#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a58 s SER 2 N 0.00 5.57 0.55 7.83 0.15 -1.26 -4.86 113.70 121.67 1a58 s SER 2 Ca 0.00 0.06 0.33 0.00 0.70 0.00 0.00 55.95 57.04 1a58 s SER 2 Cb 0.00 -1.14 1.33 0.00 -1.71 0.00 0.00 66.02 64.50 1a58 s SER 2 CO 0.00 -0.90 1.97 0.50 1.20 0.00 0.00 173.24 176.02 1a58 h LYS 3 N 0.30 0.00 -0.00 5.44 3.64 -2.01 -2.11 116.57 121.82 1a58 h LYS 3 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1a58 h LYS 3 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1a58 h LYS 3 CO 0.54 0.00 -0.01 0.36 -2.27 0.00 0.00 179.45 178.07 1a58 n LYS 4 N -3.09 0.80 0.03 1.90 2.85 -1.26 -3.13 118.16 116.25 1a58 n LYS 4 Ca 0.01 -0.06 0.13 0.00 -1.05 0.00 0.00 58.31 57.33 1a58 n LYS 4 Cb 0.31 -1.50 0.39 0.00 -0.65 0.00 0.00 35.03 33.58 1a58 n LYS 4 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1a58 n ASP 5 N -1.04 0.42 -4.68 -5.58 9.92 -0.79 -4.90 116.55 109.89 1a58 n ASP 5 Ca 0.19 0.21 -0.42 0.00 -0.53 0.00 0.00 54.79 54.24 1a58 n ASP 5 Cb 0.18 -0.19 -0.03 0.00 -0.64 0.00 0.00 41.12 40.44 1a58 n ASP 5 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1a58 s ARG 6 N -3.05 4.19 0.40 -1.24 0.52 -1.18 -4.72 118.95 113.87 1a58 s ARG 6 Ca 0.11 2.31 -0.01 0.00 -0.52 0.00 0.00 55.73 57.62 1a58 s ARG 6 Cb 0.16 -3.79 -0.03 0.00 0.52 0.00 0.00 34.95 31.81 1a58 s ARG 6 CO 0.63 -0.79 0.64 1.03 0.02 0.00 0.00 175.30 176.83 1a58 s ARG 7 N 3.31 3.45 -0.03 3.54 1.81 -1.17 -4.87 118.95 125.00 1a58 s ARG 7 Ca 0.75 -0.17 0.08 0.00 -1.72 0.00 0.00 55.73 54.67 1a58 s ARG 7 Cb -0.38 -2.55 -0.02 0.00 -0.45 0.00 0.00 34.95 31.55 1a58 s ARG 7 CO 0.32 -0.02 -0.26 1.03 -0.68 0.00 0.00 175.30 175.70 1a58 s ARG 8 N -4.49 2.19 0.09 3.54 0.52 -1.26 -0.35 118.95 119.19 1a58 s ARG 8 Ca 0.43 -0.92 0.04 0.00 -0.52 0.00 0.00 55.73 54.76 1a58 s ARG 8 Cb -0.10 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 1a58 s ARG 8 CO 0.39 0.53 -0.11 0.54 0.02 0.00 0.00 175.30 176.67 1a58 s VAL 9 N -0.54 0.98 0.14 3.52 0.11 -0.36 -0.60 120.40 123.66 1a58 s VAL 9 Ca 0.08 -1.53 0.07 0.00 -2.93 0.00 0.00 61.98 57.66 1a58 s VAL 9 Cb -0.11 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1a58 s VAL 9 CO -0.00 -0.46 -0.15 0.72 -3.33 0.00 0.00 175.10 171.88 1a58 s PHE 10 N -2.08 1.54 -0.10 1.54 -0.71 -0.02 -1.32 117.98 116.84 1a58 s PHE 10 Ca 0.03 -0.54 -0.02 0.00 -1.04 0.00 0.00 56.93 55.35 1a58 s PHE 10 Cb -0.05 -0.78 0.04 0.00 -1.21 0.00 0.00 43.02 41.01 1a58 s PHE 10 CO 0.01 0.21 0.04 -0.51 -1.34 0.00 0.00 175.22 173.63 1a58 s LEU 11 N -2.60 0.48 -0.29 -1.99 1.43 -0.32 -2.50 118.68 112.89 1a58 s LEU 11 Ca 0.12 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 52.83 1a58 s LEU 11 Cb -0.05 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.82 1a58 s LEU 11 CO 0.04 -0.26 0.42 -1.81 0.23 0.00 0.00 176.35 174.97 1a58 s ASP 12 N 2.05 6.28 -0.05 2.29 1.01 0.41 -0.58 116.67 128.08 1a58 s ASP 12 Ca 0.04 0.22 0.02 0.00 0.71 0.00 0.00 52.55 53.54 1a58 s ASP 12 Cb -0.14 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 1a58 s ASP 12 CO -0.06 -0.26 -0.10 -0.69 0.21 0.00 0.00 175.17 174.27 1a58 s VAL 13 N 2.15 3.43 0.06 -1.27 1.01 -0.32 -0.12 120.40 125.35 1a58 s VAL 13 Ca 0.16 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1a58 s VAL 13 Cb -0.16 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1a58 s VAL 13 CO 0.11 0.58 -0.25 0.42 0.00 0.00 0.00 175.10 175.95 1a58 s THR 14 N -0.80 2.31 -0.28 3.92 -4.23 0.01 -0.50 115.64 116.08 1a58 s THR 14 Ca 0.12 -1.42 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1a58 s THR 14 Cb -0.11 -1.94 0.06 0.00 1.34 0.00 0.00 72.50 71.85 1a58 s THR 14 CO 0.02 0.30 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.70 1a58 s ILE 15 N -0.89 2.36 -1.36 2.99 1.01 0.48 -1.04 121.20 124.76 1a58 s ILE 15 Ca 0.13 -1.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.04 1a58 s ILE 15 Cb -0.10 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.97 1a58 s ILE 15 CO 0.04 -0.12 0.99 0.47 0.00 0.00 0.00 174.94 176.32 1a58 n ASP 16 N 4.45 -3.90 0.00 3.58 8.00 0.51 -1.92 116.55 127.27 1a58 n ASP 16 Ca -0.12 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1a58 n ASP 16 Cb 0.42 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 1a58 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a58 n GLY 17 N -1.64 3.00 3.67 0.44 0.00 -1.26 -5.00 105.19 104.40 1a58 n GLY 17 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1a58 n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a58 s ASN 18 N -1.41 6.66 -0.02 1.61 0.02 -0.81 -4.97 114.94 116.03 1a58 s ASN 18 Ca 0.00 0.80 -0.30 0.00 -1.02 0.00 0.00 52.86 52.34 1a58 s ASN 18 Cb 0.00 -2.33 -0.08 0.00 0.02 0.00 0.00 41.25 38.86 1a58 s ASN 18 CO 0.00 -0.22 2.02 -0.22 0.02 0.00 0.00 177.10 178.71 1a58 s LEU 19 N 1.68 4.22 0.03 0.60 2.96 -1.26 -0.38 118.68 126.52 1a58 s LEU 19 Ca 0.27 2.50 0.12 0.00 -0.22 0.00 0.00 54.13 56.81 1a58 s LEU 19 Cb -0.16 -3.53 -0.20 0.00 0.50 0.00 0.00 46.19 42.81 1a58 s LEU 19 CO 0.10 -1.25 0.88 0.00 -1.32 0.00 0.00 176.35 174.76 1a58 h ALA 20 N 11.58 0.65 0.00 5.97 0.00 -1.13 -3.47 119.26 132.85 1a58 h ALA 20 Ca -0.48 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.23 1a58 h ALA 20 Cb 1.24 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1a58 h ALA 20 CO 0.95 1.38 0.00 0.41 0.00 0.00 0.00 179.25 181.98 1a58 n GLY 21 N 1.47 0.86 3.46 0.00 0.00 -1.17 -4.83 105.19 104.97 1a58 n GLY 21 Ca -0.11 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 1a58 n GLY 21 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a58 s ARG 22 N -1.64 3.32 -0.27 1.61 3.52 -1.26 -1.17 118.95 123.07 1a58 s ARG 22 Ca 0.00 -0.60 -0.08 0.00 -0.13 0.00 0.00 55.73 54.91 1a58 s ARG 22 Cb 0.00 -2.71 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 1a58 s ARG 22 CO 0.00 0.33 0.10 0.42 -0.81 0.00 0.00 175.30 175.34 1a58 s ILE 23 N 0.09 4.47 -0.16 4.11 1.01 0.25 -4.00 121.20 126.97 1a58 s ILE 23 Ca -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 1a58 s ILE 23 Cb -0.14 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 1a58 s ILE 23 CO 0.04 0.27 -0.02 -0.69 0.00 0.00 0.00 174.94 174.53 1a58 s VAL 24 N 1.63 4.02 0.01 2.92 1.01 -0.64 -1.17 120.40 128.18 1a58 s VAL 24 Ca 0.06 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1a58 s VAL 24 Cb -0.16 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1a58 s VAL 24 CO 0.05 0.49 -0.22 -0.04 0.00 0.00 0.00 175.10 175.39 1a58 s MET 25 N 0.30 1.64 -0.25 2.72 -1.94 -0.43 -0.41 119.30 120.93 1a58 s MET 25 Ca -0.03 -0.86 -0.10 0.00 -1.71 0.00 0.00 55.69 53.00 1a58 s MET 25 Cb -0.14 -1.66 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 1a58 s MET 25 CO 0.03 0.44 0.14 -2.00 -0.01 0.00 0.00 175.02 173.62 1a58 s GLU 26 N -0.79 3.93 -0.14 2.03 2.12 0.09 -1.22 118.70 124.72 1a58 s GLU 26 Ca 0.08 -0.34 -0.17 0.00 0.36 0.00 0.00 54.97 54.91 1a58 s GLU 26 Cb -0.09 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1a58 s GLU 26 CO 0.00 -0.04 0.43 -0.51 -0.54 0.00 0.00 175.26 174.60 1a58 s LEU 27 N 1.31 4.24 -1.34 2.70 1.02 0.53 -1.95 118.68 125.19 1a58 s LEU 27 Ca 0.06 0.70 -0.10 0.00 0.02 0.00 0.00 54.13 54.81 1a58 s LEU 27 Cb -0.14 -2.60 0.12 0.00 0.02 0.00 0.00 46.19 43.59 1a58 s LEU 27 CO 0.06 -0.00 2.04 -1.22 0.02 0.00 0.00 176.35 177.24 1a58 n TYR 28 N 3.84 3.03 0.16 0.29 4.02 -0.43 -3.03 117.16 125.04 1a58 n TYR 28 Ca -0.08 -2.84 0.17 0.00 -0.01 0.00 0.00 57.90 55.13 1a58 n TYR 28 Cb 0.51 -2.11 0.76 0.00 -0.02 0.00 0.00 39.34 38.49 1a58 n TYR 28 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1a58 h ASN 29 N 5.70 0.00 1.59 7.72 4.21 -1.84 -0.66 115.58 132.29 1a58 h ASN 29 Ca 0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.98 1a58 h ASN 29 Cb 0.60 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1a58 h ASN 29 CO 1.69 0.00 0.00 -2.24 -1.29 0.00 0.00 177.43 175.59 1a58 h ASP 30 N 0.00 0.00 0.00 5.81 2.03 -1.86 -3.06 116.42 119.34 1a58 h ASP 30 Ca 0.12 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.20 1a58 h ASP 30 Cb 0.56 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.02 1a58 h ASP 30 CO -0.00 0.00 -1.83 -0.38 -1.03 0.00 0.00 179.24 175.99 1a58 n ILE 31 N -2.63 0.84 -3.30 4.15 5.41 -0.42 -4.68 119.36 118.73 1a58 n ILE 31 Ca 0.04 -0.38 -0.25 0.00 1.00 0.00 0.00 62.75 63.16 1a58 n ILE 31 Cb 0.45 -0.92 -0.08 0.00 -0.71 0.00 0.00 39.64 38.38 1a58 n ILE 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1a58 n ALA 32 N -2.77 2.83 -0.11 -1.39 0.00 -0.39 -4.91 120.51 113.77 1a58 n ALA 32 Ca -0.24 -3.64 -0.05 0.00 0.00 0.00 0.00 53.44 49.51 1a58 n ALA 32 Cb 0.81 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 19.47 1a58 n ALA 32 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a58 h PRO 33 N 4.37 0.15 -0.29 0.00 0.13 -1.75 -1.31 132.00 133.31 1a58 h PRO 33 Ca 0.13 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1a58 h PRO 33 Cb 0.84 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1a58 h PRO 33 CO 0.52 0.10 -0.05 0.00 -0.23 0.00 0.00 178.00 178.34 1a58 h ARG 34 N 0.15 0.54 -0.54 0.86 3.08 -1.95 -0.96 114.38 115.57 1a58 h ARG 34 Ca 0.19 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1a58 h ARG 34 Cb 0.24 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1a58 h ARG 34 CO -0.28 0.73 0.03 1.15 -1.07 0.00 0.00 179.97 180.53 1a58 h THR 35 N 0.31 1.26 -0.34 2.04 2.02 -1.94 -0.93 112.91 115.33 1a58 h THR 35 Ca 0.08 -1.06 -0.14 0.00 0.77 0.00 0.00 66.41 66.06 1a58 h THR 35 Cb 0.52 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1a58 h THR 35 CO 0.02 0.38 -0.35 0.00 0.37 0.00 0.00 175.52 175.94 1a58 h ASN 37 N 0.64 0.68 -0.12 0.00 -1.24 -1.06 0.02 115.58 114.51 1a58 h ASN 37 Ca 0.06 -0.32 0.01 0.00 0.71 0.00 0.00 56.30 56.76 1a58 h ASN 37 Cb 0.89 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.74 1a58 h ASN 37 CO 0.08 0.84 0.02 -1.13 -1.29 0.00 0.00 177.43 175.95 1a58 h ASN 38 N 0.51 0.00 -0.19 1.15 -1.24 -1.06 -0.54 115.58 114.20 1a58 h ASN 38 Ca 0.11 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 1a58 h ASN 38 Cb 0.51 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 1a58 h ASN 38 CO 0.02 0.02 0.10 0.15 -1.29 0.00 0.00 177.43 176.44 1a58 h PHE 39 N 0.07 0.26 -0.62 0.67 3.57 -1.21 -1.47 116.94 118.21 1a58 h PHE 39 Ca 0.05 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1a58 h PHE 39 Cb 0.05 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1a58 h PHE 39 CO -0.12 0.24 0.40 1.25 -2.23 0.00 0.00 178.31 177.85 1a58 h LEU 40 N 0.20 0.67 -1.17 0.59 7.12 -0.83 -1.89 115.31 120.00 1a58 h LEU 40 Ca 0.07 -0.01 -0.07 0.00 0.13 0.00 0.00 57.88 58.00 1a58 h LEU 40 Cb 0.06 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.03 1a58 h LEU 40 CO -0.01 0.48 -0.17 0.24 -0.13 0.00 0.00 178.44 178.84 1a58 h MET 41 N 0.80 0.37 0.00 1.25 2.86 -0.90 -2.34 114.93 116.97 1a58 h MET 41 Ca 0.24 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 1a58 h MET 41 Cb -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1a58 h MET 41 CO -0.08 0.54 -0.48 -0.07 1.06 0.00 0.00 176.91 177.88 1a58 h LEU 42 N 0.34 0.00 -0.12 1.22 3.38 -0.58 0.22 115.31 119.77 1a58 h LEU 42 Ca 0.06 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.79 1a58 h LEU 42 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1a58 h LEU 42 CO 0.03 0.48 -0.96 0.00 0.09 0.00 0.00 178.44 178.09 1a58 h THR 44 N 0.32 0.40 -0.01 0.00 1.35 -1.34 -3.16 112.91 110.47 1a58 h THR 44 Ca -0.09 -1.78 -0.00 0.00 -0.55 0.00 0.00 66.41 63.98 1a58 h THR 44 Cb 1.60 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 69.95 1a58 h THR 44 CO 0.18 0.23 -0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1a58 n GLY 45 N 1.34 0.43 0.80 5.82 0.00 0.75 -4.93 105.19 109.40 1a58 n GLY 45 Ca -0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 1a58 n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a58 n MET 46 N -2.40 1.21 0.00 1.61 2.81 -1.23 -3.48 117.12 115.65 1a58 