02 0.00 0.00 57.16 57.58 1u71 n GLU 104 Cb 0.01 -1.18 -0.14 0.00 -0.02 0.00 0.00 31.44 30.12 1u71 n GLU 104 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1u71 n LEU 105 N -1.25 0.65 -0.09 -4.62 4.77 -1.15 -4.60 117.00 110.72 1u71 n LEU 105 Ca 0.00 -0.33 -0.02 0.00 -0.03 0.00 0.00 56.01 55.63 1u71 n LEU 105 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1u71 n LEU 105 CO 0.00 0.16 0.15 0.00 -1.33 0.00 0.00 177.39 176.37 1u71 n ALA 106 N -1.75 -0.13 1.27 -1.18 0.00 0.17 0.29 120.51 119.18 1u71 n ALA 106 Ca 0.01 0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.76 1u71 n ALA 106 Cb 0.41 0.02 0.57 0.00 0.00 0.00 0.00 19.45 20.44 1u71 n ALA 106 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1u71 n ASN 107 N -3.71 0.36 -0.00 0.00 0.23 -1.26 -3.98 115.26 106.90 1u71 n ASN 107 Ca 0.00 -0.30 0.09 0.00 -0.53 0.00 0.00 54.58 53.85 1u71 n ASN 107 Cb 0.05 -0.12 -0.12 0.00 -2.08 0.00 0.00 39.78 37.51 1u71 n ASN 107 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1u71 n LYS 108 N -1.16 0.70 -3.88 -3.83 5.02 0.83 -4.94 118.16 110.90 1u71 n LYS 108 Ca 0.12 -0.07 -0.36 0.00 -2.02 0.00 0.00 58.31 55.98 1u71 n LYS 108 Cb 0.30 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 1u71 n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1u71 s VAL 109 N -3.00 4.69 0.00 -0.18 1.01 -0.19 -2.39 120.40 120.34 1u71 s VAL 109 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1u71 s VAL 109 Cb 0.14 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1u71 s VAL 109 CO 0.79 0.39 0.00 -0.67 0.00 0.00 0.00 175.10 175.61 1u71 n ASP 110 N 4.17 0.00 -4.93 3.32 4.64 -0.53 -2.09 116.55 121.13 1u71 n ASP 110 Ca -0.16 0.00 -0.26 0.00 -1.38 0.00 0.00 54.79 52.99 1u71 n ASP 110 Cb 0.52 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.58 1u71 n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 1u71 s MET 111 N 0.28 3.53 -0.11 -0.67 -1.94 -1.26 0.32 119.30 119.45 1u71 s MET 111 Ca 0.00 -0.28 0.02 0.00 -1.71 0.00 0.00 55.69 53.71 1u71 s MET 111 Cb 0.00 -2.74 -0.01 0.00 2.01 0.00 0.00 34.83 34.09 1u71 s MET 111 CO 0.00 0.28 -0.18 0.54 -0.01 0.00 0.00 175.02 175.65 1u71 s VAL 112 N -2.07 2.64 -0.13 -6.03 0.11 0.21 -1.27 120.40 113.86 1u71 s VAL 112 Ca 0.40 -0.81 0.02 0.00 -2.93 0.00 0.00 61.98 58.65 1u71 s VAL 112 Cb -0.10 -2.07 -0.00 0.00 -1.53 0.00 0.00 36.38 32.67 1u71 s VAL 112 CO 0.32 0.54 -0.18 0.26 -3.33 0.00 0.00 175.10 172.70 1u71 s TRP 113 N 0.29 2.70 -0.40 1.54 0.52 0.11 -1.36 118.94 122.34 1u71 s TRP 113 Ca -0.13 -0.96 -0.17 0.00 0.02 0.00 0.00 56.10 54.86 1u71 s TRP 113 Cb -0.16 -1.80 0.01 0.00 -1.15 0.00 0.00 33.47 30.36 1u71 s TRP 113 CO 0.07 -0.39 0.41 0.42 0.02 0.00 0.00 176.95 177.48 1u71 s ILE 114 N 0.51 5.11 -0.45 2.03 1.01 0.45 -1.11 121.20 128.74 1u71 s ILE 114 Ca -0.12 -0.22 0.16 0.00 0.00 0.00 0.00 60.65 60.47 1u71 s ILE 114 Cb -0.16 -3.97 0.67 0.00 