#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5q h VAL 13 N 0.00 1.03 -0.03 1.97 2.07 -1.92 -1.53 116.25 117.84 1m5q h VAL 13 Ca 0.00 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1m5q h VAL 13 Cb 0.00 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 1m5q h VAL 13 CO 0.00 0.15 -0.08 0.00 0.02 0.00 0.00 177.57 177.66 1m5q h ALA 14 N 1.35 -0.06 -0.65 1.67 0.00 -1.99 -1.07 119.26 118.51 1m5q h ALA 14 Ca 0.32 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1m5q h ALA 14 Cb 0.14 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1m5q h ALA 14 CO -0.16 -0.56 0.27 0.93 0.00 0.00 0.00 179.25 179.73 1m5q h GLU 15 N -0.12 0.96 -0.30 0.00 3.07 -1.95 -2.74 114.58 113.50 1m5q h GLU 15 Ca 0.04 -0.17 -0.10 0.00 -0.50 0.00 0.00 59.36 58.64 1m5q h GLU 15 Cb 0.17 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1m5q h GLU 15 CO -0.10 0.80 -0.21 -0.07 -1.40 0.00 0.00 179.01 178.02 1m5q h LEU 16 N 0.90 0.56 -2.09 1.33 3.38 -1.15 -2.26 115.31 116.00 1m5q h LEU 16 Ca 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1m5q h LEU 16 Cb 0.19 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1m5q h LEU 16 CO -0.02 0.78 -0.03 0.78 0.09 0.00 0.00 178.44 180.04 1m5q h ASN 17 N 0.50 0.00 0.99 -0.43 4.21 -0.90 0.20 115.58 120.15 1m5q h ASN 17 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1m5q h ASN 17 Cb 0.65 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1m5q h ASN 17 CO 0.05 0.03 0.00 -1.13 -1.29 0.00 0.00 177.43 175.08 1m5q h ASN 18 N 0.00 0.00 -0.67 5.81 -0.73 -1.21 -2.78 115.58 115.99 1m5q h ASN 18 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1m5q h ASN 18 Cb 0.05 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.64 1m5q h ASN 18 CO 0.00 0.00 0.00 0.18 -0.37 0.00 0.00 177.43 177.24 1m5q n LEU 19 N -2.32 3.82 -4.74 0.34 4.77 0.69 -4.95 117.00 114.61 1m5q n LEU 19 Ca 0.03 -1.96 -0.42 0.00 -0.03 0.00 0.00 56.01 53.63 1m5q n LEU 19 Cb 0.30 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1m5q n LEU 19 CO 0.24 0.95 1.28 0.18 -1.33 0.00 0.00 177.39 178.70 1m5q n LEU 20 N 1.53 4.25 0.00 2.23 4.77 -1.05 -0.76 117.00 127.97 1m5q n LEU 20 Ca 0.23 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.33 1m5q n LEU 20 Cb 0.60 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1m5q n LEU 20 CO 0.16 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1m5q n GLY 21 N 2.68 1.36 3.84 -0.72 0.00 -0.27 -5.00 105.19 107.07 1m5q n GLY 21 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1m5q n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m5q s ARG 22 N -0.49 2.79 0.12 1.61 1.81 0.06 -4.82 118.95 120.04 1m5q s ARG 22 Ca 0.00 -1.22 -0.30 0.00 -1.72 0.00 0.00 55.73 52.49 1m5q s ARG 22 Cb 0.00 -2.51 -0.06 0.00 -0.45 0.00 0.00 34.95 31.93 1m5q s ARG 22 CO 0.00 0.19 0.94 -2.00 -0.68 0.00 0.00 175.30 173.75 1m5q s GLU 23 N -3.95 4.70 0.09 3.54 2.12 -1.26 -0.54 118.70 123.40 1m5q s GLU 23 Ca 0.39 1.42 -0.02 0.00 0.36 0.00 0.00 54.97 57.12 1m5q s GLU 23 Cb -0.06 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1m5q s GLU 23 CO 0.26 0.26 0.02 0.14 -0.54 0.00 0.00 175.26 175.40 1m5q s VAL 24 N -0.16 0.16 -0.09 3.70 -7.23 0.25 -4.69 120.40 112.36 1m5q s VAL 24 Ca 0.45 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 1m5q s VAL 24 Cb -0.23 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1m5q s VAL 24 CO 0.29 -0.74 -0.15 -1.58 -0.31 0.00 0.00 175.10 172.61 1m5q s GLN 25 N -3.97 2.91 -0.20 4.82 0.74 -0.43 -1.18 119.66 122.34 1m5q s GLN 25 Ca 0.14 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.84 1m5q s GLN 25 Cb 0.08 -2.46 0.02 0.00 1.10 0.00 0.00 33.01 31.75 1m5q s GLN 25 CO -0.05 0.41 -0.15 0.08 -0.55 0.00 0.00 175.29 175.03 1m5q s VAL 26 N -0.17 2.35 -0.20 1.34 1.01 0.59 0.01 120.40 125.34 1m5q s VAL 26 Ca -0.01 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 1m5q s VAL 26 Cb -0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1m5q s VAL 26 CO 0.03 0.40 0.35 -0.69 0.00 0.00 0.00 175.10 175.20 1m5q s VAL 27 N 1.29 5.23 0.09 2.92 1.01 -0.47 -1.50 120.40 128.99 1m5q s VAL 27 Ca 0.03 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1m5q s VAL 27 Cb -0.15 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1m5q s VAL 27 CO -0.10 0.28 0.23 -0.76 0.00 0.00 0.00 175.10 174.76 1m5q s LEU 28 N 1.16 