n MET 46 Ca -0.00 -0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 1a58 n MET 46 Cb 0.08 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1a58 n MET 46 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a58 n ALA 47 N 0.18 2.19 0.00 3.04 0.00 -1.26 -5.09 120.51 119.57 1a58 n ALA 47 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1a58 n ALA 47 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1a58 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a58 n GLY 48 N 0.04 0.21 3.89 0.00 0.00 -1.23 -4.96 105.19 103.15 1a58 n GLY 48 Ca 0.00 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 1a58 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a58 s THR 49 N 0.00 5.02 0.24 2.61 -4.23 -1.26 -0.71 115.64 117.31 1a58 s THR 49 Ca 0.00 -0.85 -0.30 0.00 -1.18 0.00 0.00 61.69 59.35 1a58 s THR 49 Cb 0.00 -3.59 -0.10 0.00 1.34 0.00 0.00 72.50 70.14 1a58 s THR 49 CO 0.00 -0.12 1.50 -0.83 -0.54 0.00 0.00 174.62 174.63 1a58 s GLY 50 N -3.25 2.10 0.11 3.99 0.00 0.36 -4.80 107.32 105.82 1a58 s GLY 50 Ca 0.33 1.39 -0.27 0.00 0.00 0.00 0.00 44.72 46.17 1a58 s GLY 50 CO 0.27 2.42 1.64 1.70 0.00 0.00 0.00 173.10 179.12 1a58 h LYS 51 N 5.41 -0.47 0.19 2.90 1.63 -1.89 0.51 116.57 124.85 1a58 h LYS 51 Ca -0.45 0.03 -0.35 0.00 -0.85 0.00 0.00 60.65 59.03 1a58 h LYS 51 Cb 1.21 0.11 0.01 0.00 -0.60 0.00 0.00 32.23 32.96 1a58 h LYS 51 CO 0.81 -0.31 -1.72 0.82 -3.45 0.00 0.00 179.45 175.60 1a58 h ILE 52 N -0.48 0.96 0.00 2.00 2.04 -1.94 -3.38 117.51 116.71 1a58 h ILE 52 Ca 0.02 -2.52 -0.05 0.00 1.00 0.00 0.00 64.86 63.32 1a58 h ILE 52 Cb 0.50 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 1a58 h ILE 52 CO -0.14 0.85 -0.70 0.77 0.00 0.00 0.00 178.15 178.94 1a58 h SER 53 N 0.09 0.00 -0.55 1.72 4.64 -1.97 -3.48 113.55 114.00 1a58 h SER 53 Ca -0.34 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.74 1a58 h SER 53 Cb 2.09 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 64.09 1a58 h SER 53 CO 0.18 0.18 -0.22 0.61 -0.87 0.00 0.00 176.83 176.72 1a58 n GLY 54 N 1.20 1.18 3.76 -0.77 0.00 0.18 -4.90 105.19 105.84 1a58 n GLY 54 Ca -0.00 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1a58 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a58 s LYS 55 N -2.87 2.77 0.10 1.61 1.02 -1.26 -4.63 119.74 116.48 1a58 s LYS 55 Ca 0.00 -0.96 -0.35 0.00 0.02 0.00 0.00 55.97 54.69 1a58 s LYS 55 Cb 0.00 -2.56 -0.14 0.00 -0.52 0.00 0.00 37.83 34.61 1a58 s LYS 55 CO 0.00 0.47 1.60 -2.30 -0.92 0.00 0.00 175.35 174.19 1a58 n PRO 56 N -0.37 1.97 -2.58 -1.68 -0.02 -1.26 0.13 135.00 131.19 1a58 n PRO 56 Ca -0.09 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.68 1a58 n PRO 56 Cb 0.55 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1a58 n PRO 56 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1a58 n LEU 57 N 3.86 5.38 -3.64 2.45 4.77 0.11 -4.77 117.00 125.16 1a58 n LEU 57 Ca 0.18 -4.18 -0.05 0.00 -0.03 0.00 0.00 56.01 51.94 1a58 n LEU 57 Cb 0.27 -1.68 -0.07 0.00 -2.33 0.00 0.00 43.42 39.61 1a58 n LEU 57 CO 0.65 0.54 0.82 -2.28 -1.33 0.00 0.00 177.39 175.79 1a58 s HIS 58 N 2.95 -0.39 0.65 -1.77 5.65 -1.26 -4.25 115.29 116.87 1a58 s HIS 58 Ca 0.48 0.88 0.43 0.00 0.25 0.00 0.00 55.06 57.10 1a58 s HIS 58 Cb 0.03 0.35 2.35 0.00 -1.18 0.00 0.00 32.58 34.14 1a58 s HIS 58 CO 0.03 -0.19 2.36 1.88 -0.65 0.00 0.00 174.74 178.16 1a58 h TYR 59 N 4.70 0.00 -1.83 3.88 0.05 -1.01 -3.45 116.97 119.32 1a58 h TYR 59 Ca -0.28 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.84 1a58 h TYR 59 Cb 1.18 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.94 1a58 h TYR 59 CO 0.22 0.00 1.00 1.17 -1.05 0.00 0.00 178.16 179.50 1a58 n LYS 60 N -3.18 1.74 0.00 4.88 0.00 -1.26 -0.73 118.16 119.60 1a58 n LYS 60 Ca -0.03 0.64 0.00 0.00 0.00 0.00 0.00 58.31 58.92 1a58 n LYS 60 Cb 0.08 -2.41 0.00 0.00 0.00 0.00 0.00 35.03 32.70 1a58 n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a58 n GLY 61 N 4.25 2.29 3.76 3.14 0.00 -0.23 -5.04 105.19 113.37 1a58 n GLY 61 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1a58 n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a58 s SER 62 N -1.87 2.61 0.40 1.61 1.04 0.09 -4.66 113.70 112.91 1a58 s SER 62 Ca 0.00 0.71 0.03 0.00 0.48 0.00 0.00 55.95 57.17 1a58 s SER 62 Cb 0.00 -1.06 -0.04 0.00 0.10 0.00 0.00 66.02 65.02 1a58 s SER 62 CO 0.00 -3.09 0.08 0.42 0.98 0.00 0.00 173.24 171.63 1a58 s THR 63 N -3.33 0.98 -0.52 2.02 -4.23 -1.26 -1.26 115.64 108.03 1a58 s THR 63 Ca 0.68 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.09 1a58 s THR 63 Cb -0.11 -2.49 0.13 0.00 1.34 0.00 0.00 72.50 71.37 1a58 s THR 63 CO 0.54 0.00 0.41 -0.36 -0.54 0.00 0.00 174.62 174.68 1a58 s PHE 64 N -3.14 3.41 -1.26 3.99 0.08 -0.91 -3.63 117.98 116.53 1a58 s PHE 64 Ca 0.25 -1.80 0.27 0.00 0.12 0.00 0.00 56.93 55.77 1a58 s PHE 64 Cb 0.05 -3.57 0.91 0.00 -0.57 0.00 0.00 43.02 39.84 1a58 s PHE 64 CO 0.13 -0.99 1.68 -2.39 -0.10 0.00 0.00 175.22 173.55 1a58 n HIS 65 N 4.84 0.00 -3.73 0.36 1.44 -0.97 -4.64 115.22 112.53 1a58 n HIS 65 Ca -0.07 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.50 1a58 n HIS 65 Cb 0.41 -0.28 -0.14 0.00 0.12 0.00 0.00 29.99 30.10 1a58 n HIS 65 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1a58 s ARG 66 N -2.80 0.11 -0.04 -1.40 3.52 -1.19 -4.10 118.95 113.05 1a58 s ARG 66 Ca 0.18 0.45 0.01 0.00 -0.13 0.00 0.00 55.73 56.24 1a58 s ARG 66 Cb 0.19 -0.18 0.02 0.00 -1.56 0.00 0.00 34.95 33.42 1a58 s ARG 66 CO 0.58 -0.19 -0.04 0.14 -0.81 0.00 0.00 175.30 174.97 1a58 s VAL 67 N 1.43 0.47 -0.27 7.11 -7.23 -0.79 -0.12 120.40 121.00 1a58 s VAL 67 Ca -0.07 -0.10 -0.01 0.00 -1.81 0.00 0.00 61.98 59.99 1a58 s VAL 67 Cb -0.11 -0.51 0.04 0.00 0.56 0.00 0.00 36.38 36.36 1a58 s VAL 67 CO -0.07 0.21 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.26 1a58 s ILE 68 N 0.88 2.88 0.16 -0.62 -1.09 0.51 -4.81 121.20 119.11 1a58 s ILE 68 Ca -0.11 -1.22 -0.34 0.00 -2.23 0.00 0.00 60.65 56.75 