0.01 0.00 0.00 42.46 39.00 1u71 s ILE 114 CO 0.05 -0.32 1.58 1.33 0.00 0.00 0.00 174.94 177.58 1u71 n VAL 115 N 5.37 2.30 0.00 2.92 0.24 -0.66 -2.08 118.33 126.42 1u71 n VAL 115 Ca -0.08 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 1u71 n VAL 115 Cb 0.48 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1u71 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u71 n GLY 116 N 0.34 4.15 0.00 7.63 0.00 -1.26 -4.95 105.19 111.10 1u71 n GLY 116 Ca 0.24 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1u71 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u71 n GLY 117 N -1.75 2.50 0.33 -0.02 0.00 -1.26 -1.63 105.19 103.35 1u71 n GLY 117 Ca 0.00 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.12 1u71 n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u71 h SER 118 N 0.00 0.27 -0.25 1.61 4.64 -1.99 -1.58 113.55 116.24 1u71 h SER 118 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1u71 h SER 118 Cb 0.00 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1u71 h SER 118 CO 0.00 0.17 0.04 0.28 -0.87 0.00 0.00 176.83 176.45 1u71 h SER 119 N 0.31 0.41 0.78 4.97 0.02 -1.94 1.53 113.55 119.63 1u71 h SER 119 Ca 0.19 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.74 1u71 h SER 119 Cb 0.36 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1u71 h SER 119 CO -0.04 0.57 -0.64 0.58 -1.14 0.00 0.00 176.83 176.16 1u71 h VAL 120 N 0.23 1.37 0.23 2.27 2.07 -1.62 -2.06 116.25 118.73 1u71 h VAL 120 Ca 0.08 -2.27 -0.30 0.00 0.82 0.00 0.00 66.70 65.02 1u71 h VAL 120 Cb 0.34 2.26 0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1u71 h VAL 120 CO 0.01 0.63 -1.31 1.88 0.02 0.00 0.00 177.57 178.80 1u71 h TYR 121 N 0.00 0.88 -0.21 1.57 -1.99 -0.84 -2.38 116.97 114.01 1u71 h TYR 121 Ca -0.01 -0.64 0.05 0.00 2.00 0.00 0.00 58.73 60.13 1u71 h TYR 121 Cb 1.21 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.84 1u71 h TYR 121 CO 0.00 1.50 -0.14 -0.22 -0.00 0.00 0.00 178.16 179.30 1u71 h LYS 122 N 0.02 -0.12 0.00 4.88 3.64 0.22 -1.18 116.57 124.03 1u71 h LYS 122 Ca -0.23 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 1u71 h LYS 122 Cb 2.03 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.87 1u71 h LYS 122 CO 0.25 -0.08 -0.27 1.05 -2.27 0.00 0.00 179.45 178.12 1u71 h GLU 123 N -0.13 0.00 -0.11 1.90 4.11 -1.44 -2.87 114.58 116.05 1u71 h GLU 123 Ca 0.12 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.34 1u71 h GLU 123 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1u71 h GLU 123 CO -0.29 0.27 -0.80 0.00 0.07 0.00 0.00 179.01 178.26 1u71 h ALA 124 N 1.73 0.39 0.00 1.06 0.00 -0.81 -2.91 119.26 118.72 1u71 h ALA 124 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1u71 h ALA 124 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1u71 h ALA 124 CO 0.04 0.72 0.00 -1.33 0.00 0.00 0.00 179.25 178.67 1u71 n MET 125 N -3.89 0.11 -0.00 0.00 