#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8u n ASN 4 N 0.00 0.45 -3.56 0.00 4.13 -1.26 -5.30 115.26 109.72 3h8u n ASN 4 Ca 0.00 -1.64 -0.06 0.00 1.68 0.00 0.00 54.58 54.56 3h8u n ASN 4 Cb 0.00 -0.85 -0.02 0.00 -1.54 0.00 0.00 39.78 37.37 3h8u n ASN 4 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3h8u s ARG 6 N -5.50 0.51 0.97 3.52 0.52 -1.26 -5.21 118.95 112.49 3h8u s ARG 6 Ca 0.68 -0.18 -0.14 0.00 -0.52 0.00 0.00 55.73 55.58 3h8u s ARG 6 Cb -0.02 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.69 3h8u s ARG 6 CO 0.47 -0.22 0.17 0.00 0.02 0.00 0.00 175.30 175.74 3h8u n ALA 7 N -0.12 -3.20 -0.05 2.13 0.00 -1.26 -4.53 120.51 113.48 3h8u n ALA 7 Ca -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 53.44 52.75 3h8u n ALA 7 Cb 0.60 -1.67 0.34 0.00 0.00 0.00 0.00 19.45 18.72 3h8u n ALA 7 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3h8u h GLU 8 N -1.50 0.63 -0.18 0.00 4.81 -2.09 -0.20 114.58 116.06 3h8u h GLU 8 Ca -0.44 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 58.77 3h8u h GLU 8 Cb 1.29 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 3h8u h GLU 8 CO 0.33 0.50 -0.20 1.79 -0.73 0.00 0.00 179.01 180.70 3h8u h THR 9 N 0.64 0.49 -0.50 0.32 1.35 -2.07 -2.78 112.91 110.36 3h8u h THR 9 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 3h8u h THR 9 Cb 0.07 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 3h8u h THR 9 CO -0.02 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.63 3h8u n GLU 10 N -5.34 2.24 -2.81 4.72 -0.58 -0.91 -4.73 120.64 113.23 3h8u n GLU 10 Ca -0.02 -1.91 -0.43 0.00 -0.42 0.00 0.00 57.16 54.38 3h8u n GLU 10 Cb 0.26 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 3h8u n GLU 10 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3h8u s SER 11 N -1.09 6.41 0.00 1.62 0.15 -0.13 -4.81 113.70 115.84 3h8u s SER 11 Ca 0.36 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.57 3h8u s SER 11 Cb 0.19 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 3h8u s SER 11 CO 0.25 -1.34 0.41 0.54 1.20 0.00 0.00 173.24 174.31 3h8u n ARG 12 N 7.58 -0.32 -5.22 5.44 1.74 -1.26 -4.97 116.66 119.65 3h8u n ARG 12 Ca 0.14 -0.46 -0.32 0.00 -0.77 0.00 0.00 57.85 56.44 3h8u n ARG 12 Cb 0.48 -0.85 -0.17 0.00 -1.02 0.00 0.00 32.46 30.91 3h8u n ARG 12 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3h8u s ILE 13 N -0.09 2.03 -0.08 0.55 1.01 -1.26 -5.11 121.20 118.25 3h8u s ILE 13 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3h8u s ILE 13 Cb 0.00 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.75 3h8u s ILE 13 CO 0.00 0.56 -0.07 -0.36 0.00 0.00 0.00 174.94 175.07 3h8u s PHE 14 N 0.18 1.14 -0.33 3.97 0.40 -1.26 -5.11 117.98 116.96 3h8u s PHE 14 Ca -0.14 -0.45 -0.28 0.00 -0.60 0.00 0.00 56.93 55.46 3h8u s PHE 14 Cb -0.16 -0.97 0.02 0.00 0.51 0.00 0.00 43.02 42.41 3h8u s PHE 14 CO 0.07 -0.34 1.04 0.45 0.70 0.00 0.00 175.22 177.15 3h8u s SER 15 N 1.29 6.88 0.25 1.36 0.15 -1.26 -4.94 113.70 117.42 3h8u s SER 15 Ca -0.04 0.97 -0.05 0.00 0.70 0.00 0.00 55.95 57.52 3h8u s SER 15 Cb -0.14 -2.53 0.47 0.00 -1.71 0.00 0.00 66.02 62.12 3h8u s SER 15 CO -0.03 -0.87 1.67 0.58 1.20 0.00 0.00 173.24 175.80 3h8u h VAL 16 N 5.75 0.47 -0.49 4.45 2.07 -1.99 -0.95 116.25 125.54 3h8u h VAL 16 Ca -0.21 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.37 3h8u h VAL 16 Cb 1.06 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3h8u h VAL 16 CO 1.02 0.04 0.35 -2.24 0.02 0.00 0.00 177.57 176.77 3h8u h ASP 17 N 0.23 0.01 1.34 0.57 2.03 -1.96 -0.10 116.42 118.53 3h8u h ASP 17 Ca 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.72 3h8u h ASP 17 Cb 0.74 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 3h8u h ASP 17 CO -0.55 0.00 0.00 -0.33 -1.03 0.00 0.00 179.24 177.34 3h8u h GLU 18 N 0.01 0.00 -0.00 4.15 5.08 -1.58 -3.25 114.58 118.99 3h8u h GLU 18 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3h8u h GLU 18 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3h8u h GLU 18 CO -0.00 0.00 -0.58 0.66 -1.00 0.00 0.00 179.01 178.09 3h8u n TYR 19 N -2.77 0.00 -1.79 4.33 4.02 -0.15 -4.97 117.16 115.83 3h8u n TYR 19 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 3h8u n TYR 19 Cb 0.38 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.67 3h8u n TYR 19 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h8u s VAL 20 N -2.17 2.54 -0.56 -0.72 1.01 -0.59 -4.77 120.40 115.14 3h8u s VAL 20 Ca 0.05 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.26 3h8u s VAL 20 Cb 0.10 -3.12 0.16 0.00 0.00 0.00 0.00 36.38 33.52 3h8u s VAL 20 CO 0.51 0.00 0.40 -0.13 0.00 0.00 0.00 175.10 175.89 3h8u s ARG 21 N 2.19 1.75 0.42 2.72 1.81 -1.26 -5.05 118.95 121.54 3h8u s ARG 21 Ca 0.77 -2.72 -0.26 0.00 -1.72 0.00 0.00 55.73 51.80 3h8u s ARG 21 Cb -0.45 -2.58 -0.09 0.00 -0.45 0.00 0.00 34.95 31.38 3h8u s ARG 21 CO 0.34 -1.30 1.38 -2.14 -0.68 0.00 0.00 175.30 172.90 3h8u s PRO 22 N -0.66 3.85 -0.05 3.54 0.02 -1.26 -4.37 135.00 136.07 3h8u s PRO 22 Ca 0.26 2.32 -0.07 0.00 0.02 0.00 0.00 61.00 63.53 3h8u s PRO 22 Cb -0.05 -2.73 0.02 0.00 0.02 0.00 0.00 34.50 31.75 3h8u s PRO 22 CO -0.15 -0.65 0.19 0.45 -0.33 0.00 0.00 177.00 176.51 3h8u s SER 23 N -0.57 -0.15 0.00 2.53 0.15 -1.26 -5.00 113.70 109.40 3h8u s SER 23 Ca 0.58 0.24 0.30 0.00 0.70 0.00 0.00 55.95 57.77 3h8u s SER 23 Cb -0.42 0.35 1.39 0.00 -1.71 0.00 0.00 66.02 65.64 3h8u s SER 23 CO 0.54 -0.16 1.96 0.59 1.20 0.00 0.00 173.24 177.37 3h8u n ASN 24 N 2.54 0.32 0.00 5.45 3.02 -1.26 -4.78 115.26 120.56 3h8u n ASN 24 Ca -0.15 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3h8u n ASN 24 Cb 0.58 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 3h8u n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h8u n GLY 25 N 1.24 4.59 3.60 7.41 0.00 -1.26 -5.06 105.19 115.72 3h8u n GLY 25 Ca 0.16 -1.99 -0.47 0.00 0.00 0.00 0.00 46.02 43.71 3h8u n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h8u n GLU 26 N 0.00 1.42 -1.57 1.61 -0.58 -1.26 -4.86 120.64 115.39 3h8u n GLU 26 Ca 0.00 0.50 -0.41 0.00 -0.42 0.00 0.00 57.16 56.83 3h8u n GLU 26 Cb 0.00 -2.03 0.01 0.00 -0.57 0.00 0.00 31.44 28.85 3h8u n GLU 26 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3h8u n PRO 27 N 1.70 1.12 -3.21 3.49 -0.02 -1.26 -4.86 135.00 131.96 3h8u n PRO 27 Ca 0.13 0.41 -0.39 0.00 -2.02 0.00 0.00 63.50 61.63 3h8u n PRO 27 Cb 0.27 -1.91 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 3h8u n PRO 27 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h8u s ILE 28 N -1.33 5.10 -0.91 4.25 1.01 -1.26 -5.02 121.20 123.05 3h8u s ILE 28 Ca 0.64 1.15 -0.25 0.00 0.00 0.00 0.00 60.65 62.20 3h8u s ILE 28 Cb -0.56 -3.90 0.04 0.00 0.01 0.00 0.00 42.46 38.04 3h8u s ILE 28 CO 0.56 0.32 1.42 -0.60 0.00 0.00 0.00 174.94 176.64 3h8u s ARG 29 N 0.54 3.38 -0.58 2.79 3.52 -1.26 -4.63 118.95 122.71 3h8u s ARG 29 Ca 0.30 -0.73 -0.20 0.00 -0.13 0.00 0.00 55.73 54.97 3h8u s ARG 29 Cb -0.16 -4.90 0.08 0.00 -1.56 0.00 0.00 34.95 28.40 3h8u s ARG 29 CO 0.14 -2.25 0.78 0.45 -0.81 0.00 0.00 175.30 173.60 3h8u s SER 30 N 4.74 6.21 -0.01 -2.12 0.15 -1.18 -4.99 113.70 116.50 3h8u s SER 30 Ca 0.44 -1.05 -0.30 0.00 0.70 0.00 0.00 55.95 55.73 3h8u s SER 30 Cb -0.03 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.90 3h8u s SER 30 CO 0.00 -1.15 1.09 -0.69 1.20 0.00 0.00 173.24 173.69 3h8u s VAL 31 N 3.16 4.51 -0.20 4.45 1.01 -1.26 -1.20 120.40 130.87 3h8u s VAL 31 Ca 0.17 1.80 -0.20 0.00 0.00 0.00 0.00 61.98 63.76 3h8u s VAL 31 Cb -0.20 -4.16 -0.17 0.00 0.00 0.00 0.00 36.38 31.86 3h8u s VAL 31 CO 0.10 0.09 0.16 0.58 0.00 0.00 0.00 175.10 176.03 3h8u h VAL 32 N 4.82 0.78 -2.06 2.92 2.07 -0.99 -3.48 116.25 120.31 3h8u h VAL 32 Ca -0.38 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.14 3h8u h VAL 32 Cb 1.19 1.87 -0.21 0.00 -1.52 0.00 0.00 31.29 32.62 3h8u h VAL 32 CO 0.81 0.26 0.04 -0.22 0.02 0.00 0.00 177.57 178.49 3h8u s LEU 33 N -7.94 -0.77 -0.17 2.57 2.96 -1.06 -5.01 118.68 109.26 3h8u s LEU 33 Ca -0.26 1.43 -0.01 0.00 -0.22 0.00 0.00 54.13 55.07 3h8u s LEU 33 Cb 0.05 2.33 -0.00 0.00 0.50 0.00 0.00 46.19 49.07 3h8u s LEU 33 CO 0.53 -0.24 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.58 3h8u s