4.34 0.18 3.92 1.43 0.96 -0.87 118.68 129.80 1m5q s LEU 28 Ca 0.17 0.23 0.20 0.00 -1.03 0.00 0.00 54.13 53.70 1m5q s LEU 28 Cb -0.14 -2.93 0.86 0.00 0.03 0.00 0.00 46.19 44.00 1m5q s LEU 28 CO 0.07 0.13 1.61 -1.54 0.23 0.00 0.00 176.35 176.85 1m5q n SER 29 N 0.01 0.45 -0.29 2.29 3.41 -0.14 -1.36 113.62 117.98 1m5q n SER 29 Ca -0.06 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 1m5q n SER 29 Cb 0.52 -0.71 0.49 0.00 -0.26 0.00 0.00 64.21 64.24 1m5q n SER 29 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1m5q n ASN 30 N -2.01 0.88 0.00 4.04 6.94 -1.26 -4.89 115.26 118.96 1m5q n ASN 30 Ca 0.02 -1.54 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 1m5q n ASN 30 Cb 0.19 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1m5q n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1m5q n GLY 31 N 0.99 1.54 3.82 4.83 0.00 -0.47 -5.06 105.19 110.83 1m5q n GLY 31 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1m5q n GLY 31 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m5q s GLU 32 N -0.93 3.14 -0.09 1.61 2.02 -1.25 -4.82 118.70 118.38 1m5q s GLU 32 Ca 0.00 1.02 -0.03 0.00 0.02 0.00 0.00 54.97 55.98 1m5q s GLU 32 Cb 0.00 -2.02 0.04 0.00 0.10 0.00 0.00 34.13 32.25 1m5q s GLU 32 CO 0.00 -0.94 0.06 0.08 0.02 0.00 0.00 175.26 174.48 1m5q s VAL 33 N -2.85 -0.01 -0.12 2.63 1.01 -1.26 -0.03 120.40 119.77 1m5q s VAL 33 Ca 0.60 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 1m5q s VAL 33 Cb -0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1m5q s VAL 33 CO 0.48 0.04 0.01 -0.31 0.00 0.00 0.00 175.10 175.32 1m5q s TYR 34 N 2.12 3.16 -0.09 5.22 2.02 -0.56 -3.01 117.35 126.21 1m5q s TYR 34 Ca 0.04 0.08 0.04 0.00 -0.37 0.00 0.00 57.07 56.86 1m5q s TYR 34 Cb -0.13 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 1m5q s TYR 34 CO -0.05 0.32 -0.23 0.21 -1.57 0.00 0.00 175.55 174.22 1m5q s LYS 35 N -0.41 2.88 -0.07 -0.62 2.20 -0.12 -0.30 119.74 123.31 1m5q s LYS 35 Ca 0.08 -0.87 -0.26 0.00 -0.36 0.00 0.00 55.97 54.56 1m5q s LYS 35 Cb -0.12 -2.28 0.08 0.00 -1.51 0.00 0.00 37.83 34.01 1m5q s LYS 35 CO 0.02 0.27 1.17 0.41 -0.36 0.00 0.00 175.35 176.86 1m5q n GLY 36 N 3.28 0.16 3.71 5.54 0.00 -0.33 -1.00 105.19 116.56 1m5q n GLY 36 Ca -0.18 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1m5q n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m5q s VAL 37 N -2.01 4.52 -0.28 1.61 1.01 -0.64 -0.58 120.40 124.02 1m5q s VAL 37 Ca 0.28 1.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.82 1m5q s VAL 37 Cb -0.00 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1m5q s VAL 37 CO -0.02 0.17 1.41 -0.22 0.00 0.00 0.00 175.10 176.44 1m5q s LEU 38 N 0.85 3.87 -0.13 3.92 2.96 0.30 0.63 118.68 131.08 1m5q s LEU 38 Ca 0.53 1.33 0.17 0.00 -0.22 0.00 0.00 54.13 55.95 1m5q s LEU 38 Cb -0.24 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.66 1m5q s LEU 38 CO 0.29 -1.16 0.17 1.57 -1.32 0.00 0.00 176.35 175.90 1m5q n HIS 39 N 7.96 0.00 -3.59 5.38 -0.00 0.93 -1.12 115.22 124.77 1m5q n HIS 39 Ca 0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.75 1m5q n HIS 39 Cb 0.46 -0.76 -0.06 0.00 -0.00 0.00 0.00 29.99 29.63 1m5q n HIS 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1m5q s ALA 40 N -2.71 -1.86 -0.08 1.57 0.00 -0.94 -4.91 121.76 112.84 1m5q s ALA 40 Ca -0.08 1.71 -0.04 0.00 0.00 0.00 0.00 51.96 53.54 1m5q s ALA 40 Cb 0.07 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.40 1m5q s ALA 40 CO 0.76 -0.31 0.18 0.08 0.00 0.00 0.00 175.76 176.47 1m5q s VAL 41 N -0.39 -0.03 0.52 0.00 1.01 -1.26 -0.78 120.40 119.45 1m5q s VAL 41 Ca -0.02 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1m5q s VAL 41 Cb -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.08 1m5q s VAL 41 CO 0.02 0.05 0.24 1.51 0.00 0.00 0.00 175.10 176.92 1m5q s ASP 42 N 0.90 4.44 0.45 3.32 1.47 -1.16 -4.98 116.67 121.11 1m5q s ASP 42 Ca -0.07 -1.36 0.15 0.00 1.18 0.00 0.00 52.55 52.45 1m5q s ASP 42 Cb -0.08 0.34 1.08 0.00 -0.34 0.00 0.00 42.92 43.92 1m5q s ASP 42 CO -0.05 -0.95 2.01 0.78 0.68 0.00 0.00 175.17 177.64 1m5q h ASN 43 N 1.03 0.29 0.03 2.11 2.35 -1.99 0.46 115.58 119.86 1m5q h ASN 43 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1m5q h ASN 43 Cb 1.30 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1m5q h ASN 43 CO 