1a58 s ILE 68 Cb -0.14 -2.56 -0.14 0.00 -1.58 0.00 0.00 42.46 38.04 1a58 s ILE 68 CO 0.00 0.05 1.52 1.17 -1.23 0.00 0.00 174.94 176.45 1a58 n LYS 69 N 4.63 1.99 -0.94 2.79 4.81 -1.26 -1.35 118.16 128.85 1a58 n LYS 69 Ca -0.15 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1a58 n LYS 69 Cb 0.45 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1a58 n LYS 69 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1a58 n ASN 70 N 3.14 -0.18 0.09 3.14 3.02 -1.26 -4.82 115.26 118.40 1a58 n ASN 70 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1a58 n ASN 70 Cb 0.28 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1a58 n ASN 70 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1a58 n PHE 71 N -2.04 -1.43 -3.83 3.10 7.35 -0.46 -4.62 117.46 115.52 1a58 n PHE 71 Ca 0.00 0.25 -0.05 0.00 -0.76 0.00 0.00 57.45 56.89 1a58 n PHE 71 Cb 0.00 0.39 0.01 0.00 0.35 0.00 0.00 39.48 40.23 1a58 n PHE 71 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1a58 s MET 72 N -2.00 1.60 -0.02 -4.13 0.23 -0.87 0.21 119.30 114.33 1a58 s MET 72 Ca 0.00 -0.99 0.02 0.00 -1.03 0.00 0.00 55.69 53.69 1a58 s MET 72 Cb 0.00 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.78 1a58 s MET 72 CO 0.00 -0.75 -0.07 0.96 -2.03 0.00 0.00 175.02 173.14 1a58 s ILE 73 N -2.66 0.56 -0.02 3.16 -4.36 -0.83 -0.36 121.20 116.69 1a58 s ILE 73 Ca 0.17 -0.26 0.06 0.00 -0.26 0.00 0.00 60.65 60.36 1a58 s ILE 73 Cb -0.03 -0.50 -0.01 0.00 1.25 0.00 0.00 42.46 43.16 1a58 s ILE 73 CO 0.07 0.18 -0.21 -1.58 0.24 0.00 0.00 174.94 173.64 1a58 s GLN 74 N 0.11 1.78 0.00 0.37 0.74 0.82 -1.25 119.66 122.24 1a58 s GLN 74 Ca -0.01 -0.74 0.00 0.00 0.05 0.00 0.00 55.36 54.66 1a58 s GLN 74 Cb -0.06 -1.67 0.00 0.00 1.10 0.00 0.00 33.01 32.38 1a58 s GLN 74 CO -0.00 0.42 0.00 0.41 -0.55 0.00 0.00 175.29 175.57 1a58 n GLY 75 N 2.68 3.87 0.24 2.59 0.00 -0.66 -2.28 105.19 111.62 1a58 n GLY 75 Ca -0.16 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1a58 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a58 n GLY 76 N 0.00 0.29 3.51 -0.02 0.00 -1.24 -1.72 105.19 106.01 1a58 n GLY 76 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1a58 n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a58 s ASP 77 N -2.30 6.56 0.00 1.61 -1.08 -1.26 -4.03 116.67 116.16 1a58 s ASP 77 Ca 0.00 -1.73 0.27 0.00 -0.52 0.00 0.00 52.55 50.58 1a58 s ASP 77 Cb 0.00 -2.49 0.96 0.00 -1.46 0.00 0.00 42.92 39.93 1a58 s ASP 77 CO 0.00 -1.30 1.69 2.22 0.52 0.00 0.00 175.17 178.30 1a58 n PHE 78 N 7.78 0.00 -0.11 -5.34 1.16 -1.26 -2.44 117.46 117.25 1a58 n PHE 78 Ca 0.29 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.72 1a58 n PHE 78 Cb 0.50 -0.12 -0.11 0.00 -1.61 0.00 0.00 39.48 38.15 1a58 n PHE 78 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1a58 n THR 79 N -0.61 1.27 -0.00 1.97 -2.24 -1.26 -4.77 114.28 108.64 1a58 n THR 79 Ca 0.14 -0.52 0.01 0.00 -2.27 0.00 0.00 64.05 61.41 1a58 n THR 79 Cb 0.32 -1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 67.34 1a58 n THR 79 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1a58 n LYS 80 N -3.09 0.34 -2.12 -0.78 4.76 -1.26 -4.96 118.16 111.05 1a58 n LYS 80 Ca -0.38 -0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 54.84 1a58 n LYS 80 Cb 0.94 -1.06 -0.04 0.00 -1.84 0.00 0.00 35.03 33.04 1a58 n LYS 80 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a58 n GLY 81 N 2.41 0.35 0.00 0.72 0.00 -1.02 -4.81 105.19 102.83 1a58 n GLY 81 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1a58 n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a58 n ASP 82 N -1.76 0.00 0.00 1.61 5.68 -1.26 -4.82 116.55 116.00 1a58 n ASP 82 Ca -0.23 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.06 1a58 n ASP 82 Cb 0.68 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 1a58 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a58 n GLY 83 N 0.00 1.38 0.24 6.12 0.00 -1.26 -4.93 105.19 106.74 1a58 n GLY 83 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1a58 n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a58 n THR 84 N -1.45 0.00 -1.83 2.61 -2.24 -1.26 -4.98 114.28 105.13 1a58 n THR 84 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1a58 n THR 84 Cb 0.00 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1a58 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a58 n GLY 85 N 1.43 4.14 0.00 3.38 0.00 -1.26 -4.98 105.19 107.90 1a58 n GLY 85 Ca 0.08 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1a58 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a58 n GLY 86 N 5.00 0.86 3.45 -0.02 0.00 -1.26 -4.82 105.19 108.40 1a58 n GLY 86 Ca 0.00 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 1a58 n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a58 s GLU 87 N -3.19 0.83 0.55 1.61 2.12 -1.26 -4.71 118.70 114.64 1a58 s GLU 87 Ca 0.00 0.37 -0.07 0.00 0.36 0.00 0.00 54.97 55.63 1a58 s GLU 87 Cb 0.00 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 1a58 s GLU 87 CO 0.00 -0.21 0.88 -1.54 -0.54 0.00 0.00 175.26 173.85 1a58 s SER 88 N -0.66 6.04 0.06 -1.70 1.04 -0.65 -4.07 113.70 113.76 1a58 s SER 88 Ca -0.07 0.97 0.17 0.00 0.48 0.00 0.00 55.95 57.49 1a58 s SER 88 Cb -0.03 -2.13 0.72 0.00 0.10 0.00 0.00 66.02 64.68 1a58 s SER 88 CO 0.05 -0.80 1.53 2.30 0.98 0.00 0.00 173.24 177.31 1a58 n ILE 89 N -2.47 0.94 1.27 -1.02 -5.35 -1.26 -2.27 119.36 109.21 1a58 n ILE 89 Ca 0.03 0.24 0.13 0.00 -0.27 0.00 0.00 62.75 62.88 1a58 n ILE 89 Cb 0.56 -1.03 0.41 0.00 -1.74 0.00 0.00 39.64 37.84 1a58 n ILE 89 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1a58 n TYR 90 N -1.69 0.00 -0.16 4.28 4.01 -1.26 -4.97 117.16 117.38 1a58 n TYR 90 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1a58 n TYR 90 Cb 0.19 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1a58 n TYR 90 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a58 n GLY 91 N 1.33 0.06 7.00 2.72 0.00 -0.96 -4.99 105.19 110.35 1a58 n GLY 91 Ca 