2.81 -0.52 -1.60 117.12 114.03 1u71 n MET 125 Ca -0.07 0.51 0.04 0.00 -1.81 0.00 0.00 57.70 56.38 1u71 n MET 125 Cb 0.75 -1.80 -0.06 0.00 -0.71 0.00 0.00 33.22 31.40 1u71 n MET 125 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1u71 n ASN 126 N -2.03 2.47 -4.73 7.83 3.02 -1.18 -4.96 115.26 115.67 1u71 n ASN 126 Ca 0.00 -0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 53.98 1u71 n ASN 126 Cb 0.09 1.30 -0.02 0.00 -0.61 0.00 0.00 39.78 40.54 1u71 n ASN 126 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1u71 s HIS 127 N -2.40 2.91 0.47 3.10 5.65 -0.63 -4.93 115.29 119.47 1u71 s HIS 127 Ca -0.02 0.70 -0.16 0.00 0.25 0.00 0.00 55.06 55.83 1u71 s HIS 127 Cb 0.06 -4.00 -0.08 0.00 -1.18 0.00 0.00 32.58 27.38 1u71 s HIS 127 CO 0.35 -3.52 0.92 -1.25 -0.65 0.00 0.00 174.74 170.59 1u71 s PRO 128 N 0.27 3.96 0.00 2.88 0.04 -1.26 -4.89 135.00 136.00 1u71 s PRO 128 Ca 0.67 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1u71 s PRO 128 Cb -0.46 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1u71 s PRO 128 CO 0.40 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1u71 n GLY 129 N -1.33 0.81 3.74 0.56 0.00 -1.26 -4.97 105.19 102.74 1u71 n GLY 129 Ca 0.06 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 1u71 n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1u71 s HIS 130 N -0.89 3.60 -0.02 1.61 5.65 -1.26 -2.96 115.29 121.01 1u71 s HIS 130 Ca 0.00 1.08 -0.08 0.00 0.25 0.00 0.00 55.06 56.31 1u71 s HIS 130 Cb 0.00 -2.61 0.01 0.00 -1.18 0.00 0.00 32.58 28.80 1u71 s HIS 130 CO 0.00 0.24 0.17 -1.17 -0.65 0.00 0.00 174.74 173.32 1u71 s LEU 131 N 0.29 1.42 0.00 8.88 2.96 -0.94 -4.44 118.68 126.85 1u71 s LEU 131 Ca 0.30 -0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.25 1u71 s LEU 131 Cb -0.17 0.71 -0.01 0.00 0.50 0.00 0.00 46.19 47.22 1u71 s LEU 131 CO 0.14 -0.29 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.19 1u71 s LYS 132 N -0.94 1.26 -0.17 1.98 1.02 -1.17 -0.71 119.74 121.01 1u71 s LYS 132 Ca -0.10 -0.63 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 1u71 s LYS 132 Cb -0.06 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.99 1u71 s LYS 132 CO 0.01 0.33 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.22 1u71 s LEU 133 N -0.56 3.08 -0.40 3.17 1.02 0.52 -1.82 118.68 123.70 1u71 s LEU 133 Ca 0.06 -0.23 -0.08 0.00 0.02 0.00 0.00 54.13 53.90 1u71 s LEU 133 Cb -0.07 -1.75 0.07 0.00 0.02 0.00 0.00 46.19 44.46 1u71 s LEU 133 CO -0.00 0.11 0.22 -0.36 0.02 0.00 0.00 176.35 176.34 1u71 s PHE 134 N 0.70 3.34 -0.14 0.29 0.40 0.46 -0.62 117.98 122.40 1u71 s PHE 134 Ca -0.02 -1.57 -0.05 0.00 -0.60 0.00 0.00 56.93 54.69 1u71 s PHE 134 Cb -0.15 -2.80 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 1u71 s PHE 134 CO 0.02 -0.83 0.02 0.08 0.70 0.00 0.00 175.22 175.22 1u71 s VAL 135 N 1.40 4.47 -0.39 -0.44 1.01 0.20 -1.98 120.40 