0.64 0.18 -0.01 0.00 -1.65 0.00 0.00 177.43 176.60 1m5q n GLN 44 N -4.47 1.24 -2.64 0.81 6.02 -1.26 -4.92 117.38 112.16 1m5q n GLN 44 Ca 0.07 -0.41 -0.12 0.00 -0.01 0.00 0.00 57.00 56.54 1m5q n GLN 44 Cb 0.32 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.11 1m5q n GLN 44 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1m5q n LEU 45 N -0.53 -2.12 -4.81 1.08 7.99 0.15 -4.78 117.00 113.98 1m5q n LEU 45 Ca 0.21 -0.15 -0.33 0.00 -0.01 0.00 0.00 56.01 55.74 1m5q n LEU 45 Cb 0.22 -1.85 -0.00 0.00 -0.11 0.00 0.00 43.42 41.68 1m5q n LEU 45 CO 0.18 0.11 0.71 0.20 -1.51 0.00 0.00 177.39 177.08 1m5q s ASN 46 N -2.82 6.01 -0.01 -1.43 0.01 -1.26 -4.32 114.94 111.12 1m5q s ASN 46 Ca 0.15 1.75 0.03 0.00 -0.71 0.00 0.00 52.86 54.09 1m5q s ASN 46 Cb -0.07 -2.53 -0.00 0.00 0.41 0.00 0.00 41.25 39.06 1m5q s ASN 46 CO 0.19 -1.01 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.05 1m5q s ILE 47 N -2.49 0.78 -0.22 0.60 -1.09 -0.72 -3.00 121.20 115.06 1m5q s ILE 47 Ca 0.62 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.63 1m5q s ILE 47 Cb -0.14 -0.66 0.02 0.00 -1.58 0.00 0.00 42.46 40.09 1m5q s ILE 47 CO 0.35 0.23 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.49 1m5q s VAL 48 N -0.11 2.67 -0.07 2.92 1.01 0.04 -0.57 120.40 126.28 1m5q s VAL 48 Ca 0.02 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1m5q s VAL 48 Cb -0.05 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1m5q s VAL 48 CO -0.00 0.36 0.19 -0.76 0.00 0.00 0.00 175.10 174.89 1m5q s LEU 49 N 1.34 4.39 -0.05 3.92 1.43 0.28 -0.05 118.68 129.94 1m5q s LEU 49 Ca 0.03 0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 1m5q s LEU 49 Cb -0.15 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1m5q s LEU 49 CO -0.07 0.36 0.08 0.00 0.23 0.00 0.00 176.35 176.94 1m5q s ALA 50 N -1.11 3.58 -1.02 4.21 0.00 0.20 -1.12 121.76 126.51 1m5q s ALA 50 Ca 0.19 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 1m5q s ALA 50 Cb -0.13 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.38 1m5q s ALA 50 CO 0.09 0.65 0.58 0.09 0.00 0.00 0.00 175.76 177.17 1m5q n ASN 51 N 1.61 -3.62 -4.99 0.00 3.02 0.28 -1.63 115.26 109.93 1m5q n ASN 51 Ca -0.16 -1.11 -0.19 0.00 -0.03 0.00 0.00 54.58 53.09 1m5q n ASN 51 Cb 0.53 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 1m5q n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1m5q s ALA 52 N -3.62 4.28 0.04 5.41 0.00 -0.37 -4.44 121.76 123.06 1m5q s ALA 52 Ca 0.38 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 1m5q s ALA 52 Cb -0.21 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.23 1m5q s ALA 52 CO 0.84 -0.12 0.29 -1.54 0.00 0.00 0.00 175.76 175.23 1m5q s SER 53 N -4.22 -0.11 0.39 0.00 1.04 -0.17 -0.18 113.70 110.44 1m5q s SER 53 Ca 0.48 -0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.75 1m5q s SER 53 Cb -0.10 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.42 1m5q s SER 53 CO 0.32 -0.60 0.36 -0.46 0.98 0.00 0.00 173.24 173.84 1m5q n ASN 54 N 0.62 2.00 0.23 7.02 0.23 -0.97 -0.95 115.26 123.43 1m5q n ASN 54 Ca -0.19 -2.24 0.10 0.00 -0.53 0.00 0.00 54.58 51.72 1m5q n ASN 54 Cb 0.59 -0.11 0.65 0.00 -2.08 0.00 0.00 39.78 38.84 1m5q n ASN 54 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1m5q h LYS 55 N 0.00 0.00 0.00 -3.83 6.56 -1.89 0.98 116.57 118.39 1m5q h LYS 55 Ca -0.23 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.36 1m5q h LYS 55 Cb 0.88 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.54 1m5q h LYS 55 CO 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.74 1m5q n ALA 56 N -2.55 2.39 -0.96 3.86 0.00 -1.26 -4.85 120.51 117.14 1m5q n ALA 56 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1m5q n ALA 56 Cb 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1m5q n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m5q n GLY 57 N 0.49 0.41 3.78 0.00 0.00 0.34 -4.99 105.19 105.21 1m5q n GLY 57 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1m5q n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m5q s GLU 58 N -0.61 3.84 0.05 1.61 2.02 -1.26 -4.82 118.70 119.53 1m5q s GLU 58 Ca 0.00 1.55 0.08 0.00 0.02 0.00 0.00 54.97 56.62 1m5q s GLU 58 Cb 0.00 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 1m5q s GLU 58 CO 0.00 -0.43 -0.24 0.15 0.02 0.00 0.00 175.26 174.76 1m5q s