GLU 34 N 1.05 3.26 0.26 1.98 2.02 -1.26 -0.89 118.70 125.12 3h8u s GLU 34 Ca -0.05 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.25 3h8u s GLU 34 Cb -0.05 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 3h8u s GLU 34 CO -0.10 -0.03 0.19 0.95 0.02 0.00 0.00 175.26 176.29 3h8u s THR 35 N 0.95 0.04 0.43 3.63 -4.23 -0.14 -5.01 115.64 111.30 3h8u s THR 35 Ca -0.02 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.60 3h8u s THR 35 Cb -0.15 -2.50 0.22 0.00 1.34 0.00 0.00 72.50 71.40 3h8u s THR 35 CO -0.01 0.00 2.02 0.78 -0.54 0.00 0.00 174.62 176.86 3h8u h ASN 36 N 2.39 0.21 0.78 3.99 2.35 -1.99 -3.19 115.58 120.12 3h8u h ASN 36 Ca -0.31 -0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.18 3h8u h ASN 36 Cb 1.24 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.52 3h8u h ASN 36 CO 0.46 0.26 -1.32 0.44 -1.65 0.00 0.00 177.43 175.62 3h8u h ASP 37 N 0.23 0.00 -4.85 5.81 3.32 -1.94 0.65 116.42 119.63 3h8u h ASP 37 Ca 0.06 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3h8u h ASP 37 Cb 0.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.57 3h8u h ASP 37 CO 0.00 0.89 0.31 -0.44 -1.72 0.00 0.00 179.24 178.27 3h8u s SER 38 N -6.27 -0.51 -0.11 6.45 0.01 -1.20 -3.58 113.70 108.48 3h8u s SER 38 Ca -0.02 0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.40 3h8u s SER 38 Cb 0.09 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.83 3h8u s SER 38 CO 0.81 -0.79 -0.24 0.54 0.41 0.00 0.00 173.24 173.98 3h8u s VAL 39 N -3.07 2.05 -0.18 3.43 0.11 -0.40 -0.97 120.40 121.37 3h8u s VAL 39 Ca 0.00 -1.01 -0.02 0.00 -2.93 0.00 0.00 61.98 58.03 3h8u s VAL 39 Cb -0.01 -1.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.06 3h8u s VAL 39 CO -0.08 0.56 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.46 3h8u s VAL 40 N 0.42 3.12 -0.00 2.04 1.01 -0.07 -1.43 120.40 125.49 3h8u s VAL 40 Ca -0.17 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3h8u s VAL 40 Cb -0.18 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3h8u s VAL 40 CO 0.07 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.84 3h8u s VAL 41 N 1.02 0.89 -0.26 2.92 1.01 -0.15 -0.26 120.40 125.56 3h8u s VAL 41 Ca -0.01 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 3h8u s VAL 41 Cb -0.15 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3h8u s VAL 41 CO -0.01 0.20 0.13 -0.69 0.00 0.00 0.00 175.10 174.73 3h8u s VAL 42 N -0.37 4.86 -0.01 2.92 1.01 -0.34 -0.71 120.40 127.76 3h8u s VAL 42 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3h8u s VAL 42 Cb -0.05 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3h8u s VAL 42 CO -0.00 0.30 0.01 0.26 0.00 0.00 0.00 175.10 175.66 3h8u s TRP 43 N 1.65 3.10 -0.04 5.22 0.52 -0.39 -3.08 118.94 125.93 3h8u s TRP 43 Ca 0.07 0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.30 3h8u s TRP 43 Cb -0.15 -1.69 0.02 0.00 -1.15 0.00 0.00 33.47 30.49 3h8u s TRP 43 CO 0.07 0.47 -0.03 -1.58 0.02 0.00 0.00 176.95 175.90 3h8u s HIS 44 N -1.06 0.59 -0.05 -1.98 2.46 -1.26 -1.90 115.29 112.09 3h8u s HIS 44 Ca 0.19 -0.13 0.02 0.00 0.47 0.00 0.00 55.06 55.61 3h8u s HIS 44 Cb -0.12 -0.56 0.01 0.00 -0.13 0.00 0.00 32.58 31.79 3h8u s HIS 44 CO 0.09 -0.16 -0.10 0.00 -2.47 0.00 0.00 174.74 172.10 3h8u s ALA 45 N 0.88 1.06 0.71 1.58 0.00 -0.10 -4.62 121.76 121.26 3h8u s ALA 45 Ca -0.11 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 3h8u s ALA 45 Cb -0.14 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.54 3h8u s ALA 45 CO -0.00 0.11 1.08 -1.01 0.00 0.00 0.00 175.76 175.94 3h8u s HIS 46 N 0.54 2.82 0.01 0.00 3.76 -1.26 -1.12 115.29 120.03 3h8u s HIS 46 Ca -0.10 1.50 -0.38 0.00 -0.15 0.00 0.00 55.06 55.93 3h8u s HIS 46 Cb -0.13 -3.00 -0.17 0.00 1.11 0.00 0.00 32.58 30.38 3h8u s HIS 46 CO 0.02 -1.51 1.34 -2.30 -0.85 0.00 0.00 174.74 171.45 3h8u n PRO 47 N -3.07 0.88 0.00 8.40 -0.02 -1.26 -0.79 135.00 139.13 3h8u n PRO 47 Ca 0.09 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3h8u n PRO 47 Cb 0.53 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 3h8u n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h8u