#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6v s ALA 2 N 0.00 -1.87 -0.40 -1.58 0.00 -1.26 -4.98 121.76 111.67 1a6v s ALA 2 Ca 0.00 2.24 0.02 0.00 0.00 0.00 0.00 51.96 54.22 1a6v s ALA 2 Cb 0.00 -1.35 0.11 0.00 0.00 0.00 0.00 23.12 21.88 1a6v s ALA 2 CO 0.00 -0.36 0.14 0.08 0.00 0.00 0.00 175.76 175.63 1a6v s VAL 3 N 1.09 2.69 -0.11 0.00 1.01 -1.26 -4.97 120.40 118.86 1a6v s VAL 3 Ca -0.06 -2.41 -0.30 0.00 0.00 0.00 0.00 61.98 59.22 1a6v s VAL 3 Cb -0.05 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1a6v s VAL 3 CO -0.11 -0.67 1.27 -0.69 0.00 0.00 0.00 175.10 174.90 1a6v s VAL 4 N 0.78 4.19 -0.08 2.92 1.01 -1.26 -2.91 120.40 125.06 1a6v s VAL 4 Ca 0.11 1.48 0.04 0.00 0.00 0.00 0.00 61.98 63.61 1a6v s VAL 4 Cb -0.21 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1a6v s VAL 4 CO -0.06 -0.08 -0.19 -0.89 0.00 0.00 0.00 175.10 173.88 1a6v s THR 5 N 3.00 2.57 0.15 3.92 2.01 -0.48 -4.09 115.64 122.71 1a6v s THR 5 Ca 0.57 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.76 1a6v s THR 5 Cb -0.24 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1a6v s THR 5 CO 0.19 0.56 -0.16 -1.10 -0.69 0.00 0.00 174.62 173.43 1a6v s GLN 6 N -0.15 1.17 0.22 4.92 -0.21 -1.26 -1.78 119.66 122.57 1a6v s GLN 6 Ca -0.02 -1.37 -0.32 0.00 0.02 0.00 0.00 55.36 53.66 1a6v s GLN 6 Cb -0.14 -1.09 -0.12 0.00 1.00 0.00 0.00 33.01 32.66 1a6v s GLN 6 CO 0.04 0.21 1.66 0.39 -2.12 0.00 0.00 175.29 175.46 1a6v n GLU 7 N 0.25 2.63 0.11 2.91 4.71 -1.26 -4.85 120.64 125.14 1a6v n GLU 7 Ca -0.13 0.94 -0.15 0.00 -0.01 0.00 0.00 57.16 57.81 1a6v n GLU 7 Cb 0.58 -2.76 -0.09 0.00 -1.01 0.00 0.00 31.44 28.16 1a6v n GLU 7 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1a6v h SER 8 N 6.11 -1.42 -5.22 1.62 0.02 -1.95 -3.35 113.55 109.36 1a6v h SER 8 Ca -0.44 0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.55 1a6v h SER 8 Cb 1.22 0.53 -0.14 0.00 0.14 0.00 0.00 62.40 64.15 1a6v h SER 8 CO 0.90 -0.53 -0.51 0.00 -1.14 0.00 0.00 176.83 175.55 1a6v s ALA 9 N -5.84 0.18 0.01 3.77 0.00 -1.26 -2.04 121.76 116.58 1a6v s ALA 9 Ca -0.16 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 50.64 1a6v s ALA 9 Cb 0.07 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.69 1a6v s ALA 9 CO 0.62 -0.46 0.46 -0.51 0.00 0.00 0.00 175.76 175.87 1a6v s LEU 10 N -2.91 0.20 -0.24 0.00 1.43 -0.24 -4.91 118.68 112.02 1a6v s LEU 10 Ca 0.08 0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1a6v s LEU 10 Cb 0.06 1.86 0.12 0.00 0.03 0.00 0.00 46.19 48.26 1a6v s LEU 10 CO -0.09 -0.60 0.32 0.28 0.23 0.00 0.00 176.35 176.48 1a6v s THR 11 N -1.88 -0.49 0.56 5.49 -1.32 -1.26 -0.46 115.64 116.29 1a6v s THR 11 Ca -0.09 -0.14 0.06 0.00 -1.21 0.00 0.00 61.69 60.31 1a6v s THR 11 Cb -0.02 -0.79 0.05 0.00 -1.51 0.00 0.00 72.50 70.23 1a6v s THR 11 CO 0.02 -0.20 0.48 0.28 -2.21 0.00 0.00 174.62 173.00 1a6v s THR 12 N 2.45 1.65 0.10 5.08 -1.32 -1.02 -4.95 115.64 117.63 1a6v s THR 