LYS 59 N -2.87 1.60 0.01 1.61 1.02 -1.26 -2.30 119.74 117.55 1m5q s LYS 59 Ca 0.64 -1.05 0.01 0.00 0.02 0.00 0.00 55.97 55.59 1m5q s LYS 59 Cb -0.22 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1m5q s LYS 59 CO 0.27 0.45 -0.03 -0.06 -0.92 0.00 0.00 175.35 175.06 1m5q s PHE 60 N -0.82 0.25 0.13 3.18 0.40 0.74 -4.99 117.98 116.88 1m5q s PHE 60 Ca 0.10 -0.18 -0.17 0.00 -0.60 0.00 0.00 56.93 56.08 1m5q s PHE 60 Cb -0.09 -0.16 -0.02 0.00 0.51 0.00 0.00 43.02 43.26 1m5q s PHE 60 CO 0.02 -0.05 1.75 -0.97 0.70 0.00 0.00 175.22 176.67 1m5q h ASN 61 N 5.64 0.42 -3.92 1.36 -0.00 -1.93 -0.95 115.58 116.20 1m5q h ASN 61 Ca -0.28 -0.07 -0.33 0.00 -0.00 0.00 0.00 56.30 55.62 1m5q h ASN 61 Cb 1.20 -0.11 -0.28 0.00 -0.00 0.00 0.00 38.32 39.13 1m5q h ASN 61 CO 0.48 0.37 -0.76 -0.13 -0.00 0.00 0.00 177.43 177.39 1m5q s ARG 62 N -5.93 0.47 -0.14 6.67 1.81 -1.26 -0.56 118.95 120.01 1m5q s ARG 62 Ca -0.13 -0.21 -0.00 0.00 -1.72 0.00 0.00 55.73 53.67 1m5q s ARG 62 Cb 0.10 -0.45 0.03 0.00 -0.45 0.00 0.00 34.95 34.17 1m5q s ARG 62 CO 0.72 0.12 -0.09 0.08 -0.68 0.00 0.00 175.30 175.45 1m5q s VAL 63 N -0.13 1.27 -0.39 3.52 1.01 -0.28 -4.99 120.40 120.41 1m5q s VAL 63 Ca 0.02 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 1m5q s VAL 63 Cb -0.02 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1m5q s VAL 63 CO -0.00 0.33 0.25 -0.36 0.00 0.00 0.00 175.10 175.32 1m5q s PHE 64 N 1.60 3.24 0.00 5.22 0.40 -1.26 -0.56 117.98 126.62 1m5q s PHE 64 Ca 0.04 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.58 1m5q s PHE 64 Cb -0.13 -2.51 0.00 0.00 0.51 0.00 0.00 43.02 40.89 1m5q s PHE 64 CO -0.09 -0.62 0.00 -0.89 0.70 0.00 0.00 175.22 174.32 1m5q n ILE 65 N 5.07 0.00 -0.03 0.64 5.41 0.27 -5.00 119.36 125.72 1m5q n ILE 65 Ca -0.11 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.61 1m5q n ILE 65 Cb 0.47 -0.71 -0.05 0.00 -0.71 0.00 0.00 39.64 38.64 1m5q n ILE 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1m5q n TYR 67 N 0.00 0.00 0.30 1.39 0.18 -1.26 -1.75 117.16 116.02 1m5q n TYR 67 Ca 0.00 0.00 0.19 0.00 1.88 0.00 0.00 57.90 59.97 1m5q n TYR 67 Cb 0.00 -0.30 0.98 0.00 -0.38 0.00 0.00 39.34 39.64 1m5q n TYR 67 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1m5q h ARG 68 N 0.00 0.00 -0.07 -3.48 3.08 -1.91 -2.71 114.38 109.29 1m5q h ARG 68 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1m5q h ARG 68 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1m5q h ARG 68 CO 0.01 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.57 1m5q n TYR 69 N -2.88 0.07 -2.75 3.04 4.02 -1.26 -4.93 117.16 112.46 1m5q n TYR 69 Ca -0.02 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.90 57.40 1m5q n TYR 69 Cb 0.11 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 1m5q n TYR 69 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1m5q s ILE 70 N -1.42 4.74 -0.16 -0.72 1.01 -1.02 -0.97 121.20 122.67 1m5q s ILE 70 Ca 0.22 1.85 -0.21 0.00 0.00 0.00 0.00 60.65 62.50 1m5q s ILE 70 Cb 0.15 -4.23 -0.19 0.00 0.01 0.00 0.00 42.46 38.20 1m5q s ILE 70 CO 0.22 -0.13 0.42 0.58 0.00 0.00 0.00 174.94 176.03 1m5q h VAL 71 N 5.43 1.15 -3.14 2.92 2.07 -1.33 -3.47 116.25 119.88 1m5q h VAL 71 Ca -0.21 -2.02 -0.01 0.00 0.82 0.00 0.00 66.70 65.28 1m5q h VAL 71 Cb 1.07 2.33 -0.11 0.00 -1.52 0.00 0.00 31.29 33.06 1m5q h VAL 71 CO 0.94 0.39 0.12 -1.38 0.02 0.00 0.00 177.57 177.65 1m5q s HIS 72 N -2.18 -0.33 -0.09 1.57 0.00 -1.22 -5.04 115.29 108.00 1m5q s HIS 72 Ca -0.19 0.04 0.03 0.00 -3.00 0.00 0.00 55.06 51.93 1m5q s HIS 72 Cb 0.01 0.49 0.01 0.00 -4.00 0.00 0.00 32.58 29.08 1m5q s HIS 72 CO 0.53 -0.89 -0.18 0.42 -1.00 0.00 0.00 174.74 173.62 1m5q s ILE 73 N -3.81 1.66 0.06 -5.38 1.01 -1.26 -1.36 121.20 112.11 1m5q s ILE 73 Ca 0.05 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.99 1m5q s ILE 73 Cb -0.01 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 1m5q s ILE 73 CO -0.08 0.47 -0.16 -1.81 0.00 0.00 0.00 174.94 173.36 1m5q s ASP 74 N 0.61 3.94 -0.03 3.58 1.01 0.10 -4.97 116.67 120.91 1m5q s ASP 74 Ca -0.14 -0.42 0.01 0.00 0.71 0.00 0.00 52.55 52.71 1m5q s ASP 74 Cb -0.17 -0.66 0.02 0.00 1.01 0.00 0.00 42.92 43.12 1m5q s ASP 74 CO 0.04 0.24 -0.03 -0.55 0.21 0.00 0.00 175.17 175.08 1m5q s SER 75 N -1.62 0.63 0.00 0.27 0.15 -1.26 -1.31 113.70 110.56 1m5q s