124.67 1u71 s VAL 135 Ca 0.02 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1u71 s VAL 135 Cb -0.22 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.27 1u71 s VAL 135 CO 0.02 0.53 0.21 -0.89 0.00 0.00 0.00 175.10 174.97 1u71 s THR 136 N -0.19 4.12 -0.29 3.92 2.01 0.72 -0.41 115.64 125.51 1u71 s THR 136 Ca 0.06 -1.28 -0.21 0.00 0.31 0.00 0.00 61.69 60.57 1u71 s THR 136 Cb -0.12 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 1u71 s THR 136 CO 0.02 -0.39 0.66 -0.13 -0.69 0.00 0.00 174.62 174.09 1u71 s ARG 137 N 1.42 3.97 -0.33 4.92 1.81 0.31 -1.27 118.95 129.78 1u71 s ARG 137 Ca 0.02 0.42 -0.16 0.00 -1.72 0.00 0.00 55.73 54.29 1u71 s ARG 137 Cb -0.22 -3.71 -0.01 0.00 -0.45 0.00 0.00 34.95 30.56 1u71 s ARG 137 CO 0.03 -0.55 0.42 0.42 -0.68 0.00 0.00 175.30 174.94 1u71 s ILE 138 N 2.65 5.11 -0.90 1.52 1.01 -0.04 -1.28 121.20 129.27 1u71 s ILE 138 Ca 0.27 0.27 -0.07 0.00 0.00 0.00 0.00 60.65 61.12 1u71 s ILE 138 Cb -0.15 -3.85 -0.11 0.00 0.01 0.00 0.00 42.46 38.36 1u71 s ILE 138 CO 0.11 -0.08 3.10 0.23 0.00 0.00 0.00 174.94 178.30 1u71 n MET 139 N 5.50 3.10 -3.60 2.79 2.81 -0.02 -1.58 117.12 126.13 1u71 n MET 139 Ca -0.07 -1.97 -0.04 0.00 -1.81 0.00 0.00 57.70 53.81 1u71 n MET 139 Cb 0.49 -2.43 -0.02 0.00 -0.71 0.00 0.00 33.22 30.56 1u71 n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1u71 s GLN 140 N 0.92 0.58 0.02 0.03 -2.07 -1.26 -4.79 119.66 113.08 1u71 s GLN 140 Ca 0.66 -0.26 -0.23 0.00 -1.82 0.00 0.00 55.36 53.71 1u71 s GLN 140 Cb 0.25 0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 32.35 1u71 s GLN 140 CO -0.06 -0.26 0.69 -0.51 -1.32 0.00 0.00 175.29 173.83 1u71 s ASP 141 N -2.55 7.11 -0.02 12.60 1.11 -1.26 -0.66 116.67 133.00 1u71 s ASP 141 Ca 0.10 1.32 0.00 0.00 0.18 0.00 0.00 52.55 54.15 1u71 s ASP 141 Cb 0.00 -2.42 0.02 0.00 1.07 0.00 0.00 42.92 41.59 1u71 s ASP 141 CO -0.05 0.05 0.02 -0.36 1.18 0.00 0.00 175.17 176.01 1u71 s PHE 142 N -0.12 0.11 0.27 4.23 0.08 -1.26 -4.98 117.98 116.31 1u71 s PHE 142 Ca 0.35 0.07 -0.31 0.00 0.12 0.00 0.00 56.93 57.17 1u71 s PHE 142 Cb -0.19 -0.24 -0.12 0.00 -0.57 0.00 0.00 43.02 41.90 1u71 s PHE 142 CO 0.20 -0.08 1.65 -2.00 -0.10 0.00 0.00 175.22 174.89 1u71 s GLU 143 N 0.85 4.11 0.22 0.44 2.12 -1.26 -4.83 118.70 120.35 1u71 s GLU 143 Ca -0.07 2.61 -0.00 0.00 0.36 0.00 0.00 54.97 57.86 1u71 s GLU 143 Cb -0.11 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 1u71 s GLU 143 CO -0.02 -0.69 0.17 -1.12 -0.54 0.00 0.00 175.26 173.06 1u71 s SER 144 N 0.73 0.38 0.00 -1.70 0.01 -1.26 -4.74 113.70 107.11 1u71 s SER 144 Ca 0.67 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1u71 s SER 144 Cb -0.49 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1u71 s SER 144 CO 0.43 -0.89 0.00 -0.90 0.41 0.00 0.00 173.24 172.29 1u71 n ASP 145 N -0.48 0.03 -3.98 2.44 5.75 -0.59 -4.95 116.55 114.78 1u71 n ASP 145 Ca 