12 Ca 0.10 -1.41 0.04 0.00 -1.21 0.00 0.00 61.69 59.21 1a6v s THR 12 Cb -0.15 -2.06 -0.04 0.00 -1.51 0.00 0.00 72.50 68.74 1a6v s THR 12 CO -0.17 0.00 -0.11 -0.94 -2.21 0.00 0.00 174.62 171.19 1a6v s SER 13 N -4.37 1.51 0.01 8.08 1.04 -1.26 -2.16 113.70 116.55 1a6v s SER 13 Ca 0.38 -0.80 -0.38 0.00 0.48 0.00 0.00 55.95 55.63 1a6v s SER 13 Cb -0.03 -0.00 -0.18 0.00 0.10 0.00 0.00 66.02 65.91 1a6v s SER 13 CO 0.24 -0.24 1.29 -2.65 0.98 0.00 0.00 173.24 172.85 1a6v n PRO 14 N 0.61 0.72 0.00 4.02 -0.02 -1.16 0.10 135.00 139.28 1a6v n PRO 14 Ca -0.16 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1a6v n PRO 14 Cb 0.57 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1a6v n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a6v n GLY 15 N 2.34 3.00 3.72 -1.23 0.00 -1.23 -4.97 105.19 106.82 1a6v n GLY 15 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1a6v n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a6v s GLU 16 N -0.25 4.52 0.07 1.61 2.02 0.29 -4.37 118.70 122.60 1a6v s GLU 16 Ca 0.00 1.61 -0.29 0.00 0.02 0.00 0.00 54.97 56.30 1a6v s GLU 16 Cb 0.00 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.80 1a6v s GLU 16 CO 0.00 -0.09 0.94 0.99 0.02 0.00 0.00 175.26 177.12 1a6v s THR 17 N 0.77 4.63 0.03 3.63 2.01 -1.26 -2.53 115.64 122.92 1a6v s THR 17 Ca 0.54 2.01 0.02 0.00 0.31 0.00 0.00 61.69 64.57 1a6v s THR 17 Cb -0.26 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 1a6v s THR 17 CO 0.30 0.28 -0.07 0.54 -0.69 0.00 0.00 174.62 174.97 1a6v s VAL 18 N 0.27 0.53 -0.06 3.82 0.11 -0.79 -4.97 120.40 119.32 1a6v s VAL 18 Ca 0.47 -0.90 0.04 0.00 -2.93 0.00 0.00 61.98 58.67 1a6v s VAL 18 Cb -0.22 -0.57 -0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1a6v s VAL 18 CO 0.28 -0.27 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.70 1a6v s THR 19 N -1.10 1.63 0.01 5.04 2.01 -1.26 -0.73 115.64 121.24 1a6v s THR 19 Ca -0.07 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.14 1a6v s THR 19 Cb -0.08 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1a6v s THR 19 CO 0.00 0.46 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.60 1a6v s LEU 20 N 0.13 3.30 0.27 4.42 1.02 -0.50 -4.97 118.68 122.34 1a6v s LEU 20 Ca -0.08 -0.10 0.08 0.00 0.02 0.00 0.00 54.13 54.06 1a6v s LEU 20 Cb -0.14 -1.89 -0.05 0.00 0.02 0.00 0.00 46.19 44.13 1a6v s LEU 20 CO 0.04 0.28 -0.12 0.42 0.02 0.00 0.00 176.35 176.99 1a6v s THR 21 N -1.04 1.93 -0.26 5.49 -4.23 -1.26 -1.62 115.64 114.64 1a6v s THR 21 Ca 0.18 -2.22 -0.04 0.00 -1.18 0.00 0.00 61.69 58.44 1a6v s THR 21 Cb -0.11 -2.33 0.10 0.00 1.34 0.00 0.00 72.50 71.50 1a6v s THR 21 CO 0.09 -0.39 0.16 0.00 -0.54 0.00 0.00 174.62 173.93 1a6v s ARG 23 N 2.17 2.95 -0.17 0.00 1.70 -0.73 -2.16 118.95 122.70 1a6v s ARG 23 Ca 0.08 -0.58 -0.08 0.00 -0.47 0.00 0.00 55.73 54.67 1a6v s ARG 23 Cb -0.16 -2.78 -0.05 0.00 -0.57 0.00 0.00 34.95 31.40 1a6v s ARG 23 CO -0.29 0.61 0.12 0.45 -1.08 0.00 