SER 75 Ca 0.16 -0.08 0.20 0.00 0.70 0.00 0.00 55.95 56.93 1m5q s SER 75 Cb -0.11 -0.26 -0.06 0.00 -1.71 0.00 0.00 66.02 63.88 1m5q s SER 75 CO 0.07 -0.04 0.95 0.35 1.20 0.00 0.00 173.24 175.77 1m5q n THR 76 N 3.77 0.00 -2.50 6.45 -2.24 -1.26 -4.99 114.28 113.51 1m5q n THR 76 Ca -0.23 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.10 1m5q n THR 76 Cb 0.53 1.17 0.07 0.00 -2.10 0.00 0.00 70.33 70.00 1m5q n THR 76 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1m5q s GLU 77 N -2.40 2.13 -0.31 -0.78 2.02 -1.26 -5.07 118.70 113.03 1m5q s GLU 77 Ca 0.14 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.39 1m5q s GLU 77 Cb 0.16 -2.34 0.07 0.00 0.10 0.00 0.00 34.13 32.11 1m5q s GLU 77 CO 0.58 -1.12 0.00 1.03 0.02 0.00 0.00 175.26 175.78 1m5q s ARG 78 N -5.03 2.13 -0.13 1.61 1.81 -1.26 -5.10 118.95 112.99 1m5q s ARG 78 Ca 0.61 -1.48 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 1m5q s ARG 78 Cb -0.09 -3.15 -0.01 0.00 -0.45 0.00 0.00 34.95 31.25 1m5q s ARG 78 CO 0.42 -0.73 -0.14 1.03 -0.68 0.00 0.00 175.30 175.20 1m5q s ARG 79 N 1.12 3.33 -0.23 3.54 1.81 -1.26 -5.08 118.95 122.19 1m5q s ARG 79 Ca -0.01 -0.71 -0.29 0.00 -1.72 0.00 0.00 55.73 52.99 1m5q s ARG 79 Cb -0.20 -2.60 0.01 0.00 -0.45 0.00 0.00 34.95 31.70 1m5q s ARG 79 CO -0.04 0.17 1.10 0.42 -0.68 0.00 0.00 175.30 176.27 1m5q s ILE 80 N 0.44 4.56 0.53 1.52 1.01 -1.26 -5.12 121.20 122.89 1m5q s ILE 80 Ca -0.11 1.88 0.06 0.00 0.00 0.00 0.00 60.65 62.48 1m5q s ILE 80 Cb -0.16 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.10 1m5q s ILE 80 CO 0.05 -0.21 0.46 -0.62 0.00 0.00 0.00 174.94 174.62 1m5q s ASP 81 N 1.46 4.73 0.00 3.58 -1.08 -1.26 -5.08 116.67 119.02 1m5q s ASP 81 Ca 0.47 -1.14 0.00 0.00 -0.52 0.00 0.00 52.55 51.36 1m5q s ASP 81 Cb -0.16 0.29 0.00 0.00 -1.46 0.00 0.00 42.92 41.59 1m5q s ASP 81 CO 0.09 -1.09 0.00 0.54 0.52 0.00 0.00 175.17 175.23 1m5q n ARG 83 N -1.81 0.00 0.02 4.34 1.74 -1.26 -2.05 116.66 117.65 1m5q n ARG 83 Ca 0.01 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 1m5q n ARG 83 Cb 0.64 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.07 1m5q n ARG 83 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1m5q h GLU 84 N 0.00 0.54 -0.62 5.56 4.81 -1.99 -2.26 114.58 120.61 1m5q h GLU 84 Ca 0.00 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1m5q h GLU 84 Cb 0.00 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1m5q h GLU 84 CO 0.00 1.07 0.31 0.35 -0.73 0.00 0.00 179.01 180.01 1m5q h PHE 85 N 0.37 0.89 -0.71 0.92 3.57 -1.85 -1.33 116.94 118.80 1m5q h PHE 85 Ca -0.04 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.52 1m5q h PHE 85 Cb 1.34 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 1m5q h PHE 85 CO 0.06 0.66 0.35 0.00 -2.23 0.00 0.00 178.31 177.15 1m5q h ALA 86 N 1.14 0.98 -0.60 2.41 0.00 -1.80 0.84 119.26 122.23 1m5q h ALA 86 Ca 0.22 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1m5q h ALA 86 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1m5q h ALA 86 CO -0.03 -0.06 0.12 0.87 0.00 0.00 0.00 179.25 180.15 1m5q h LYS 87 N 0.59 0.98 -0.49 0.00 1.57 -0.80 0.02 116.57 118.44 1m5q h LYS 87 Ca 0.35 -0.25 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 1m5q h LYS 87 Cb 0.38 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1m5q h LYS 87 CO -0.27 0.91 -0.20 1.96 -0.57 0.00 0.00 179.45 181.28 1m5q h GLN 88 N 0.89 1.00 -0.23 3.15 1.08 -0.58 -2.98 115.11 117.44 1m5q h GLN 88 Ca 0.18 -0.42 -0.08 0.00 -1.45 0.00 0.00 58.65 56.89 1m5q h GLN 88 Cb 0.39 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1m5q h GLN 88 CO 0.01 1.09 -0.18 0.00 -0.95 0.00 0.00 178.83 178.80 1m5q h ALA 89 N 0.90 1.26 0.00 3.87 0.00 -0.71 -2.41 119.26 122.17 1m5q h ALA 89 Ca 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1m5q h ALA 89 Cb 0.78 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1m5q h ALA 89 CO 0.06 0.49 -0.16 1.49 0.00 0.00 0.00 179.25 181.14 1m5q h GLU 90 N 0.37 0.00 0.00 0.00 4.57 -0.83 0.28 114.58 118.97 1m5q h GLU 90 Ca 0.06 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1m5q h GLU 90 Cb 0.54 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1m5q h GLU 90 CO 0.04 0.16 -0.02 0.87 -1.18 0.00 0.00 179.01 178.87 1m5q h LYS 91 N 0.00 0.00 0.02 1.92 1.57 -1.39 -2.53 116.57 116.16 1m5q h LYS 91 