0.03 -0.07 -0.17 0.00 -0.01 0.00 0.00 54.79 54.56 1u71 n ASP 145 Cb 0.65 0.15 -0.15 0.00 -1.03 0.00 0.00 41.12 40.75 1u71 n ASP 145 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1u71 s THR 146 N -0.16 0.53 0.16 2.12 -1.32 -1.18 -5.04 115.64 110.76 1u71 s THR 146 Ca 0.00 -0.27 0.09 0.00 -1.21 0.00 0.00 61.69 60.29 1u71 s THR 146 Cb 0.00 -0.45 -0.04 0.00 -1.51 0.00 0.00 72.50 70.49 1u71 s THR 146 CO 0.00 0.16 -0.19 -0.36 -2.21 0.00 0.00 174.62 172.02 1u71 s PHE 147 N -0.08 1.85 0.40 9.09 0.40 -1.26 -0.70 117.98 127.68 1u71 s PHE 147 Ca 0.02 -0.46 -0.22 0.00 -0.60 0.00 0.00 56.93 55.66 1u71 s PHE 147 Cb -0.03 -0.93 -0.11 0.00 0.51 0.00 0.00 43.02 42.46 1u71 s PHE 147 CO -0.00 0.34 0.94 0.12 0.70 0.00 0.00 175.22 177.32 1u71 s PHE 148 N -1.97 3.42 0.82 0.36 5.36 -0.15 -4.60 117.98 121.22 1u71 s PHE 148 Ca 0.16 1.66 -0.12 0.00 -0.96 0.00 0.00 56.93 57.67 1u71 s PHE 148 Cb -0.06 -2.87 0.08 0.00 -0.34 0.00 0.00 43.02 39.83 1u71 s PHE 148 CO 0.07 -0.01 1.10 -1.25 -1.46 0.00 0.00 175.22 173.66 1u71 s PRO 149 N -2.85 1.91 0.11 10.12 0.04 -1.26 -4.94 135.00 138.14 1u71 s PRO 149 Ca 0.58 0.65 -0.31 0.00 0.04 0.00 0.00 61.00 61.96 1u71 s PRO 149 Cb -0.12 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1u71 s PRO 149 CO 0.16 -1.74 1.45 -2.00 0.04 0.00 0.00 177.00 174.91 1u71 s GLU 150 N -5.13 4.28 -0.06 4.56 2.12 -1.26 -5.00 118.70 118.21 1u71 s GLU 150 Ca 0.61 2.15 -0.25 0.00 0.36 0.00 0.00 54.97 57.85 1u71 s GLU 150 Cb -0.15 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 1u71 s GLU 150 CO 0.55 -0.51 0.77 0.42 -0.54 0.00 0.00 175.26 175.94 1u71 s ILE 151 N 1.34 5.00 -0.53 -3.70 1.01 -1.26 -5.03 121.20 118.03 1u71 s ILE 151 Ca 0.67 1.58 -0.20 0.00 0.00 0.00 0.00 60.65 62.70 1u71 s ILE 151 Cb -0.38 -4.10 0.06 0.00 0.01 0.00 0.00 42.46 38.04 1u71 s ILE 151 CO 0.30 0.22 0.71 -0.62 0.00 0.00 0.00 174.94 175.55 1u71 s ASP 152 N 0.86 6.23 0.18 3.58 3.68 -1.26 -4.92 116.67 125.02 1u71 s ASP 152 Ca 0.41 -0.89 0.19 0.00 2.13 0.00 0.00 52.55 54.38 1u71 s ASP 152 Cb -0.18 -2.32 0.83 0.00 -1.45 0.00 0.00 42.92 39.79 1u71 s ASP 152 CO 0.20 -1.01 1.58 0.18 0.13 0.00 0.00 175.17 176.25 1u71 n LEU 153 N 6.49 0.41 0.14 -1.34 4.77 -1.26 -0.07 117.00 126.14 1u71 n LEU 153 Ca -0.05 0.62 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1u71 n LEU 153 Cb 0.45 -0.59 0.26 0.00 -2.33 0.00 0.00 43.42 41.22 1u71 n LEU 153 CO 0.57 -0.53 0.73 -0.33 -1.33 0.00 0.00 177.39 176.50 1u71 h GLU 154 N 0.00 0.00 0.00 3.23 4.39 -2.03 -3.36 114.58 116.82 1u71 h GLU 154 Ca 0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1u71 h GLU 154 Cb 0.25 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1u71 h GLU 154 CO 0.00 0.00 -1.77 1.63 -1.16 0.00 0.00 179.01 177.71 1u71 n LYS 155 N -2.56 0.32 -4.26 2.33 5.02 0.06 -5.00 118.16 114.07 1u71 n LYS 155 Ca 0.04 0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 