0.13 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1a58 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a58 n GLY 92 N 2.28 2.20 3.90 -0.02 0.00 -1.26 -4.76 105.19 107.52 1a58 n GLY 92 Ca 0.00 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 1a58 n GLY 92 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a58 s MET 93 N 0.00 3.02 0.20 1.61 1.00 -1.26 -1.64 119.30 122.22 1a58 s MET 93 Ca 0.00 -1.05 0.07 0.00 0.00 0.00 0.00 55.69 54.71 1a58 s MET 93 Cb 0.00 -2.66 -0.05 0.00 0.00 0.00 0.00 34.83 32.12 1a58 s MET 93 CO 0.00 0.26 -0.12 -0.59 0.00 0.00 0.00 175.02 174.56 1a58 s PHE 94 N -2.16 1.62 0.78 -0.03 -0.71 0.39 -4.89 117.98 112.98 1a58 s PHE 94 Ca 0.38 -0.64 -0.12 0.00 -1.04 0.00 0.00 56.93 55.51 1a58 s PHE 94 Cb -0.08 -0.78 0.07 0.00 -1.21 0.00 0.00 43.02 41.02 1a58 s PHE 94 CO 0.27 0.28 1.12 -0.51 -1.34 0.00 0.00 175.22 175.05 1a58 s ASP 95 N -3.29 4.15 0.00 1.98 1.11 -1.26 -2.29 116.67 117.07 1a58 s ASP 95 Ca 0.22 2.02 -0.30 0.00 0.18 0.00 0.00 52.55 54.67 1a58 s ASP 95 Cb 0.01 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1a58 s ASP 95 CO 0.06 -2.28 1.10 -1.81 1.18 0.00 0.00 175.17 173.42 1a58 s ASP 96 N -2.89 7.19 0.84 0.27 1.01 -1.26 -4.87 116.67 116.97 1a58 s ASP 96 Ca 0.65 1.81 -0.12 0.00 0.71 0.00 0.00 52.55 55.60 1a58 s ASP 96 Cb -0.21 -2.57 0.10 0.00 1.01 0.00 0.00 42.92 41.25 1a58 s ASP 96 CO 0.53 -0.41 1.19 -1.61 0.21 0.00 0.00 175.17 175.07 1a58 s GLU 97 N 1.33 1.68 0.22 8.23 2.02 -1.26 -4.95 118.70 125.97 1a58 s GLU 97 Ca 0.55 0.09 -0.32 0.00 0.02 0.00 0.00 54.97 55.31 1a58 s GLU 97 Cb -0.25 -1.92 -0.14 0.00 0.10 0.00 0.00 34.13 31.93 1a58 s GLU 97 CO 0.26 -1.79 1.39 -1.91 0.02 0.00 0.00 175.26 173.24 1a58 n GLU 98 N -3.44 1.92 -1.06 1.61 2.13 -1.26 -4.82 120.64 115.71 1a58 n GLU 98 Ca 0.08 0.68 -0.28 0.00 0.66 0.00 0.00 57.16 58.31 1a58 n GLU 98 Cb 0.61 -2.33 -0.05 0.00 0.27 0.00 0.00 31.44 29.93 1a58 n GLU 98 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1a58 n PHE 99 N 1.99 1.62 0.38 4.31 3.72 -1.26 -4.67 117.46 123.54 1a58 n PHE 99 Ca 0.13 -2.41 -0.15 0.00 -0.05 0.00 0.00 57.45 54.96 1a58 n PHE 99 Cb 0.30 -2.05 -0.07 0.00 -0.94 0.00 0.00 39.48 36.72 1a58 n PHE 99 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1a58 h VAL 100 N 2.92 0.00 -3.99 -4.37 2.07 -1.91 -3.44 116.25 107.53 1a58 h VAL 100 Ca 0.62 -0.19 -0.50 0.00 0.82 0.00 0.00 66.70 67.45 1a58 h VAL 100 Cb 0.47 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1a58 h VAL 100 CO 1.37 0.00 0.47 -0.04 0.02 0.00 0.00 177.57 179.39 1a58 s MET 101 N -4.85 3.87 0.30 1.57 -1.94 -1.26 -5.06 119.30 111.93 1a58 s MET 101 Ca -0.14 1.71 0.09 0.00 -1.71 0.00 0.00 55.69 55.64 1a58 s MET 101 Cb 0.01 -2.45 -0.06 0.00 2.01 0.00 0.00 34.83 34.34 1a58 s MET 101 CO 0.43 -0.44 -0.11 0.15 -0.01 0.00 0.00 175.02 175.04 1a58 s LYS 102 N -2.63 1.68 -1.30 2.03 1.02 -1.26 -4.38 119.74 114.89 1a58 s LYS 102 Ca 0.62 -1.83 -0.06 0.00 0.02 0.00 0.00 55.97 54.71 1a58 s LYS 102 Cb -0.27 -1.53 0.07 0.00 -0.52 0.00 0.00 37.83 35.58 1a58 s LYS 102 CO 0.33 0.16 2.55 0.72 -0.92 0.00 0.00 175.35 178.19 1a58 n HIS 103 N -0.67 2.45 1.19 3.18 8.25 -1.26 -4.65 115.22 123.70 1a58 n HIS 103 Ca -0.05 -2.79 0.10 0.00 -0.26 0.00 0.00 57.72 54.71 1a58 n HIS 103 Cb 0.62 -1.93 0.34 0.00 1.12 0.00 0.00 29.99 30.14 1a58 n HIS 103 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1a58 n ASP 104 N 2.04 1.65 -3.47 0.41 5.68 -1.26 -0.53 116.55 121.07 1a58 n ASP 104 Ca 0.65 -1.75 -0.10 0.00 -0.50 0.00 0.00 54.79 53.08 1a58 n ASP 104 Cb 0.28 -0.13 -0.02 0.00 -1.14 0.00 0.00 41.12 40.11 1a58 n ASP 104 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1a58 s GLU 105 N -1.75 1.03 0.87 0.11 -1.05 -1.26 -4.83 118.70 111.83 1a58 s GLU 105 Ca 0.30 -0.35 -0.11 0.00 -0.15 0.00 0.00 54.97 54.67 1a58 s GLU 105 Cb 0.16 0.48 0.12 0.00 -0.44 0.00 0.00 34.13 34.45 1a58 s GLU 105 CO 0.24 -0.44 1.10 -1.25 0.95 0.00 0.00 175.26 175.85 1a58 s PRO 106 N -3.28 1.41 -1.11 -4.83 0.04 -1.26 -4.07 135.00 121.90 1a58 s PRO 106 Ca 0.02 1.07 -0.05 0.00 0.04 0.00 0.00 61.00 62.09 1a58 s PRO 106 Cb -0.01 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.73 1a58 s PRO 106 CO -0.10 -2.20 0.62 1.19 0.04 0.00 0.00 177.00 176.54 1a58 n PHE 107 N -3.89 -1.73 -3.66 0.56 3.72 0.81 -4.91 117.46 108.36 1a58 n PHE 107 Ca 0.08 0.53 -0.35 0.00 -0.05 0.00 0.00 57.45 57.66 1a58 n PHE 107 Cb 0.54 -3.77 -0.05 0.00 -0.94 0.00 0.00 39.48 35.25 1a58 n PHE 107 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1a58 s VAL 108 N -3.10 5.19 -0.26 -4.37 0.11 -1.26 -0.75 120.40 115.97 1a58 s VAL 108 Ca 0.31 0.34 -0.09 0.00 -2.93 0.00 0.00 61.98 59.60 1a58 s VAL 108 Cb -0.13 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1a58 s VAL 108 CO 0.38 0.34 0.12 -0.69 -3.33 0.00 0.00 175.10 171.93 1a58 s VAL 109 N -1.33 4.78 0.17 2.04 1.01 0.07 -2.31 120.40 124.83 1a58 s VAL 109 Ca 0.30 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.32 1a58 s VAL 109 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1a58 s VAL 109 CO 0.17 0.30 -0.12 -0.55 0.00 0.00 0.00 175.10 174.90 1a58 s SER 110 N 1.63 2.09 -0.04 3.32 0.15 -0.50 -1.53 113.70 118.83 1a58 s SER 110 Ca 0.07 -1.01 -0.26 0.00 0.70 0.00 0.00 55.95 55.45 1a58 s SER 110 Cb -0.15 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.06 1a58 s SER 110 CO 0.07 -0.26 0.80 -0.04 1.20 0.00 0.00 173.24 175.01 1a58 s MET 111 N -3.66 4.48 0.37 5.44 -1.94 -0.26 -1.08 119.30 122.65 1a58 s MET 111 Ca 0.18 1.07 -0.19 0.00 -1.71 0.00 0.00 55.69 55.05 1a58 s MET 111 Cb 0.01 -3.45 -0.10 0.00 2.01 0.00 0.00 34.83 33.30 1a58 s MET 111 CO 0.03 0.02 0.86 0.00 -0.01 0.00 0.00 175.02 175.92 1a58 s ALA 112 N 0.88 3.18 0.35 3.03 0.00 -0.70 -4.37 121.76 124.11 1a58 s ALA 112 Ca 0.43 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 1a58 s ALA 112 Cb -0.19 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1a58 s ALA 112 CO 0.22 0.22 0.59 0.54 0.00 0.00 0.00 