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1m5q h LYS 91 Cb 0.37 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 1m5q h LYS 91 CO 0.02 0.02 -2.29 -0.89 -0.57 0.00 0.00 179.45 175.75 1m5q n ILE 92 N -3.11 1.51 -2.94 1.86 2.08 -0.39 -4.56 119.36 113.80 1m5q n ILE 92 Ca 0.02 -0.72 -0.25 0.00 0.56 0.00 0.00 62.75 62.36 1m5q n ILE 92 Cb 0.43 -1.05 -0.03 0.00 -0.75 0.00 0.00 39.64 38.23 1m5q n ILE 92 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1m5q n PHE 93 N -3.07 3.33 -1.53 1.39 3.01 0.85 -5.09 117.46 116.36 1m5q n PHE 93 Ca -0.36 -3.88 -0.52 0.00 1.01 0.00 0.00 57.45 53.70 1m5q n PHE 93 Cb 1.07 -0.44 -0.05 0.00 -0.01 0.00 0.00 39.48 40.04 1m5q n PHE 93 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1m5q n PRO 94 N -0.18 0.65 -2.66 -1.08 -0.04 -0.95 -3.90 135.00 126.84 1m5q n PRO 94 Ca 0.30 0.23 -0.08 0.00 -0.04 0.00 0.00 63.50 63.92 1m5q n PRO 94 Cb 0.46 -1.66 0.04 0.00 -0.04 0.00 0.00 33.50 32.30 1m5q n PRO 94 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1m5q n GLY 95 N 1.92 0.12 1.44 0.55 0.00 -1.26 -5.11 105.19 102.85 1m5q n GLY 95 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1m5q n GLY 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1m5q n VAL 97 N -2.50 -1.08 -3.92 1.61 0.31 -1.25 -5.01 118.33 106.49 1m5q n VAL 97 Ca -0.11 0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 64.52 1m5q n VAL 97 Cb 0.57 -0.66 -0.17 0.00 -0.91 0.00 0.00 33.84 32.68 1m5q n VAL 97 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1m5q s LYS 98 N -1.78 0.53 -0.01 5.55 2.20 -0.74 -5.01 119.74 120.47 1m5q s LYS 98 Ca 0.00 0.06 -0.22 0.00 -0.36 0.00 0.00 55.97 55.45 1m5q s LYS 98 Cb 0.00 -0.75 -0.05 0.00 -1.51 0.00 0.00 37.83 35.52 1m5q s LYS 98 CO 0.00 -0.19 0.65 -0.47 -0.36 0.00 0.00 175.35 174.98 1m5q s TYR 99 N 1.38 3.67 -0.44 4.03 5.04 -1.26 -1.02 117.35 128.75 1m5q s TYR 99 Ca -0.04 1.25 -0.05 0.00 -2.44 0.00 0.00 57.07 55.79 1m5q s TYR 99 Cb -0.13 -2.69 0.12 0.00 0.35 0.00 0.00 41.96 39.61 1m5q s TYR 99 CO -0.02 0.28 0.26 0.42 -1.34 0.00 0.00 175.55 175.14 1m5q s ILE 100 N 0.06 3.62 0.41 3.14 -1.09 0.09 -4.95 121.20 122.48 1m5q s ILE 100 Ca 0.34 -2.00 0.21 0.00 -2.23 0.00 0.00 60.65 56.96 1m5q s ILE 100 Cb -0.18 -3.44 0.23 0.00 -1.58 0.00 0.00 42.46 37.48 1m5q s ILE 100 CO 0.18 -0.73 2.00 1.05 -1.23 0.00 0.00 174.94 176.22 1m5q h GLU 101 N 8.15 0.00 -0.62 2.79 4.11 -1.96 0.87 114.58 127.91 1m5q h GLU 101 Ca -0.15 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 1m5q h GLU 101 Cb 1.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1m5q h GLU 101 CO 0.75 0.18 0.36 0.93 0.07 0.00 0.00 179.01 181.30 1m5q h GLU 102 N 0.00 0.85 0.00 1.06 3.07 -1.96 -3.21 114.58 114.39 1m5q h GLU 102 Ca -0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1m5q h GLU 102 Cb 0.39 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1m5q h GLU 102 CO 0.02 0.61 0.00 0.25 -1.40 0.00 0.00 179.01 178.49 1m5q n THR 103 N -4.40 0.50 -3.77 1.13 -2.24 -1.15 -5.03 114.28 99.34 1m5q n THR 103 Ca 0.06 -0.74 -0.26 0.00 -2.27 0.00 0.00 64.05 60.84 1m5q n THR 103 Cb 0.09 0.76 0.04 0.00 -2.10 0.00 0.00 70.33 69.12 1m5q n THR 103 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1m5q n ASN 104 N -0.25 -4.34 -4.51 3.42 4.05 0.28 -5.01 115.26 108.90 1m5q n ASN 104 Ca 0.00 -0.72 -0.26 0.00 0.45 0.00 0.00 54.58 54.06 1m5q n ASN 104 Cb 0.13 -4.28 -0.10 0.00 1.23 0.00 0.00 39.78 36.76 1m5q n ASN 104 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1m5q s VAL 105 N -3.38 1.42 -0.12 3.44 -7.23 -1.11 -4.53 120.40 108.88 1m5q s VAL 105 Ca 0.48 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1m5q s VAL 105 Cb -0.23 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 33.97 1m5q s VAL 105 CO 0.80 0.00 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.73 1m5q s VAL 106 N -3.03 1.63 -0.15 1.32 1.01 0.10 -0.73 120.40 120.55 1m5q s VAL 106 Ca 0.31 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 1m5q s VAL 106 Cb 0.08 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1m5q s VAL 106 CO 0.15 0.47 0.38 -0.76 0.00 0.00 0.00 175.10 175.34 1m5q s LEU 107 N 1.07 4.25 -0.25 3.92 1.43 -0.19 -0.00 118.68 128.90 1m5q s LEU 107 Ca -0.04 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1m5q s LEU 107 Cb -0.15 