56.08 1u71 n LYS 155 Cb 0.47 -1.19 -0.09 0.00 -0.02 0.00 0.00 35.03 34.20 1u71 n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1u71 s TYR 156 N -2.26 3.21 -0.16 2.13 1.51 0.89 -4.54 117.35 118.12 1u71 s TYR 156 Ca -0.18 0.16 -0.07 0.00 -1.01 0.00 0.00 57.07 55.96 1u71 s TYR 156 Cb 0.06 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 1u71 s TYR 156 CO 0.29 0.39 0.07 0.15 -1.11 0.00 0.00 175.55 175.34 1u71 s LYS 157 N -0.56 3.82 -0.03 -0.62 1.02 -0.13 -4.38 119.74 118.85 1u71 s LYS 157 Ca 0.10 -0.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 1u71 s LYS 157 Cb -0.12 -3.18 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1u71 s LYS 157 CO 0.02 0.39 1.36 -1.17 -0.92 0.00 0.00 175.35 175.03 1u71 s LEU 158 N 0.05 4.30 0.33 3.17 2.96 -1.26 -1.15 118.68 127.08 1u71 s LEU 158 Ca 0.06 2.02 -0.26 0.00 -0.22 0.00 0.00 54.13 55.73 1u71 s LEU 158 Cb -0.12 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.91 1u71 s LEU 158 CO 0.01 -0.71 0.95 -0.76 -1.32 0.00 0.00 176.35 174.52 1u71 s LEU 159 N 2.55 4.31 0.60 -0.68 1.43 0.15 -4.94 118.68 122.10 1u71 s LEU 159 Ca 0.62 1.84 0.33 0.00 -1.03 0.00 0.00 54.13 55.89 1u71 s LEU 159 Cb -0.29 -4.04 1.91 0.00 0.03 0.00 0.00 46.19 43.80 1u71 s LEU 159 CO 0.25 -0.10 2.26 1.55 0.23 0.00 0.00 176.35 180.53 1u71 h PRO 160 N 3.09 0.00 -1.32 1.29 0.13 -1.95 -3.44 132.00 129.80 1u71 h PRO 160 Ca -0.47 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 64.98 1u71 h PRO 160 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1u71 h PRO 160 CO 0.65 0.01 0.87 -1.83 -0.23 0.00 0.00 178.00 177.48 1u71 s GLU 161 N -4.46 0.25 -0.11 0.86 -1.05 -1.26 -5.08 118.70 107.85 1u71 s GLU 161 Ca -0.05 -0.12 -0.05 0.00 -0.15 0.00 0.00 54.97 54.60 1u71 s GLU 161 Cb 0.14 0.10 0.05 0.00 -0.44 0.00 0.00 34.13 33.98 1u71 s GLU 161 CO 0.52 -0.11 0.26 -0.47 0.95 0.00 0.00 175.26 176.41 1u71 s TYR 162 N -2.30 -0.36 0.05 4.83 5.04 -1.26 -5.06 117.35 118.29 1u71 s TYR 162 Ca 0.13 0.85 -0.33 0.00 -2.44 0.00 0.00 57.07 55.27 1u71 s TYR 162 Cb 0.03 0.04 -0.12 0.00 0.35 0.00 0.00 41.96 42.26 1u71 s TYR 162 CO -0.04 -0.26 1.76 -0.35 -1.34 0.00 0.00 175.55 175.32 1u71 n PRO 163 N 4.46 2.30 -0.43 4.97 -0.04 -1.26 -2.75 135.00 142.26 1u71 n PRO 163 Ca -0.21 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1u71 n PRO 163 Cb 0.52 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1u71 n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u71 n GLY 164 N 4.01 0.75 3.03 0.55 0.00 -1.26 -5.04 105.19 107.23 1u71 n GLY 164 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1u71 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u71 s VAL 165 N -2.41 1.86 0.38 1.61 1.01 -1.11 -5.08 120.40 116.66 1u71 s VAL 165 Ca 0.00 -1.20 -0.27 0.00 0.00 0.00 0.00 61.98 60.51 1u71 s VAL 165 Cb 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 36.38 34.36 1u71 