n GLY 48 N 2.56 2.41 3.82 -1.23 0.00 0.11 -4.99 105.19 107.88 3h8u n GLY 48 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3h8u n GLY 48 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h8u s GLN 49 N -0.43 4.20 0.03 1.61 0.74 0.03 -4.78 119.66 121.06 3h8u s GLN 49 Ca 0.00 0.84 0.06 0.00 0.05 0.00 0.00 55.36 56.31 3h8u s GLN 49 Cb 0.00 -2.73 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 3h8u s GLN 49 CO 0.00 0.31 -0.16 -1.21 -0.55 0.00 0.00 175.29 173.68 3h8u s GLU 50 N -2.29 2.15 -0.36 1.67 2.02 -1.26 -1.78 118.70 118.85 3h8u s GLU 50 Ca 0.47 -0.93 -0.21 0.00 0.02 0.00 0.00 54.97 54.32 3h8u s GLU 50 Cb -0.15 -2.24 0.01 0.00 0.10 0.00 0.00 34.13 31.85 3h8u s GLU 50 CO 0.20 0.55 0.66 0.42 0.02 0.00 0.00 175.26 177.11 3h8u s ILE 51 N -0.92 4.86 0.40 -1.63 -1.09 0.43 -4.51 121.20 118.73 3h8u s ILE 51 Ca 0.15 0.59 -0.27 0.00 -2.23 0.00 0.00 60.65 58.89 3h8u s ILE 51 Cb -0.11 -4.11 -0.10 0.00 -1.58 0.00 0.00 42.46 36.56 3h8u s ILE 51 CO 0.05 -0.36 1.40 0.00 -1.23 0.00 0.00 174.94 174.80 3h8u n ALA 52 N 6.13 1.88 -1.95 9.38 0.00 -1.26 -1.56 120.51 133.13 3h8u n ALA 52 Ca -0.01 0.31 -0.41 0.00 0.00 0.00 0.00 53.44 53.33 3h8u n ALA 52 Cb 0.48 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 3h8u n ALA 52 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h8u s SER 53 N -0.32 6.91 0.21 0.00 0.01 -1.26 -4.56 113.70 114.69 3h8u s SER 53 Ca 0.57 2.43 -0.19 0.00 1.31 0.00 0.00 55.95 60.07 3h8u s SER 53 Cb -0.49 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.15 3h8u s SER 53 CO 0.61 -0.49 0.59 -1.38 0.41 0.00 0.00 173.24 172.98 3h8u s HIS 54 N -0.20 -0.19 -0.01 2.43 -3.43 -0.46 -1.80 115.29 111.63 3h8u s HIS 54 Ca 0.54 -0.16 0.04 0.00 -0.80 0.00 0.00 55.06 54.68 3h8u s HIS 54 Cb -0.36 0.50 -0.01 0.00 -1.43 0.00 0.00 32.58 31.27 3h8u s HIS 54 CO 0.41 -0.99 -0.13 0.14 -2.00 0.00 0.00 174.74 172.17 3h8u s VAL 55 N -3.87 1.01 -0.37 -5.38 -7.23 0.20 -1.14 120.40 103.62 3h8u s VAL 55 Ca 0.09 -0.54 -0.11 0.00 -1.81 0.00 0.00 61.98 59.60 3h8u s VAL 55 Cb -0.02 -0.85 0.02 0.00 0.56 0.00 0.00 36.38 36.09 3h8u s VAL 55 CO -0.01 0.29 0.22 -1.00 -0.31 0.00 0.00 175.10 174.28 3h8u s HIS 56 N -0.28 3.24 0.53 2.82 3.76 -1.26 -0.74 115.29 123.36 3h8u s HIS 56 Ca 0.05 -0.85 0.21 0.00 -0.15 0.00 0.00 55.06 54.32 3h8u s HIS 56 Cb -0.05 -2.46 1.37 0.00 1.11 0.00 0.00 32.58 32.56 3h8u s HIS 56 CO -0.00 -0.61 2.11 -1.35 -0.85 0.00 0.00 174.74 174.03 3h8u h PRO 57 N 8.46 0.00 -0.18 8.40 0.11 -1.94 -1.97 132.00 144.88 3h8u h PRO 57 Ca -0.27 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.64 3h8u h PRO 57 Cb 1.11 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.87 3h8u h PRO 57 CO 0.67 0.00 -0.98 0.72 -0.21 0.00 0.00 178.00 178.20 3h8u n HIS 58 N -4.39 0.55 -3.75 0.65 8.25 -1.26 -4.21 115.22 111.06 3h8u n HIS 58 Ca 0.01 -1.21 -0.11 0.00 -0.26 0.00 0.00 57.72 56.15 3h8u n HIS 58 Cb 0.26 -0.20 -0.07 0.00 1.12 0.00 0.00 29.99 31.11 3h8u n HIS 58 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3h8u s GLY 59 N -2.78 -0.12 -0.13 -1.41 0.00 -1.22 -4.40 107.32 97.26 3h8u s GLY 59 Ca 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.93 3h8u s GLY 59 CO -0.11 -0.29 0.08 1.62 0.00 0.00 0.00 173.10 174.40 3h8u s GLN 60 N -2.85 3.46 -0.26 2.90 0.74 0.34 -2.55 119.66 121.44 3h8u s GLN 60 Ca -0.03 -0.27 -0.00 0.00 0.05 0.00 0.00 55.36 55.11 3h8u s GLN 60 Cb 0.00 -3.08 0.04 0.00 1.10 0.00 0.00 33.01 31.07 3h8u s GLN 60 CO -0.05 0.61 -0.07 0.34 -0.55 0.00 0.00 175.29 175.57 3h8u s ASP 61 N -0.58 4.43 -0.26 6.67 2.15 0.06 -0.80 116.67 128.35 3h8u s ASP 61 Ca 0.11 -1.14 -0.07 0.00 0.43 0.00 0.00 52.55 51.88 3h8u s ASP 61 Cb -0.12 -1.63 -0.02 0.00 -0.30 0.00 0.00 42.92 40.85 3h8u s ASP 61 CO 0.02 -0.18 0.07 -0.89 -0.17 0.00 0.00 175.17 174.02 3h8u s THR 62 N 1.23 4.21 -0.14 1.71 2.01 -0.49 -0.86 115.64 123.31 3h8u s THR 62 Ca -0.04 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 61.64 3h8u s THR 62 Cb -0.18 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 3h8u s THR 62 CO -0.04 0.30 0.05 0.26 -0.69 0.00 0.00 174.62 