0.00 175.30 175.11 1a6v s SER 24 N -1.95 6.18 0.09 -2.89 0.15 -1.26 -1.38 113.70 112.64 1a6v s SER 24 Ca 0.25 0.29 0.14 0.00 0.70 0.00 0.00 55.95 57.33 1a6v s SER 24 Cb -0.12 -2.05 0.60 0.00 -1.71 0.00 0.00 66.02 62.75 1a6v s SER 24 CO 0.16 0.27 1.43 -1.54 1.20 0.00 0.00 173.24 174.75 1a6v n SER 25 N 2.95 0.20 -0.79 5.45 3.41 -1.15 -2.70 113.62 120.99 1a6v n SER 25 Ca -0.18 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.08 1a6v n SER 25 Cb 0.53 -0.60 0.24 0.00 -0.26 0.00 0.00 64.21 64.12 1a6v n SER 25 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1a6v n THR 26 N -1.73 2.24 0.00 6.66 -2.24 -1.26 -4.93 114.28 113.02 1a6v n THR 26 Ca 0.02 -1.96 0.00 0.00 -2.27 0.00 0.00 64.05 59.84 1a6v n THR 26 Cb 0.13 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1a6v n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a6v n GLY 27 N -0.65 1.15 3.77 3.38 0.00 -1.10 -5.06 105.19 106.68 1a6v n GLY 27 Ca 0.21 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1a6v n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6v s ALA 28 N -1.18 3.59 0.29 4.61 0.00 -1.26 -4.06 121.76 123.75 1a6v s ALA 28 Ca 0.00 1.52 -0.29 0.00 0.00 0.00 0.00 51.96 53.19 1a6v s ALA 28 Cb 0.00 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 1a6v s ALA 28 CO 0.00 -0.97 1.17 0.08 0.00 0.00 0.00 175.76 176.03 1a6v s VAL 29 N -0.93 3.26 0.26 0.00 1.01 -0.10 -4.99 120.40 118.91 1a6v s VAL 29 Ca 0.54 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.79 1a6v s VAL 29 Cb -0.45 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1a6v s VAL 29 CO 0.59 0.29 0.15 0.42 0.00 0.00 0.00 175.10 176.55 1a6v s THR 30 N -1.07 0.23 -0.03 3.92 -4.23 -1.26 -4.68 115.64 108.52 1a6v s THR 30 Ca 0.46 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.21 1a6v s THR 30 Cb -0.34 -2.54 0.24 0.00 1.34 0.00 0.00 72.50 71.20 1a6v s THR 30 CO 0.44 0.00 1.71 0.71 -0.54 0.00 0.00 174.62 176.95 1a6v h THR 31 N 2.39 0.00 0.00 3.99 1.35 -1.97 -0.99 112.91 117.68 1a6v h THR 31 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1a6v h THR 31 Cb 1.25 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1a6v h THR 31 CO 0.53 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.60 1a6v n SER 32 N -2.35 0.58 0.00 5.36 7.64 -1.26 -2.11 113.62 121.47 1a6v n SER 32 Ca -0.02 0.66 0.11 0.00 1.01 0.00 0.00 58.87 60.63 1a6v n SER 32 Cb 0.09 -0.78 0.04 0.00 -1.01 0.00 0.00 64.21 62.55 1a6v n SER 32 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1a6v n ASN 33 N -2.16 0.75 -4.07 6.43 4.13 -0.38 -4.77 115.26 115.21 1a6v n ASN 33 Ca 0.02 -0.62 -0.38 0.00 1.68 0.00 0.00 54.58 55.28 1a6v n ASN 33 Cb 0.19 0.69 -0.01 0.00 -1.54 0.00 0.00 39.78 39.11 1a6v n ASN 33 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1a6v n TYR 34 N -1.55 -1.17 -1.62 3.10 4.02 -0.90 -0.46 117.16 118.59 1a6v n TYR 34 Ca 0.04 0.18 -0.49 0.00 -0.01 0.00 0.00 57.90 57.63 1a6v n TYR 34 Cb 0.34 -2.42 -0.05 0.00 -0.02 