s VAL 165 CO 0.00 0.15 1.38 0.18 0.00 0.00 0.00 175.10 176.81 1u71 n LEU 166 N 4.60 4.30 0.01 3.92 7.99 -1.26 -4.68 117.00 131.88 1u71 n LEU 166 Ca -0.15 1.19 0.11 0.00 -0.01 0.00 0.00 56.01 57.15 1u71 n LEU 166 Cb 0.46 -1.55 0.10 0.00 -0.11 0.00 0.00 43.42 42.31 1u71 n LEU 166 CO 0.21 -0.23 0.21 -1.20 -1.51 0.00 0.00 177.39 174.87 1u71 n SER 167 N 0.43 0.65 -4.91 -1.43 7.64 -1.26 -4.42 113.62 110.31 1u71 n SER 167 Ca 0.04 -0.37 -0.20 0.00 1.01 0.00 0.00 58.87 59.35 1u71 n SER 167 Cb 0.38 0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 64.13 1u71 n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1u71 s ASP 168 N -3.35 5.20 0.25 6.43 3.84 -1.26 -4.89 116.67 122.90 1u71 s ASP 168 Ca 0.08 -0.66 -0.30 0.00 -0.00 0.00 0.00 52.55 51.67 1u71 s ASP 168 Cb 0.16 -0.60 -0.10 0.00 -1.38 0.00 0.00 42.92 41.00 1u71 s ASP 168 CO 0.77 -0.67 1.40 -0.69 -0.00 0.00 0.00 175.17 175.97 1u71 s VAL 169 N -2.44 2.77 0.36 2.11 1.01 -1.26 -4.68 120.40 118.27 1u71 s VAL 169 Ca 0.50 0.66 0.08 0.00 0.00 0.00 0.00 61.98 63.21 1u71 s VAL 169 Cb -0.05 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1u71 s VAL 169 CO 0.29 0.11 0.19 -1.10 0.00 0.00 0.00 175.10 174.59 1u71 s GLN 170 N -0.53 2.40 -0.20 2.72 -1.52 0.19 -4.94 119.66 117.78 1u71 s GLN 170 Ca 0.57 -1.56 -0.09 0.00 -1.95 0.00 0.00 55.36 52.33 1u71 s GLN 170 Cb -0.41 -2.20 0.07 0.00 -0.22 0.00 0.00 33.01 30.26 1u71 s GLN 170 CO 0.44 0.04 0.45 -2.00 -0.25 0.00 0.00 175.29 173.97 1u71 s GLU 171 N -3.90 0.41 -0.08 2.91 2.12 -1.26 -1.99 118.70 116.90 1u71 s GLU 171 Ca 0.40 0.95 -0.06 0.00 0.36 0.00 0.00 54.97 56.62 1u71 s GLU 171 Cb -0.02 0.15 0.03 0.00 0.26 0.00 0.00 34.13 34.55 1u71 s GLU 171 CO 0.24 -0.19 0.20 -2.00 -0.54 0.00 0.00 175.26 172.96 1u71 s GLU 172 N 1.90 0.20 -1.05 4.30 2.12 -0.55 -4.90 118.70 120.73 1u71 s GLU 172 Ca -0.07 0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.58 1u71 s GLU 172 Cb -0.09 0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.33 1u71 s GLU 172 CO -0.14 -0.08 0.11 1.63 -0.54 0.00 0.00 175.26 176.25 1u71 n LYS 173 N 3.42 -2.57 -0.92 4.30 5.02 -1.26 -1.09 118.16 125.06 1u71 n LYS 173 Ca -0.17 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1u71 n LYS 173 Cb 0.56 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.41 1u71 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u71 n GLY 174 N -0.88 0.74 3.39 0.72 0.00 -1.26 -5.02 105.19 102.89 1u71 n GLY 174 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1u71 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u71 s ILE 175 N -2.89 4.09 0.03 -0.61 1.01 -0.25 -5.12 121.20 117.47 1u71 s ILE 175 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 1u71 s ILE 175 Cb 0.00 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 1u71 s ILE 175 CO 0.00 0.25 0.36 -0.54 0.00 0.00 0.00 174.94 175.01 1u71 s LYS 176 N 1.56 3.74 0.14 2.79 1.02 -1.26 -1.49 119.74 126.24 1u71 s LYS 176 Ca 0.05 0.16 -0.12 0.00 0.02 0.00 0.00 55.97 56.07 1u71 s LYS 176 Cb -0.16 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1u71 s LYS 176 CO 0.02 0.62 0.33 1.52 -0.92 0.00 0.00 175.35 176.93 1u71 s TYR 177 N -1.28 0.06 0.04 3.18 -0.85 -0.84 -0.84 117.35 116.81 1u71 s TYR 177 Ca 0.28 -0.43 -0.05 0.00 -0.52 0.00 0.00 57.07 56.36 1u71 s TYR 177 Cb -0.14 0.11 -0.01 0.00 0.38 0.00 0.00 41.96 42.30 1u71 s TYR 177 CO 0.16 -0.70 0.08 -1.59 -1.52 0.00 0.00 175.55 171.98 1u71 s LYS 178 N -3.87 0.56 -0.14 -3.49 -2.85 -0.41 0.53 119.74 110.07 1u71 s LYS 178 Ca 0.08 -0.74 -0.06 0.00 -1.00 0.00 0.00 55.97 54.25 1u71 s LYS 178 Cb 0.03 0.22 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 1u71 s LYS 178 CO -0.07 -0.14 0.07 -0.06 0.10 0.00 0.00 175.35 175.25 1u71 s PHE 179 N -2.52 3.33 0.01 1.78 0.40 -1.26 -0.53 117.98 119.19 1u71 s PHE 179 Ca -0.06 0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.52 1u71 s PHE 179 Cb -0.02 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.54 1u71 s PHE 179 CO -0.04 0.40 -0.06 -1.21 0.70 0.00 0.00 175.22 175.01 1u71 s GLU 180 N -0.35 0.43 -0.14 0.44 2.02 0.45 -4.85 118.70 116.71 1u71 s GLU 180 Ca 0.09 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.69 1u71 s GLU 180 Cb -0.12 -0.32 0.01 0.00 0.10 0.00 0.00 34.13 33.81 1u71 s GLU 180 CO 0.02 0.07 -0.21 0.08 0.02 0.00 0.00 175.26 175.24 1u71 s VAL 181 N -0.65 2.01 0.05 2.63 1.01 -1.26 -0.63 120.40 123.56 1u71 s VAL 181 Ca -0.03 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.06 1u71 s VAL 181 Cb -0.05 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1u71 s VAL 181 CO 0.00 0.54 -0.12 -0.31 0.00 0.00 0.00 175.10 175.21 1u71 s TYR 182 N 0.87 2.71 -0.01 5.22 1.51 0.21 -0.67 117.35 127.18 1u71 s TYR 182 Ca -0.06 -0.16 0.04 0.00 -1.01 0.00 0.00 57.07 55.87 1u71 s TYR 182 Cb -0.15 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 1u71 s TYR 182 CO -0.03 0.35 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.64 1u71 s GLU 183 N -1.71 0.98 0.13 -0.62 2.12 -0.30 -0.35 118.70 118.96 1u71 s GLU 183 Ca 0.18 -0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.08 1u71 s GLU 183 Cb -0.11 -0.95 -0.04 0.00 0.26 0.00 0.00 34.13 33.29 1u71 s GLU 183 CO 0.09 0.26 -0.03 0.21 -0.54 0.00 0.00 175.26 175.25 1u71 s LYS 184 N -0.31 0.97 -0.30 4.30 2.20 0.11 -0.96 119.74 125.75 1u71 s LYS 184 Ca 0.05 -1.43 -0.05 0.00 -0.36 0.00 0.00 55.97 54.17 1u71 s LYS 184 Cb -0.05 -0.21 0.19 0.00 -1.51 0.00 0.00 37.83 36.25 1u71 s LYS 184 CO -0.00 -0.08 0.78 1.21 -0.36 0.00 0.00 175.35 176.89 1u71 s ASN 185 N -3.10 -1.04 0.00 1.43 3.04 -1.26 -2.21 114.94 111.79 1u71 s ASN 185 Ca 0.18 0.56 0.00 0.00 0.04 0.00 0.00 52.86 53.64 1u71 s ASN 185 Cb 0.06 1.84 0.00 0.00 -1.54 0.00 0.00 41.25 41.60 1u71 s ASN 185 CO -0.00 -0.19 0.00 -0.90 -3.04 0.00 0.00 177.10 172.96