174.50 3h8u s TRP 63 N 1.59 3.27 -0.20 4.92 0.51 0.11 -0.62 118.94 128.52 3h8u s TRP 63 Ca 0.06 0.17 -0.01 0.00 -2.12 0.00 0.00 56.10 54.20 3h8u s TRP 63 Cb -0.15 -1.95 0.01 0.00 -0.81 0.00 0.00 33.47 30.57 3h8u s TRP 63 CO 0.03 0.35 -0.13 0.99 -0.51 0.00 0.00 176.95 177.67 3h8u s THR 64 N -0.28 2.56 -0.24 2.01 2.01 0.44 -0.96 115.64 121.19 3h8u s THR 64 Ca 0.08 -0.83 -0.24 0.00 0.31 0.00 0.00 61.69 61.01 3h8u s THR 64 Cb -0.12 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 3h8u s THR 64 CO 0.02 0.45 0.82 -0.69 -0.69 0.00 0.00 174.62 174.53 3h8u s VAL 65 N 1.35 4.84 -0.08 3.82 1.01 -0.35 -1.23 120.40 129.76 3h8u s VAL 65 Ca 0.04 1.55 -0.16 0.00 0.00 0.00 0.00 61.98 63.41 3h8u s VAL 65 Cb -0.14 -4.11 -0.29 0.00 0.00 0.00 0.00 36.38 31.85 3h8u s VAL 65 CO -0.09 -0.07 0.65 0.40 0.00 0.00 0.00 175.10 175.99 3h8u h ILE 66 N 5.42 1.11 -3.16 2.22 1.08 -0.70 -1.06 117.51 122.43 3h8u h ILE 66 Ca -0.23 -2.45 -0.16 0.00 -0.39 0.00 0.00 64.86 61.63 3h8u h ILE 66 Cb 1.09 2.82 -0.25 0.00 -3.07 0.00 0.00 36.82 37.42 3h8u h ILE 66 CO 0.87 0.73 -0.42 -0.55 -0.69 0.00 0.00 178.15 178.08 3h8u s SER 67 N -7.07 -0.23 0.00 1.72 0.15 -0.89 -4.72 113.70 102.66 3h8u s SER 67 Ca -0.18 0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.88 3h8u s SER 67 Cb 0.04 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 3h8u s SER 67 CO 0.79 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.71 3h8u n GLY 68 N 2.69 -1.99 3.09 9.45 0.00 -1.20 -1.32 105.19 115.91 3h8u n GLY 68 Ca -0.14 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 3h8u n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h8u s GLU 69 N -0.03 0.63 0.09 1.61 2.02 -1.26 -1.11 118.70 120.65 3h8u s GLU 69 Ca 0.00 -0.76 -0.11 0.00 0.02 0.00 0.00 54.97 54.11 3h8u s GLU 69 Cb 0.00 -0.50 0.01 0.00 0.10 0.00 0.00 34.13 33.74 3h8u s GLU 69 CO 0.00 0.11 0.26 0.00 0.02 0.00 0.00 175.26 175.64 3h8u s ALA 70 N -1.21 -0.48 -0.32 5.21 0.00 -0.35 -2.96 121.76 121.65 3h8u s ALA 70 Ca -0.06 -0.35 -0.22 0.00 0.00 0.00 0.00 51.96 51.33 3h8u s ALA 70 Cb -0.09 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.52 3h8u s ALA 70 CO 0.01 -0.51 0.73 -1.21 0.00 0.00 0.00 175.76 174.78 3h8u s GLU 71 N -3.52 3.87 -0.37 0.00 2.02 -1.26 -0.24 118.70 119.20 3h8u s GLU 71 Ca 0.02 0.40 -0.19 0.00 0.02 0.00 0.00 54.97 55.22 3h8u s GLU 71 Cb 0.03 -3.75 0.00 0.00 0.10 0.00 0.00 34.13 30.51 3h8u s GLU 71 CO -0.09 -0.70 0.56 -0.47 0.02 0.00 0.00 175.26 174.58 3h8u s TYR 72 N 2.89 3.16 -0.07 1.61 5.04 0.19 -4.32 117.35 125.84 3h8u s TYR 72 Ca 0.30 0.18 -0.27 0.00 -2.44 0.00 0.00 57.07 54.83 3h8u s TYR 72 Cb -0.14 -3.04 -0.02 0.00 0.35 0.00 0.00 41.96 39.10 3h8u s TYR 72 CO 0.14 -0.61 0.89 -1.58 -1.34 0.00 0.00 175.55 173.04 3h8u s HIS 73 N 2.53 3.56 -1.15 4.97 5.65 0.18 -1.18 115.29 129.85 3h8u s HIS 73 Ca 0.21 1.48 0.15 0.00 0.25 0.00 0.00 55.06 57.14 3h8u s HIS 73 Cb -0.15 -3.04 0.46 0.00 -1.18 0.00 0.00 32.58 28.67 3h8u s HIS 73 CO 0.14 -0.08 1.38 1.04 -0.65 0.00 0.00 174.74 176.58 3h8u n GLN 74 N 4.38 2.94 0.00 2.88 6.02 0.40 -2.16 117.38 131.85 3h8u n GLN 74 Ca 0.05 -2.37 0.00 0.00 -0.01 0.00 0.00 57.00 54.67 3h8u n GLN 74 Cb 0.50 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.30 3h8u n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h8u n GLY 75 N 0.78 1.35 2.44 1.08 0.00 -1.25 -4.34 105.19 105.25 3h8u n GLY 75 Ca 0.17 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 3h8u n GLY 75 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h8u n ASN 76 N -0.25 -4.81 0.00 1.61 3.02 0.21 -1.70 115.26 113.34 3h8u n ASN 76 Ca 0.00 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 3h8u n ASN 76 Cb 0.00 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 3h8u n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h8u n GLY 77 N -1.12 0.65 3.68 7.41 0.00 -1.26 -5.01 105.19 109.53 3h8u n GLY 77 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3h8u n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8u s ILE 78 N -2.30 4.87 -0.04 -0.61 1.01 -0.69 -4.99 121.20 118.45 3h8u s ILE 78 Ca 0.00 1.70 0.02 0.00 