175.76 177.32 1a58 s ASN 113 N -2.13 0.50 -0.24 0.00 6.03 -1.26 -4.54 114.94 113.31 1a58 s ASN 113 Ca 0.57 -1.31 0.12 0.00 -1.03 0.00 0.00 52.86 51.21 1a58 s ASN 113 Cb -0.11 0.72 0.45 0.00 -3.03 0.00 0.00 41.25 39.29 1a58 s ASN 113 CO 0.16 -1.42 1.19 0.29 -2.03 0.00 0.00 177.10 175.29 1a58 n LYS 114 N -0.54 2.47 0.00 3.55 4.76 -1.26 -5.08 118.16 122.06 1a58 n LYS 114 Ca -0.02 -3.65 0.00 0.00 -2.87 0.00 0.00 58.31 51.76 1a58 n LYS 114 Cb 0.61 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 1a58 n LYS 114 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a58 n GLY 115 N -0.72 1.60 3.66 0.72 0.00 -1.26 -4.97 105.19 104.23 1a58 n GLY 115 Ca 0.29 -2.21 -0.44 0.00 0.00 0.00 0.00 46.02 43.66 1a58 n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a58 n PRO 116 N -1.12 1.92 -3.71 1.61 -0.04 -1.26 -3.13 135.00 129.27 1a58 n PRO 116 Ca 0.00 0.68 -0.23 0.00 -0.04 0.00 0.00 63.50 63.91 1a58 n PRO 116 Cb 0.00 -2.26 0.04 0.00 -0.04 0.00 0.00 33.50 31.24 1a58 n PRO 116 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a58 n ASN 117 N 1.53 -2.18 -2.43 3.54 3.02 -1.26 -4.92 115.26 112.56 1a58 n ASN 117 Ca 0.09 -0.78 -0.12 0.00 -0.03 0.00 0.00 54.58 53.74 1a58 n ASN 117 Cb 0.33 -4.17 0.03 0.00 -0.61 0.00 0.00 39.78 35.37 1a58 n ASN 117 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1a58 n THR 118 N -4.38 1.90 -2.53 3.41 -2.24 -1.18 -4.54 114.28 104.73 1a58 n THR 118 Ca -0.22 -3.58 -0.42 0.00 -2.27 0.00 0.00 64.05 57.56 1a58 n THR 118 Cb 0.64 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1a58 n THR 118 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1a58 s ASN 119 N -3.70 7.19 0.00 3.42 0.01 -0.97 -4.25 114.94 116.64 1a58 s ASN 119 Ca 0.39 1.89 0.00 0.00 -0.71 0.00 0.00 52.86 54.43 1a58 s ASN 119 Cb 0.37 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.45 1a58 s ASN 119 CO -0.00 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.81 1a58 n GLY 120 N 3.08 1.39 0.00 0.66 0.00 -1.26 -0.46 105.19 108.60 1a58 n GLY 120 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1a58 n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a58 n SER 121 N 0.00 0.09 -4.76 1.61 3.41 -1.26 -3.79 113.62 108.93 1a58 n SER 121 Ca 0.00 -0.31 -0.40 0.00 -0.26 0.00 0.00 58.87 57.91 1a58 n SER 121 Cb 0.00 0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 64.53 1a58 n SER 121 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1a58 s GLN 122 N -0.65 4.75 0.19 4.33 -0.21 -1.26 -4.49 119.66 122.32 1a58 s GLN 122 Ca 0.00 1.58 -0.05 0.00 0.02 0.00 0.00 55.36 56.90 1a58 s GLN 122 Cb 0.00 -3.19 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 1a58 s GLN 122 CO 0.00 0.38 0.22 -0.59 -2.12 0.00 0.00 175.29 173.19 1a58 s PHE 123 N -1.22 0.76 0.02 0.91 -0.71 -0.70 -1.73 117.98 115.31 1a58 s PHE 123 Ca 0.43 -1.07 -0.03 0.00 -1.04 0.00 0.00 56.93 55.22 1a58 s PHE 123 Cb -0.27 -0.28 -0.01 0.00 -1.21 0.00 0.00 43.02 41.25 1a58 s PHE 123 CO 0.34 -0.71 0.04 -0.59 -1.34 0.00 0.00 175.22 172.97 1a58 s PHE 124 N -4.06 0.18 -0.21 3.49 -0.71 -0.24 -1.65 117.98 114.77 1a58 s PHE 124 Ca 0.28 -0.40 -0.01 0.00 -1.04 0.00 0.00 56.93 55.76 1a58 s PHE 124 Cb 0.05 -0.14 0.02 0.00 -1.21 0.00 0.00 43.02 41.73 1a58 s PHE 124 CO 0.07 -0.25 -0.12 0.42 -1.34 0.00 0.00 175.22 174.00 1a58 s ILE 125 N -1.60 2.61 0.66 -4.49 1.01 -0.38 -1.41 121.20 117.59 1a58 s ILE 125 Ca -0.14 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 1a58 s ILE 125 Cb -0.08 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 1a58 s ILE 125 CO -0.01 0.39 1.05 0.42 0.00 0.00 0.00 174.94 176.79 1a58 s THR 126 N 1.34 4.29 0.00 2.92 -4.23 -0.98 -1.97 115.64 117.02 1a58 s THR 126 Ca 0.03 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 1a58 s THR 126 Cb -0.15 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1a58 s THR 126 CO -0.08 -0.97 0.70 0.35 -0.54 0.00 0.00 174.62 174.08 1a58 n THR 127 N -2.89 0.49 -3.48 3.99 -2.24 0.13 -0.13 114.28 110.15 1a58 n THR 127 Ca 0.06 -0.63 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 1a58 n THR 127 Cb 0.55 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 1a58 n THR 127 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a58 s THR 128 N -0.49 0.01 0.63 4.28 -4.23 -1.26 -4.73 115.64 109.85 1a58 s THR 128 Ca 0.00 -0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.21 1a58 s THR 128 Cb 0.00 -1.02 -0.02 0.00 1.34 0.00 0.00 72.50 72.79 1a58 s THR 128 CO 0.00 -0.06 1.26 -2.16 -0.54 0.00 0.00 174.62 173.12 1a58 s PRO 129 N -3.41 2.72 -0.42 3.99 0.04 -1.26 -4.35 135.00 132.31 1a58 s PRO 129 Ca -0.00 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.10 1a58 s PRO 129 Cb -0.00 -1.88 0.30 0.00 0.04 0.00 0.00 34.50 32.95 1a58 s PRO 129 CO -0.10 -1.45 0.80 0.00 0.04 0.00 0.00 177.00 176.29 1a58 n ALA 130 N -1.77 0.80 0.31 8.56 0.00 0.31 -4.97 120.51 123.74 1a58 n ALA 130 Ca 0.15 -2.56 0.18 0.00 0.00 0.00 0.00 53.44 51.21 1a58 n ALA 130 Cb 0.49 -1.03 0.96 0.00 0.00 0.00 0.00 19.45 19.87 1a58 n ALA 130 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a58 h PRO 131 N 3.44 0.00 0.00 0.00 0.13 -1.94 -1.36 132.00 132.27 1a58 h PRO 131 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a58 h PRO 131 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1a58 h PRO 131 CO 0.37 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.75 1a58 n HIS 132 N -3.16 0.82 1.10 1.56 1.44 -1.26 -1.88 115.22 113.84 1a58 n HIS 132 Ca -0.01 0.32 0.12 0.00 -2.01 0.00 0.00 57.72 56.14 1a58 n HIS 132 Cb 0.27 -1.02 0.26 0.00 0.12 0.00 0.00 29.99 29.62 1a58 n HIS 132 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1a58 n LEU 133 N -2.24 0.83 -4.77 2.39 4.77 -0.51 -4.90 117.00 112.57 1a58 n LEU 133 Ca 0.02 -0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.41 1a58 n LEU 133 Cb 0.23 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1a58 n LEU 133 CO 0.20 0.18 1.05 0.20 -1.33 0.00 0.00 177.39 177.68 1a58 s ASN 134 N -2.77 6.35 -0.30 -1.43 0.01 -0.79 -1.98 114.94 114.04 1a58 s ASN 134 Ca 0.17 2.86 0.00 0.00 -0.71 0.00 0.00 52.86 55.17 1a58 s ASN 134 Cb 0.18 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1a58 s ASN 134 CO 0.63 -0.84 0.00 0.59 -1.51 0.00 0.00 177.10 175.97 1a58 n ASN 135 N 0.35 -4.16 0.00 -1.22 3.02 -1.26 -4.75 115.26 107.23 1a58 n ASN 135 Ca 0.02 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1a58 n ASN 135 Cb 0.41 -1.91 0.00 0.00 -0.61 0.00 0.00 39.78 37.67 1a58 n ASN 135 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1a58 n ILE 136 N -2.64 0.00 -5.14 2.41 5.41 -0.94 -5.05 119.36 113.41 1a58 n ILE 136 Ca -0.03 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.40 1a58 n ILE 136 Cb 0.23 -0.60 -0.16 0.00 -0.71 0.00 0.00 39.64 38.40 1a58 n ILE 136 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1a58 s HIS 137 N -1.75 2.59 -0.25 1.39 3.76 -0.84 -4.94 115.29 115.25 1a58 s HIS 137 Ca 0.00 -0.92 -0.29 0.00 -0.15 0.00 0.00 55.06 53.70 1a58 s HIS 137 Cb 0.00 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.97 1a58 s HIS 137 CO 0.00 -0.35 1.18 0.08 -0.85 0.00 0.00 174.74 174.80 1a58 s VAL 138 N 0.26 4.39 -0.07 -0.90 1.01 -1.26 -4.78 120.40 119.04 1a58 s VAL 138 Ca -0.15 1.63 -0.21 0.00 0.00 0.00 0.00 61.98 63.25 1a58 s VAL 138 Cb -0.17 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1a58 s VAL 138 CO 0.08 -0.32 0.61 -0.69 0.00 0.00 0.00 175.10 174.78 1a58 s VAL 139 N 3.70 5.07 0.00 2.92 1.01 -1.26 -1.10 120.40 130.73 1a58 s VAL 139 Ca 0.51 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1a58 s VAL 139 Cb -0.17 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1a58 s VAL 139 CO 0.15 0.31 0.07 2.22 0.00 0.00 0.00 175.10 177.85 1a58 n PHE 140 N 3.55 0.00 -3.87 5.22 -1.74 -0.58 -4.51 117.46 115.53 1a58 n PHE 140 Ca -0.04 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.74 1a58 n PHE 140 Cb 0.51 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.52 1a58 n PHE 140 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1a58 s GLY 141 N -0.05 0.68 -0.11 4.97 0.00 -1.09 -1.31 107.32 110.41 1a58 s GLY 141 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 44.72 43.64 1a58 s GLY 141 CO 0.00 -0.49 0.31 1.25 0.00 0.00 0.00 173.10 174.17 1a58 s LYS 142 N -2.38 0.38 0.03 2.90 2.36 -0.82 -0.75 119.74 121.45 1a58 s LYS 142 Ca 0.19 0.40 -0.30 0.00 -2.55 0.00 0.00 55.97 53.71 1a58 s LYS 142 Cb -0.04 0.18 -0.05 0.00 -1.05 0.00 0.00 37.83 36.88 1a58 s LYS 142 CO 0.14 -0.05 1.13 0.08 1.55 0.00 0.00 175.35 178.20 1a58 s VAL 143 N 0.09 4.31 -0.06 4.02 1.01 0.07 -0.73 120.40 129.11 1a58 s VAL 143 Ca -0.01 1.66 0.14 0.00 0.00 0.00 0.00 61.98 63.77 1a58 s VAL 143 Cb -0.02 -4.06 -0.21 0.00 0.00 0.00 0.00 36.38 32.08 1a58 s VAL 143 CO 0.01 0.11 0.24 1.33 0.00 0.00 0.00 175.10 176.79 1a58 n VAL 144 N 3.99 0.32 -3.64 2.92 0.24 0.45 -4.92 118.33 117.70 1a58 n VAL 144 Ca 0.08 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.34 61.82 1a58 n VAL 144 Cb 0.48 -0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.68 1a58 n VAL 144 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1a58 s SER 145 N -4.06 -0.36 0.00 -1.34 1.04 -1.19 -4.93 113.70 102.87 1a58 s SER 145 Ca -0.06 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1a58 s SER 145 Cb 0.08 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1a58 s SER 145 CO 0.61 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1a58 n GLY 146 N 0.63 0.48 0.29 7.32 0.00 -1.26 -1.62 105.19 111.03 1a58 n GLY 146 Ca -0.19 -0.92 0.18 0.00 0.00 0.00 0.00 46.02 45.09 1a58 n GLY 146 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1a58 h GLN 147 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -2.37 115.11 112.43 1a58 h GLN 147 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.53 1a58 h GLN 147 Cb 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.76 1a58 h GLN 147 CO 0.00 0.00 -0.56 1.05 -0.00 0.00 0.00 178.83 179.32 1a58 h GLU 148 N 0.00 0.00 0.00 0.06 9.09 -1.96 -2.62 114.58 119.15 1a58 h GLU 148 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.31 1a58 h GLU 148 Cb 0.43 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.51 1a58 h GLU 148 CO 0.00 0.56 -0.49 -0.24 0.05 0.00 0.00 179.01 178.89 1a58 h VAL 149 N 0.00 1.01 -0.22 -1.06 3.04 -1.75 -1.77 116.25 115.50 1a58 h VAL 149 Ca -0.01 -1.95 -0.05 0.00 -1.01 0.00 0.00 66.70 63.68 1a58 h VAL 149 Cb 1.22 2.17 -0.01 0.00 -2.01 0.00 0.00 31.29 32.67 1a58 h VAL 149 CO 0.07 0.48 -0.06 0.58 -1.01 0.00 0.00 177.57 177.63 1a58 h VAL 150 N 0.00 1.29 0.00 1.51 2.07 -1.40 -2.24 116.25 117.47 1a58 h VAL 150 Ca -0.00 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 1a58 h VAL 150 Cb 1.13 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1a58 h VAL 150 CO 0.06 0.33 -0.40 0.71 0.02 0.00 0.00 177.57 178.29 1a58 h THR 151 N 0.16 1.07 -0.25 2.57 1.35 -1.39 -0.87 112.91 115.56 1a58 h THR 151 Ca 0.06 -1.50 -0.02 0.00 -0.55 0.00 0.00 66.41 64.40 1a58 h THR 151 Cb 0.52 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 1a58 h THR 151 CO 0.02 0.39 0.10 0.50 -0.25 0.00 0.00 175.52 176.28 1a58 h LYS 152 N 0.00 0.38 -0.51 4.72 1.63 -1.19 -2.31 116.57 119.29 1a58 h LYS 152 Ca -0.00 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 59.65 1a58 h LYS 152 Cb 0.83 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.38 1a58 h LYS 152 CO 0.05 0.42 0.04 0.82 -3.45 0.00 0.00 179.45 177.34 1a58 h ILE 153 N 0.25 1.26 -0.47 2.00 2.04 -1.11 -3.15 117.51 118.32 1a58 h ILE 153 Ca 0.08 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 64.95 1a58 h ILE 153 Cb 0.19 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1a58 h ILE 153 CO -0.01 0.36 0.31 -0.08 0.00 0.00 0.00 178.15 178.74 1a58 h GLU 154 N 0.75 0.53 -0.63 2.37 4.81 -0.96 -2.75 114.58 118.69 1a58 h GLU 154 Ca 0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1a58 h GLU 154 Cb 0.46 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1a58 h GLU 