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.60 1m5q s LEU 107 CO -0.04 0.04 -0.09 -0.63 0.23 0.00 0.00 176.35 175.86 1m5q s ILE 108 N 0.62 2.45 0.00 -0.59 1.01 -0.20 -1.79 121.20 122.69 1m5q s ILE 108 Ca 0.21 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.49 1m5q s ILE 108 Cb -0.14 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.99 1m5q s ILE 108 CO 0.07 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1m5q n GLY 109 N 4.54 0.39 0.04 6.18 0.00 -1.26 -2.80 105.19 112.29 1m5q n GLY 109 Ca -0.15 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.04 1m5q n GLY 109 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1m5q n ASP 110 N -2.31 0.62 -0.10 1.61 4.64 -1.26 -4.50 116.55 115.25 1m5q n ASP 110 Ca 0.00 -0.11 0.01 0.00 -1.38 0.00 0.00 54.79 53.31 1m5q n ASP 110 Cb 0.00 0.70 0.01 0.00 -1.04 0.00 0.00 41.12 40.79 1m5q n ASP 110 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1m5q n LYS 111 N -2.05 -0.56 -5.10 -0.67 5.02 -1.26 -5.00 118.16 108.55 1m5q n LYS 111 Ca 0.02 -0.67 -0.32 0.00 -2.02 0.00 0.00 58.31 55.32 1m5q n LYS 111 Cb 0.45 -1.05 -0.16 0.00 -0.02 0.00 0.00 35.03 34.25 1m5q n LYS 111 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1m5q s VAL 112 N -0.22 2.36 -0.10 -0.18 1.01 -1.12 -4.57 120.40 117.58 1m5q s VAL 112 Ca 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1m5q s VAL 112 Cb 0.02 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.49 1m5q s VAL 112 CO 0.03 0.56 -0.15 -0.60 0.00 0.00 0.00 175.10 174.93 1m5q s ARG 113 N 0.17 2.17 -0.17 2.72 3.52 -0.78 -1.04 118.95 125.55 1m5q s ARG 113 Ca -0.12 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 54.93 1m5q s ARG 113 Cb -0.16 -1.80 0.01 0.00 -1.56 0.00 0.00 34.95 31.44 1m5q s ARG 113 CO 0.07 -0.01 -0.18 0.08 -0.81 0.00 0.00 175.30 174.44 1m5q s VAL 114 N 0.83 2.29 0.46 7.11 1.01 1.00 -0.96 120.40 132.15 1m5q s VAL 114 Ca -0.10 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.03 1m5q s VAL 114 Cb -0.15 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1m5q s VAL 114 CO 0.01 0.53 0.20 -1.54 0.00 0.00 0.00 175.10 174.30 1m5q n SER 115 N 4.42 2.82 0.30 3.32 3.41 -0.85 0.02 113.62 127.06 1m5q n SER 115 Ca -0.20 -2.76 0.17 0.00 -0.26 0.00 0.00 58.87 55.82 1m5q n SER 115 Cb 0.51 0.11 0.98 0.00 -0.26 0.00 0.00 64.21 65.55 1m5q n SER 115 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1m5q h GLU 116 N 0.00 0.00 -0.01 4.33 4.81 -1.97 -2.02 114.58 119.72 1m5q h GLU 116 Ca -0.33 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.72 1m5q h GLU 116 Cb 1.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1m5q h GLU 116 CO 0.53 0.02 -0.81 0.82 -0.73 0.00 0.00 179.01 178.84 1m5q h ILE 117 N 0.00 1.48 0.00 2.32 2.04 -1.98 -3.50 117.51 117.86 1m5q h ILE 117 Ca -0.00 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.38 1m5q h ILE 117 Cb 0.07 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1m5q h ILE 117 CO 0.00 0.72 0.00 0.61 0.00 0.00 0.00 178.15 179.49 1m5q n GLY 118 N 0.72 0.80 3.76 5.37 0.00 -0.76 -5.10 105.19 109.98 1m5q n GLY 118 Ca -0.03 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 1m5q n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m5q s VAL 119 N -2.53 4.98 -0.14 1.61 1.01 -1.26 -2.00 120.40 122.06 1m5q s VAL 119 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1m5q s VAL 119 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1m5q s VAL 119 CO 0.00 0.42 -0.14 -0.70 0.00 0.00 0.00 175.10 174.67 1m5q s GLU 120 N -0.12 3.28 0.00 2.72 2.12 -0.13 -5.01 118.70 121.55 1m5q s GLU 120 Ca 0.29 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1m5q s GLU 120 Cb -0.17 -2.63 0.00 0.00 0.26 0.00 0.00 34.13 31.59 1m5q s GLU 120 CO 0.15 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 1m5q n GLY 121 N 3.85 2.48 3.29 -1.50 0.00 -1.26 -1.86 105.19 110.19 1m5q n GLY 121 Ca -0.19 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.05 1m5q n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1m5q s VAL 122 N -1.85 1.23 0.00 1.61 -7.23 -1.26 -4.84 120.40 108.06 1m5q s VAL 122 Ca 0.00 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1m5q s VAL 122 Cb 0.00 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.93 1m5q s VAL 122 CO 0.00 -0.61 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 1m5q n GLY 123 N -0.29 -2.49 