0.00 0.00 0.00 60.65 62.37 3h8u s ILE 78 Cb 0.00 -4.17 0.01 0.00 0.01 0.00 0.00 42.46 38.32 3h8u s ILE 78 CO 0.00 0.04 -0.09 -0.69 0.00 0.00 0.00 174.94 174.20 3h8u s VAL 79 N 2.02 0.84 0.33 2.92 1.01 -1.26 -0.45 120.40 125.81 3h8u s VAL 79 Ca 0.40 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3h8u s VAL 79 Cb -0.17 -0.78 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 3h8u s VAL 79 CO 0.14 0.28 -0.05 0.42 0.00 0.00 0.00 175.10 175.89 3h8u s THR 80 N 0.55 1.86 -0.19 3.92 -4.23 -0.33 -4.93 115.64 112.29 3h8u s THR 80 Ca -0.10 -2.12 -0.07 0.00 -1.18 0.00 0.00 61.69 58.22 3h8u s THR 80 Cb -0.13 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 3h8u s THR 80 CO 0.02 -0.19 0.05 -2.28 -0.54 0.00 0.00 174.62 171.68 3h8u s HIS 81 N -2.85 3.18 -0.10 3.99 2.46 -1.26 0.57 115.29 121.28 3h8u s HIS 81 Ca 0.32 -0.08 -0.02 0.00 0.47 0.00 0.00 55.06 55.76 3h8u s HIS 81 Cb 0.05 -2.10 -0.03 0.00 -0.13 0.00 0.00 32.58 30.37 3h8u s HIS 81 CO 0.15 0.02 -0.02 -0.51 -2.47 0.00 0.00 174.74 171.91 3h8u s LEU 82 N 0.65 3.44 0.23 8.88 1.43 0.67 -4.93 118.68 129.05 3h8u s LEU 82 Ca 0.03 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3h8u s LEU 82 Cb -0.13 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 3h8u s LEU 82 CO 0.02 0.33 0.05 -1.59 0.23 0.00 0.00 176.35 175.39 3h8u s LYS 83 N -0.61 1.32 0.19 1.70 -2.85 -1.26 -1.21 119.74 117.01 3h8u s LYS 83 Ca 0.10 -1.69 -0.32 0.00 -1.00 0.00 0.00 55.97 53.06 3h8u s LYS 83 Cb -0.12 -0.37 -0.15 0.00 -2.06 0.00 0.00 37.83 35.13 3h8u s LYS 83 CO 0.02 -0.20 1.21 0.00 0.10 0.00 0.00 175.35 176.48 3h8u n ALA 84 N -0.40 -0.37 -0.58 0.59 0.00 -0.27 -1.05 120.51 118.43 3h8u n ALA 84 Ca -0.03 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3h8u n ALA 84 Cb 0.65 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3h8u n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h8u n GLY 85 N 2.02 0.77 3.92 0.00 0.00 -0.40 -5.02 105.19 106.48 3h8u n GLY 85 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3h8u n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h8u s ASP 86 N -2.79 6.39 -0.10 1.61 1.01 -0.22 -4.92 116.67 117.66 3h8u s ASP 86 Ca 0.00 0.61 0.01 0.00 0.71 0.00 0.00 52.55 53.88 3h8u s ASP 86 Cb 0.00 -2.10 -0.02 0.00 1.01 0.00 0.00 42.92 41.81 3h8u s ASP 86 CO 0.00 -0.21 -0.12 -0.63 0.21 0.00 0.00 175.17 174.41 3h8u s ILE 87 N -2.13 3.16 -0.09 0.77 1.01 -1.26 -1.21 121.20 121.45 3h8u s ILE 87 Ca 0.42 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.46 3h8u s ILE 87 Cb -0.10 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 3h8u s ILE 87 CO 0.32 0.55 -0.22 0.00 0.00 0.00 0.00 174.94 175.59 3h8u s ALA 88 N -0.13 2.29 -0.10 9.38 0.00 -0.13 -4.96 121.76 128.11 3h8u s ALA 88 Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3h8u s ALA 88 Cb -0.14 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.15 3h8u s ALA 88 CO 0.03 0.35 -0.18 0.42 0.00 0.00 0.00 175.76 176.38 3h8u s ILE 89 N 0.07 1.65 -0.25 0.00 1.01 -1.26 0.09 121.20 122.52 3h8u s ILE 89 Ca -0.09 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 3h8u s ILE 89 Cb -0.15 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 3h8u s ILE 89 CO 0.06 0.47 0.04 0.00 0.00 0.00 0.00 174.94 175.51 3h8u s ALA 90 N 0.68 3.04 0.80 9.38 0.00 -0.04 -5.00 121.76 130.63 3h8u s ALA 90 Ca -0.12 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.50 3h8u s ALA 90 Cb -0.16 -1.99 0.07 0.00 0.00 0.00 0.00 23.12 21.04 3h8u s ALA 90 CO 0.03 -0.57 1.12 0.15 0.00 0.00 0.00 175.76 176.48 3h8u s LYS 91 N 1.55 2.03 0.21 0.00 1.02 -1.26 -0.76 119.74 122.53 3h8u s LYS 91 Ca 0.05 0.45 -0.32 0.00 0.02 0.00 0.00 55.97 56.18 3h8u s LYS 91 Cb -0.15 -1.93 -0.15 0.00 -0.52 0.00 0.00 37.83 35.08 3h8u s LYS 91 CO 0.01 -1.61 1.25 -2.30 -0.92 0.00 0.00 175.35 171.78 3h8u n PRO 92 N -3.39 1.55 -0.97 -1.68 -0.02 -1.06 -1.51 135.00 127.91 3h8u n PRO 92 Ca 0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3h8u n PRO 92 Cb 0.58 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3h8u n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h8u n GLY 93 N 1.99 