154 CO 0.02 0.35 0.00 0.66 -0.73 0.00 0.00 179.01 179.31 1a58 n TYR 155 N -4.47 1.25 -2.48 0.92 4.02 -0.89 -4.05 117.16 111.46 1a58 n TYR 155 Ca 0.05 -0.49 -0.36 0.00 -0.01 0.00 0.00 57.90 57.09 1a58 n TYR 155 Cb 0.13 -0.24 -0.03 0.00 -0.02 0.00 0.00 39.34 39.18 1a58 n TYR 155 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1a58 s LEU 156 N -1.65 4.09 0.21 7.72 1.43 -1.04 -4.97 118.68 124.48 1a58 s LEU 156 Ca 0.41 2.09 -0.31 0.00 -1.03 0.00 0.00 54.13 55.28 1a58 s LEU 156 Cb 0.27 -4.22 -0.11 0.00 0.03 0.00 0.00 46.19 42.16 1a58 s LEU 156 CO 0.18 -0.60 1.62 -0.75 0.23 0.00 0.00 176.35 177.04 1a58 s LYS 157 N -2.59 4.17 0.36 1.70 2.20 -1.26 -4.88 119.74 119.43 1a58 s LYS 157 Ca 0.60 2.50 0.07 0.00 -0.36 0.00 0.00 55.97 58.77 1a58 s LYS 157 Cb -0.23 -3.09 -0.07 0.00 -1.51 0.00 0.00 37.83 32.93 1a58 s LYS 157 CO 0.29 -0.65 -0.02 0.95 -0.36 0.00 0.00 175.35 175.55 1a58 s THR 158 N 0.84 1.87 0.30 3.43 -4.23 -1.26 -1.06 115.64 115.52 1a58 s THR 158 Ca 0.70 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 1a58 s THR 158 Cb -0.47 -2.77 0.05 0.00 1.34 0.00 0.00 72.50 70.65 1a58 s THR 158 CO 0.36 -0.11 0.41 -0.46 -0.54 0.00 0.00 174.62 174.28 1a58 n ASN 159 N -0.81 0.78 0.31 3.99 0.23 -0.65 -4.87 115.26 114.25 1a58 n ASN 159 Ca -0.05 -1.60 0.20 0.00 -0.53 0.00 0.00 54.58 52.60 1a58 n ASN 159 Cb 0.65 -0.24 1.02 0.00 -2.08 0.00 0.00 39.78 39.13 1a58 n ASN 159 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1a58 h SER 160 N -0.11 0.00 -0.41 0.53 4.64 -2.02 -1.20 113.55 114.98 1a58 h SER 160 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1a58 h SER 160 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1a58 h SER 160 CO 0.17 0.01 0.00 1.17 -0.87 0.00 0.00 176.83 177.31 1a58 n LYS 161 N -3.18 1.95 -1.15 4.77 4.81 -1.26 -4.91 118.16 119.19 1a58 n LYS 161 Ca -0.02 -1.47 -0.05 0.00 -0.87 0.00 0.00 58.31 55.89 1a58 n LYS 161 Cb 0.15 -1.32 -0.02 0.00 0.02 0.00 0.00 35.03 33.86 1a58 n LYS 161 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1a58 n ASN 162 N 0.70 -4.66 -4.73 3.14 3.02 -0.45 -4.97 115.26 107.31 1a58 n ASN 162 Ca 0.14 0.13 -0.40 0.00 -0.03 0.00 0.00 54.58 54.42 1a58 n ASN 162 Cb 0.35 -2.62 -0.05 0.00 -0.61 0.00 0.00 39.78 36.85 1a58 n ASN 162 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1a58 s ARG 163 N -1.98 4.44 0.41 3.52 3.52 -1.26 -1.88 118.95 125.72 1a58 s ARG 163 Ca 0.00 0.91 -0.27 0.00 -0.13 0.00 0.00 55.73 56.25 1a58 s ARG 163 Cb 0.00 -3.42 -0.09 0.00 -1.56 0.00 0.00 34.95 29.87 1a58 s ARG 163 CO 0.00 0.12 1.41 -2.14 -0.81 0.00 0.00 175.30 173.88 1a58 s PRO 164 N 0.58 3.95 0.18 5.12 0.02 -1.26 -1.64 135.00 141.95 1a58 s PRO 164 Ca 0.38 2.40 -0.08 0.00 0.02 0.00 0.00 61.00 63.72 1a58 s PRO 164 Cb -0.18 -2.82 0.09 0.00 0.02 0.00 0.00 34.50 31.60 1a58 s PRO 164 CO 0.19 -0.60 1.59 -0.07 -0.33 0.00 0.00 177.00 177.78 1a58 h LEU 165 N 2.72 0.93-10.34 -5.54 4.07 -1.43 -3.45 115.31 102.28 1a58 h LEU 165 Ca -0.50 -0.34 -0.50 0.00 0.08 0.00 0.00 57.88 56.61 1a58 h LEU 165 Cb 1.25 -0.26 0.05 0.00 1.08 0.00 0.00 40.66 42.79 1a58 h LEU 165 CO 0.63 1.10 0.41 0.00 -1.08 0.00 0.00 178.44 179.49 1a58 s ALA 166 N -4.67 3.10 -0.48 1.53 0.00 -1.26 -5.01 121.76 114.96 1a58 s ALA 166 Ca -0.10 -0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.54 1a58 s ALA 166 Cb 0.13 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 20.20 1a58 s ALA 166 CO 0.86 -0.62 0.92 -0.51 0.00 0.00 0.00 175.76 176.41 1a58 s ASP 167 N -4.03 6.45 -0.50 0.00 1.01 -1.26 -4.88 116.67 113.47 1a58 s ASP 167 Ca 0.55 -0.01 -0.15 0.00 0.71 0.00 0.00 52.55 53.65 1a58 s ASP 167 Cb -0.11 -2.44 0.09 0.00 1.01 0.00 0.00 42.92 41.47 1a58 s ASP 167 CO 0.51 -1.09 0.43 -0.69 0.21 0.00 0.00 175.17 174.54 1a58 s VAL 168 N 3.79 5.20 -0.02 -1.27 1.01 -1.26 -0.36 120.40 127.47 1a58 s VAL 168 Ca 0.35 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1a58 s VAL 168 Cb -0.11 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1a58 s VAL 168 CO 0.24 -0.68 -0.16 -0.69 0.00 0.00 0.00 175.10 173.81 1a58 s VAL 169 N 1.62 2.94 -0.82 2.92 1.01 -0.21 -2.13 120.40 125.73 1a58 s VAL 169 Ca 0.04 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 1a58 s VAL 169 Cb -0.26 -2.17 0.07 0.00 0.00 0.00 0.00 36.38 34.02 1a58 s VAL 169 CO 0.05 0.52 1.20 -0.63 0.00 0.00 0.00 175.10 176.24 1a58 s ILE 170 N -0.78 4.16 0.06 2.22 1.01 -0.39 -0.81 121.20 126.67 1a58 s ILE 170 Ca 0.12 -0.52 -0.33 0.00 0.00 0.00 0.00 60.65 59.92 1a58 s ILE 170 Cb -0.11 -4.86 -0.19 0.00 0.01 0.00 0.00 42.46 37.32 1a58 s ILE 170 CO 0.02 -1.69 1.52 0.25 0.00 0.00 0.00 174.94 175.04 1a58 h LEU 171 N 11.93 -0.88 -8.72 2.97 6.46 -0.85 -0.60 115.31 125.63 1a58 h LEU 171 Ca -0.08 0.02 -0.41 0.00 -0.12 0.00 0.00 57.88 57.30 1a58 h LEU 171 Cb 1.04 0.23 -0.16 0.00 -0.73 0.00 0.00 40.66 41.04 1a58 h LEU 171 CO 1.25 -0.60 -0.74 0.20 -0.62 0.00 0.00 178.44 177.93 1a58 s ASN 172 N -4.31 2.16 0.01 1.25 0.01 -1.14 -4.56 114.94 108.37 1a58 s ASN 172 Ca -0.18 -0.93 -0.28 0.00 -0.71 0.00 0.00 52.86 50.75 1a58 s ASN 172 Cb 0.03 -0.08 0.08 0.00 0.41 0.00 0.00 41.25 41.68 1a58 s ASN 172 CO 0.58 -0.20 0.70 0.00 -1.51 0.00 0.00 177.10 176.67 1a58 n GLY 174 N 0.43 -0.80 3.87 0.00 0.00 -1.04 -4.67 105.19 102.97 1a58 n GLY 174 Ca -0.17 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 1a58 n GLY 174 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a58 s GLU 175 N -1.24 3.19 0.30 1.61 2.12 -1.26 -0.84 118.70 122.58 1a58 s GLU 175 Ca 0.00 -0.66 0.10 0.00 0.36 0.00 0.00 54.97 54.77 1a58 s GLU 175 Cb 0.00 -2.84 -0.05 0.00 0.26 0.00 0.00 34.13 31.49 1a58 s GLU 175 CO 0.00 0.53 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.99 1a58 s LEU 176 N -2.92 2.85 0.00 2.70 2.96 0.23 -4.84 118.68 119.66 1a58 s LEU 176 Ca 0.33 -0.94 0.26 0.00 -0.22 0.00 0.00 54.13 53.56 1a58 s LEU 176 Cb -0.11 -1.31 1.55 0.00 0.50 0.00 0.00 46.19 46.82 1a58 s LEU 176 CO 0.26 -0.05 1.90 1.33 -1.32 0.00 0.00 176.35 178.47