0.00 0.00 39.34 37.19 1a6v n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a6v n ALA 35 N -4.47 0.05 -2.46 -0.72 0.00 -1.26 -3.62 120.51 108.03 1a6v n ALA 35 Ca -0.15 0.48 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 1a6v n ALA 35 Cb 0.53 -2.18 -0.12 0.00 0.00 0.00 0.00 19.45 17.67 1a6v n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1a6v s ASN 36 N 0.57 3.76 -0.08 0.00 0.01 -0.07 -1.26 114.94 117.87 1a6v s ASN 36 Ca 0.80 -0.52 0.02 0.00 -0.71 0.00 0.00 52.86 52.44 1a6v s ASN 36 Cb -0.82 -0.53 0.02 0.00 0.41 0.00 0.00 41.25 40.33 1a6v s ASN 36 CO 0.44 0.22 -0.11 0.26 -1.51 0.00 0.00 177.10 176.40 1a6v s TRP 37 N -1.02 1.47 -0.00 2.20 0.52 -0.18 -0.71 118.94 121.20 1a6v s TRP 37 Ca 0.16 -0.60 0.04 0.00 0.02 0.00 0.00 56.10 55.72 1a6v s TRP 37 Cb -0.10 -1.11 -0.01 0.00 -1.15 0.00 0.00 33.47 31.09 1a6v s TRP 37 CO 0.07 -0.34 -0.12 0.08 0.02 0.00 0.00 176.95 176.66 1a6v s VAL 38 N 0.93 0.92 -0.07 4.03 1.01 0.59 -1.16 120.40 126.66 1a6v s VAL 38 Ca -0.09 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1a6v s VAL 38 Cb -0.15 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1a6v s VAL 38 CO 0.00 0.23 0.02 -1.58 0.00 0.00 0.00 175.10 173.77 1a6v s GLN 39 N -0.37 3.00 -0.27 2.72 0.74 -0.18 -0.98 119.66 124.33 1a6v s GLN 39 Ca 0.04 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.06 1a6v s GLN 39 Cb -0.05 -2.82 0.06 0.00 1.10 0.00 0.00 33.01 31.31 1a6v s GLN 39 CO -0.00 0.69 -0.08 -2.00 -0.55 0.00 0.00 175.29 173.35 1a6v s GLU 40 N -1.06 2.21 0.11 1.67 2.12 -0.34 -1.04 118.70 122.37 1a6v s GLU 40 Ca 0.15 -1.38 0.03 0.00 0.36 0.00 0.00 54.97 54.13 1a6v s GLU 40 Cb -0.11 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 1a6v s GLU 40 CO 0.05 -0.61 0.13 0.15 -0.54 0.00 0.00 175.26 174.44 1a6v s LYS 41 N 1.11 3.01 -0.02 4.30 -0.14 0.14 -2.44 119.74 125.71 1a6v s LYS 41 Ca -0.07 -0.71 -0.01 0.00 -1.36 0.00 0.00 55.97 53.82 1a6v s LYS 41 Cb -0.20 -2.76 -0.01 0.00 -1.68 0.00 0.00 37.83 33.18 1a6v s LYS 41 CO -0.05 0.54 0.06 -2.30 -0.76 0.00 0.00 175.35 172.84 1a6v n PRO 42 N 0.07 0.00 -2.33 -1.68 -0.02 -1.26 -1.20 135.00 128.58 1a6v n PRO 42 Ca -0.08 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.33 1a6v n PRO 42 Cb 0.53 -0.05 0.03 0.00 -0.02 0.00 0.00 33.50 34.00 1a6v n PRO 42 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1a6v n ASP 43 N 0.17 -4.20 -2.96 2.55 9.92 -1.26 -4.38 116.55 116.39 1a6v n ASP 43 Ca 0.01 -0.34 -0.17 0.00 -0.53 0.00 0.00 54.79 53.76 1a6v n ASP 43 Cb -0.00 -2.74 0.01 0.00 -0.64 0.00 0.00 41.12 37.74 1a6v n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a6v n HIS 44 N -2.32 -1.28 -3.83 1.24 1.44 -1.01 -4.94 115.22 104.51 1a6v n HIS 44 Ca -0.03 0.53 -0.36 0.00 -2.01 0.00 0.00 57.72 55.85 1a6v n HIS 44 Cb 0.56 -1.36 -0.12 0.00 0.12 0.00 0.00 29.99 29.19 1a6v n HIS 44 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1a6v s LEU 45 N -2.89 4.74 -0.18 2.39 1.02 -0.34 -4.93 118.68 118.49 1a6v s LEU 45 Ca 0.08 -1.73 -0.08 0.00 0.02 0.00 0.00 54.13 52.41 1a6v s LEU 45 Cb -0.01 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 1a6v s LEU 45 CO 0.51 -0.43 0.10 -0.36 0.02 0.00 0.00 176.35 176.19 1a6v s PHE 46 N 1.18 3.37 0.03 0.29 0.08 -1.26 0.29 117.98 121.96 1a6v s PHE 46 Ca 0.03 0.26 0.06 0.00 0.12 0.00 0.00 56.93 57.41 1a6v s PHE 46 Cb -0.21 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.13 1a6v s PHE 46 CO -0.03 0.32 -0.19 0.99 -0.10 0.00 0.00 175.22 176.21 1a6v s THR 47 N 0.10 1.49 -0.14 0.64 2.01 -0.20 -4.98 115.64 114.55 1a6v s THR 47 Ca 0.07 -1.06 -0.15 0.00 0.31 0.00 0.00 61.69 60.87 1a6v s THR 47 Cb -0.12 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 1a6v s THR 47 CO -0.00 0.20 0.34 -0.83 -0.69 0.00 0.00 174.62 173.64 1a6v s GLY 48 N -1.00 2.27 -0.16 4.40 0.00 -1.26 -1.01 107.32 110.56 1a6v s GLY 48 Ca 0.06 -0.38 -0.08 0.00 0.00 0.00 0.00 44.72 44.32 1a6v s GLY 48 CO 0.01 0.48 -0.21 1.04 0.00 0.00 0.00 173.10 174.41 1a6v n LEU 49 N 3.45 1.19 -3.96 0.66 4.77 -0.31 -4.75 117.00 118.04 1a6v n LEU 49 Ca -0.11 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1a6v n LEU 49 Cb 0.52 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 40.99 1a6v n LEU 49 CO 0.40 0.29 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.74 1a6v s ILE 50 N -2.32 0.22 0.08 -0.08 1.01 -1.09 -2.16 121.20 116.87 1a6v s ILE 50 Ca -0.23 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 59.82 1a6v s ILE 50 Cb 0.08 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 1a6v s ILE 50 CO 0.29 -0.22 0.09 -0.83 0.00 0.00 0.00 174.94 174.27 1a6v s GLY 51 N -0.81 0.40 -1.48 6.18 0.00 -0.34 -1.02 107.32 110.25 1a6v s GLY 51 Ca -0.07 -1.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.53 1a6v s GLY 51 CO -0.00 -1.10 0.88 0.61 0.00 0.00 0.00 173.10 173.49 1a6v n GLY 52 N -0.01 -0.51 4.96 0.20 0.00 -1.11 -0.64 105.19 108.09 1a6v n GLY 52 Ca -0.13 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1a6v n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a6v n THR 53 N -4.58 0.00 -1.93 2.61 -1.04 -0.39 -4.21 114.28 104.74 1a6v n THR 53 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1a6v n THR 53 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 1a6v n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1a6v n ASN 54 N 2.78 0.00 -4.53 8.00 0.23 -1.20 -3.51 115.26 117.03 1a6v n ASN 54 Ca 0.00 -1.81 -0.43 0.00 -0.53 0.00 0.00 54.58 51.81 1a6v n ASN 54 Cb 0.00 -0.16 -0.06 0.00 -2.08 0.00 0.00 39.78 37.48 1a6v n ASN 54 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1a6v s ASN 55 N -0.81 6.37 0.29 0.53 0.01 0.19 -4.71 114.94 116.80 1a6v s ASN 55 Ca 0.00 -0.23 -0.29 0.00 -0.71 0.00 0.00 52.86 51.63 1a6v s ASN 55 Cb 0.00 -2.35 -0.10 0.00 0.41 0.00 0.00 41.25 39.21 1a6v s ASN 55 CO 0.00 -0.85 1.14 -0.60 -1.51 0.00 0.00 177.10 175.28 1a6v s ARG 56 N 3.05 4.59 -0.03 -0.60 3.52 -1.26 -1.20 118.95 