0.69 3.57 -1.23 0.00 -0.74 -4.97 105.19 104.49 3h8u n GLY 93 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3h8u n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h8u s GLN 94 N -0.03 3.89 0.26 1.61 -0.21 -0.57 -5.02 119.66 119.60 3h8u s GLN 94 Ca 0.00 -0.35 -0.30 0.00 0.02 0.00 0.00 55.36 54.73 3h8u s GLN 94 Cb 0.00 -3.52 -0.10 0.00 1.00 0.00 0.00 33.01 30.39 3h8u s GLN 94 CO 0.00 -0.11 1.35 0.08 -2.12 0.00 0.00 175.29 174.50 3h8u s VAL 95 N 1.50 2.85 -0.10 1.09 1.01 -1.26 -4.59 120.40 120.90 3h8u s VAL 95 Ca 0.07 0.75 -0.15 0.00 0.00 0.00 0.00 61.98 62.65 3h8u s VAL 95 Cb -0.15 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.78 3h8u s VAL 95 CO 0.07 0.14 0.38 -1.38 0.00 0.00 0.00 175.10 174.31 3h8u s HIS 96 N -0.33 -0.37 0.26 5.22 -3.43 -0.29 -3.85 115.29 112.48 3h8u s HIS 96 Ca 0.55 0.83 -0.20 0.00 -0.80 0.00 0.00 55.06 55.45 3h8u s HIS 96 Cb -0.39 0.15 0.07 0.00 -1.43 0.00 0.00 32.58 30.97 3h8u s HIS 96 CO 0.45 -0.28 0.94 0.20 -2.00 0.00 0.00 174.74 174.05 3h8u s GLY 97 N -0.30 0.19 0.00 -1.38 0.00 -0.92 -1.35 107.32 103.56 3h8u s GLY 97 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3h8u s GLY 97 CO 0.02 1.34 0.00 0.00 0.00 0.00 0.00 173.10 174.46 3h8u n ALA 98 N -0.63 0.00 -4.00 3.20 0.00 -0.60 -0.65 120.51 117.83 3h8u n ALA 98 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 3h8u n ALA 98 Cb 0.60 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.89 3h8u n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3h8u s ASN 100 N 1.77 4.26 0.00 0.00 3.84 -0.73 -0.43 114.94 123.65 3h8u s ASN 100 Ca 0.00 -1.42 0.27 0.00 0.21 0.00 0.00 52.86 51.92 3h8u s ASN 100 Cb 0.00 -1.40 0.88 0.00 -0.55 0.00 0.00 41.25 40.18 3h8u s ASN 100 CO 0.00 -0.24 1.66 -1.54 -2.79 0.00 0.00 177.10 174.19 3h8u n SER 101 N 4.51 0.47 0.00 -4.21 3.41 -1.16 0.04 113.62 116.68 3h8u n SER 101 Ca -0.11 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3h8u n SER 101 Cb 0.43 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3h8u n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h8u n GLY 102 N 1.42 -0.49 0.15 5.00 0.00 -1.25 -4.92 105.19 105.11 3h8u n GLY 102 Ca 0.09 -1.76 0.08 0.00 0.00 0.00 0.00 46.02 44.43 3h8u n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h8u h PRO 103 N 0.00 0.00 -7.39 1.61 0.13 -1.96 -3.43 132.00 120.95 3h8u h PRO 103 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 3h8u h PRO 103 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 3h8u h PRO 103 CO 0.00 0.13 0.41 -1.21 -0.23 0.00 0.00 178.00 177.11 3h8u s GLU 104 N -3.17 3.31 0.41 0.86 2.02 -1.26 -4.75 118.70 116.12 3h8u s GLU 104 Ca 0.02 0.68 -0.25 0.00 0.02 0.00 0.00 54.97 55.44 3h8u s GLU 104 Cb 0.08 -2.05 -0.11 0.00 0.10 0.00 0.00 34.13 32.14 3h8u s GLU 104 CO 0.75 -0.76 1.03 -0.35 0.02 0.00 0.00 175.26 175.94 3h8u n PRO 105 N -2.87 1.39 -3.60 0.39 -0.04 -1.26 -4.61 135.00 124.41 3h8u n PRO 105 Ca 0.06 0.50 -0.40 0.00 -0.04 0.00 0.00 63.50 63.62 3h8u n PRO 105 Cb 0.55 -2.05 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 3h8u n PRO 105 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3h8u s PHE 106 N -1.26 3.21 -0.07 0.54 5.36 -0.28 -3.25 117.98 122.24 3h8u s PHE 106 Ca 0.63 -0.51 0.02 0.00 -0.96 0.00 0.00 56.93 56.11 3h8u s PHE 106 Cb -0.56 -2.42 0.01 0.00 -0.34 0.00 0.00 43.02 39.71 3h8u s PHE 106 CO 0.57 -0.46 -0.13 0.42 -1.46 0.00 0.00 175.22 174.16 3h8u s ILE 107 N 1.64 1.19 0.07 3.12 1.01 -0.43 -0.93 121.20 126.87 3h8u s ILE 107 Ca 0.05 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 3h8u s ILE 107 Cb -0.18 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 3h8u s ILE 107 CO 0.08 0.37 0.13 0.72 0.00 0.00 0.00 174.94 176.24 3h8u s PHE 108 N 0.65 0.24 -0.24 3.97 -0.71 -0.80 0.08 117.98 121.17 3h8u s PHE 108 Ca -0.15 -0.68 -0.07 0.00 -1.04 0.00 0.00 56.93 54.99 3h8u s PHE 108 Cb -0.16 -0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 3h8u s PHE 108 CO 0.04 -0.49 0.05 0.08 -1.34 0.00 0.00 175.22 173.57 3h8u s VAL 109 N -3.73 4.25 -0.21 -2.49 1.01 -0.36 -1.26 120.40 117.61 3h8u s VAL 109 Ca 