0.34 2.32 0.00 -1.26 -4.25 105.19 99.57 1m5q n GLY 123 Ca -0.09 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 44.03 1m5q n GLY 123 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1m5q h PRO 124 N 0.00 1.02 -0.03 1.61 0.11 -1.99 -0.39 132.00 132.32 1m5q h PRO 124 Ca 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1m5q h PRO 124 Cb 0.00 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 1m5q h PRO 124 CO 0.00 0.67 0.01 0.28 -0.21 0.00 0.00 178.00 178.75 1m5q h VAL 125 N 1.05 1.18 -0.75 3.15 2.07 -2.00 -1.01 116.25 119.95 1m5q h VAL 125 Ca 0.41 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1m5q h VAL 125 Cb 0.20 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1m5q h VAL 125 CO -0.18 0.15 0.42 0.00 0.02 0.00 0.00 177.57 177.97 1m5q h ALA 126 N 0.79 1.34 -0.01 1.67 0.00 -1.67 0.27 119.26 121.65 1m5q h ALA 126 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1m5q h ALA 126 Cb 0.23 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1m5q h ALA 126 CO 0.00 0.55 0.00 1.49 0.00 0.00 0.00 179.25 181.29 1m5q h GLU 127 N 1.04 0.01 -0.32 0.00 4.57 -0.84 0.71 114.58 119.75 1m5q h GLU 127 Ca 0.27 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.37 1m5q h GLU 127 Cb 0.00 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1m5q h GLU 127 CO -0.05 0.01 -0.13 -0.09 -1.18 0.00 0.00 179.01 177.58 1m5q h ARG 128 N 0.00 0.55 -0.25 1.92 9.65 -0.49 -1.79 114.38 123.96 1m5q h ARG 128 Ca 0.00 -0.16 -0.11 0.00 -1.10 0.00 0.00 59.98 58.60 1m5q h ARG 128 Cb 0.01 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1m5q h ARG 128 CO -0.00 0.67 -0.32 0.00 2.80 0.00 0.00 179.97 183.12 1m5q h ALA 129 N 1.36 0.98 -0.43 2.80 0.00 -0.15 -2.11 119.26 121.71 1m5q h ALA 129 Ca 0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1m5q h ALA 129 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1m5q h ALA 129 CO 0.03 0.60 0.02 0.87 0.00 0.00 0.00 179.25 180.77 1m5q h LYS 130 N 0.45 0.75 -0.46 0.00 1.57 -0.38 0.12 116.57 118.63 1m5q h LYS 130 Ca 0.05 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1m5q h LYS 130 Cb 0.78 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1m5q h LYS 130 CO 0.06 0.81 0.27 0.00 -0.57 0.00 0.00 179.45 180.02 1m5q h ARG 131 N 0.59 0.63 -0.32 3.15 3.08 -1.11 -2.21 114.38 118.19 1m5q h ARG 131 Ca 0.12 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.14 1m5q h ARG 131 Cb 0.46 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1m5q h ARG 131 CO 0.02 0.47 0.16 1.25 -1.07 0.00 0.00 179.97 180.80 1m5q h LEU 132 N 0.61 0.23 -0.69 3.04 5.85 -1.26 -2.48 115.31 120.61 1m5q h LEU 132 Ca 0.16 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1m5q h LEU 132 Cb 0.01 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1m5q h LEU 132 CO -0.03 0.17 0.40 0.15 -0.34 0.00 0.00 178.44 178.79 1m5q h PHE 133 N 0.33 0.93 -0.26 1.25 3.57 -0.49 -1.34 116.94 120.93 1m5q h PHE 133 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1m5q h PHE 133 Cb 0.05 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1m5q h PHE 133 CO -0.10 0.64 0.17 0.93 -2.23 0.00 0.00 178.31 177.73 1m5q h GLU 134 N 0.94 0.35 -0.61 1.11 4.39 -1.28 -1.90 114.58 117.59 1m5q h GLU 134 Ca 0.25 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 1m5q h GLU 134 Cb 0.00 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1m5q h GLU 134 CO -0.04 0.24 0.25 0.93 -1.16 0.00 0.00 179.01 179.23 1m5q h GLU 135 N 0.35 0.88 -0.53 2.33 5.08 -1.17 -2.23 114.58 119.31 1m5q h GLU 135 Ca 0.10 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1m5q h GLU 135 Cb -0.03 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1m5q h GLU 135 CO -0.02 0.72 0.31 0.35 -1.00 0.00 0.00 179.01 179.37 1m5q h PHE 136 N 0.87 0.69 -0.39 4.33 3.57 -0.89 -1.81 116.94 123.31 1m5q h PHE 136 Ca 0.21 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 1m5q h PHE 136 Cb 0.16 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1m5q h PHE 136 CO 0.01 0.47 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.33 1m5q h LEU 137 N 0.72 0.72 0.00 0.59 3.38 -0.73 -3.51 115.31 116.48 1m5q h LEU 137 Ca 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1m5q h LEU 137 Cb -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1m5q h LEU 137 CO -0.03 0.89 0.00 0.29 0.09 0.00 0.00 178.44 179.67