0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 3h8u s VAL 109 Cb 0.05 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 3h8u s VAL 109 CO -0.10 0.37 0.13 -0.55 0.00 0.00 0.00 175.10 174.94 3h8u s SER 110 N 1.42 6.11 -0.29 3.32 0.15 0.11 -0.42 113.70 124.10 3h8u s SER 110 Ca 0.05 0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.89 3h8u s SER 110 Cb -0.15 -2.08 0.06 0.00 -1.71 0.00 0.00 66.02 62.15 3h8u s SER 110 CO 0.03 0.15 -0.03 -0.69 1.20 0.00 0.00 173.24 173.90 3h8u s VAL 111 N 0.53 2.60 -0.18 4.45 1.01 0.20 -0.98 120.40 128.03 3h8u s VAL 111 Ca 0.07 -1.60 -0.13 0.00 0.00 0.00 0.00 61.98 60.33 3h8u s VAL 111 Cb -0.12 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 3h8u s VAL 111 CO -0.00 -0.14 0.24 -0.69 0.00 0.00 0.00 175.10 174.51 3h8u s VAL 112 N 1.15 5.34 -0.03 2.92 1.01 -0.51 -1.40 120.40 128.88 3h8u s VAL 112 Ca -0.05 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.37 3h8u s VAL 112 Cb -0.20 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.61 3h8u s VAL 112 CO -0.03 0.40 -0.03 0.00 0.00 0.00 0.00 175.10 175.44 3h8u s ALA 113 N 0.48 0.45 1.01 5.51 0.00 0.02 -1.27 121.76 127.96 3h8u s ALA 113 Ca 0.14 -0.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 3h8u s ALA 113 Cb -0.12 -0.29 0.20 0.00 0.00 0.00 0.00 23.12 22.90 3h8u s ALA 113 CO 0.02 -0.00 1.08 -2.14 0.00 0.00 0.00 175.76 174.72 3h8u s PRO 114 N 0.66 0.33 0.46 0.00 0.02 -1.26 -0.50 135.00 134.71 3h8u s PRO 114 Ca -0.07 0.64 0.17 0.00 0.02 0.00 0.00 61.00 61.76 3h8u s PRO 114 Cb -0.11 -1.72 1.09 0.00 0.02 0.00 0.00 34.50 33.78 3h8u s PRO 114 CO -0.01 -2.83 2.00 0.78 -0.33 0.00 0.00 177.00 176.61 3h8u h GLY 115 N -1.97 0.00 -2.76 0.52 0.00 -0.91 -2.43 103.07 95.52 3h8u h GLY 115 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3h8u h GLY 115 CO 0.56 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.26 3h8u n ASN 116 N -4.13 4.21 -4.68 0.19 6.94 -1.26 -4.51 115.26 112.02 3h8u n ASN 116 Ca -0.02 -2.34 -0.42 0.00 -0.02 0.00 0.00 54.58 51.78 3h8u n ASN 116 Cb 0.26 -0.53 -0.03 0.00 -2.36 0.00 0.00 39.78 37.12 3h8u n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h8u s ALA 117 N -1.71 3.68 0.83 -2.53 0.00 -0.91 -4.98 121.76 116.13 3h8u s ALA 117 Ca 0.46 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.59 3h8u s ALA 117 Cb 0.29 -3.77 0.10 0.00 0.00 0.00 0.00 23.12 19.74 3h8u s ALA 117 CO 0.23 -1.31 1.20 0.20 0.00 0.00 0.00 175.76 176.08 3h8u s GLY 118 N 3.19 1.62 0.11 0.00 0.00 -1.26 -5.00 107.32 105.98 3h8u s GLY 118 Ca 0.80 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 44.76 3h8u s GLY 118 CO 0.36 -0.20 0.10 -0.11 0.00 0.00 0.00 173.10 173.25 3h8u s PHE 119 N -3.62 0.61 -0.01 1.90 -0.12 -1.26 -4.04 117.98 111.43 3h8u s PHE 119 Ca 0.64 -1.02 0.02 0.00 -0.05 0.00 0.00 56.93 56.52 3h8u s PHE 119 Cb -0.10 -0.32 -0.00 0.00 -0.63 0.00 0.00 43.02 41.97 3h8u s PHE 119 CO 0.50 -0.53 -0.08 0.00 -0.05 0.00 0.00 175.22 175.05 3h8u s ALA 120 N -3.98 0.69 0.30 1.99 0.00 0.08 -4.98 121.76 115.86 3h8u s ALA 120 Ca 0.17 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.52 3h8u s ALA 120 Cb 0.06 -0.21 -0.10 0.00 0.00 0.00 0.00 23.12 22.87 3h8u s ALA 120 CO -0.03 0.14 1.37 -0.51 0.00 0.00 0.00 175.76 176.74 3h8u s LEU 121 N -0.03 4.40 -0.25 0.00 1.43 -1.26 -0.63 118.68 122.34 3h8u s LEU 121 Ca 0.01 2.71 -0.26 0.00 -1.03 0.00 0.00 54.13 55.56 3h8u s LEU 121 Cb -0.05 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.63 3h8u s LEU 121 CO -0.00 -0.63 0.90 0.00 0.23 0.00 0.00 176.35 176.85 3h8u s ALA 122 N -0.69 -1.89 -0.48 4.21 0.00 -0.74 -4.85 121.76 117.32 3h8u s ALA 122 Ca 0.53 1.87 0.18 0.00 0.00 0.00 0.00 51.96 54.55 3h8u s ALA 122 Cb -0.41 -1.20 -0.24 0.00 0.00 0.00 0.00 23.12 21.27 3h8u s ALA 122 CO 0.50 -0.29 0.61 0.39 0.00 0.00 0.00 175.76 176.97 3h8u n GLU 123 N 2.17 0.79 0.00 0.00 -0.58 -1.26 -3.41 120.64 118.35 3h8u n GLU 123 Ca -0.13 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 3h8u n GLU 123 Cb 0.56 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 3h8u n GLU 123 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01