127.02 1a6v s ARG 56 Ca 0.26 1.88 -0.24 0.00 -0.13 0.00 0.00 55.73 57.50 1a6v s ARG 56 Cb -0.13 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1a6v s ARG 56 CO 0.21 0.14 0.72 0.00 -0.81 0.00 0.00 175.30 175.56 1a6v s ALA 57 N -1.16 3.35 0.54 6.12 0.00 -0.92 -4.96 121.76 124.73 1a6v s ALA 57 Ca 0.45 0.18 -0.22 0.00 0.00 0.00 0.00 51.96 52.37 1a6v s ALA 57 Cb -0.33 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1a6v s ALA 57 CO 0.43 -0.04 1.34 -2.30 0.00 0.00 0.00 175.76 175.19 1a6v n PRO 58 N 3.43 1.71 0.00 0.00 -0.02 -1.26 -2.81 135.00 136.05 1a6v n PRO 58 Ca -0.02 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1a6v n PRO 58 Cb 0.51 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1a6v n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a6v n GLY 59 N 0.77 2.94 3.70 -1.23 0.00 -1.26 -5.03 105.19 105.08 1a6v n GLY 59 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1a6v n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a6v s VAL 60 N -2.59 4.83 0.05 1.61 1.01 -1.12 -4.97 120.40 119.21 1a6v s VAL 60 Ca 0.00 2.04 -0.31 0.00 0.00 0.00 0.00 61.98 63.72 1a6v s VAL 60 Cb 0.00 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 1a6v s VAL 60 CO 0.00 0.09 1.94 -0.81 0.00 0.00 0.00 175.10 176.32 1a6v n PRO 61 N 4.42 2.81 0.00 2.72 -0.04 -1.26 -4.82 135.00 138.82 1a6v n PRO 61 Ca 0.07 1.03 0.00 0.00 -0.04 0.00 0.00 63.50 64.56 1a6v n PRO 61 Cb 0.50 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1a6v n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6v n ALA 62 N 7.05 0.00 1.05 0.55 0.00 -1.26 -2.61 120.51 125.30 1a6v n ALA 62 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.73 1a6v n ALA 62 Cb 0.39 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.35 1a6v n ALA 62 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1a6v n ARG 63 N -0.88 0.49 -4.38 0.00 1.85 -1.26 -4.62 116.66 107.86 1a6v n ARG 63 Ca 0.00 0.03 -0.34 0.00 -1.00 0.00 0.00 57.85 56.54 1a6v n ARG 63 Cb 0.39 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.16 1a6v n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1a6v s PHE 64 N -2.12 2.93 -0.12 2.89 0.40 -1.07 -2.43 117.98 118.46 1a6v s PHE 64 Ca 0.25 -0.60 -0.15 0.00 -0.60 0.00 0.00 56.93 55.82 1a6v s PHE 64 Cb 0.12 -1.97 0.04 0.00 0.51 0.00 0.00 43.02 41.72 1a6v s PHE 64 CO 0.22 -0.25 0.41 -1.54 0.70 0.00 0.00 175.22 174.76 1a6v s SER 65 N 0.70 -0.40 0.18 1.36 1.04 -1.02 -4.98 113.70 110.58 1a6v s SER 65 Ca -0.03 0.69 0.06 0.00 0.48 0.00 0.00 55.95 57.14 1a6v s SER 65 Cb -0.15 0.73 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1a6v s SER 65 CO 0.02 -0.23 0.11 -0.83 0.98 0.00 0.00 173.24 173.29 1a6v s GLY 66 N -0.16 1.68 0.10 7.32 0.00 -1.26 -0.55 107.32 114.46 1a6v s GLY 66 Ca -0.03 -1.28 -0.26 0.00 0.00 0.00 0.00 44.72 43.15 1a6v s GLY 66 CO 0.02 -1.30 1.11 -1.35 0.00 0.00 0.00 173.10 171.58 1a6v s SER 67 N -3.18 -0.05 -0.26 1.64 1.04 -0.84 -4.57 113.70 107.49 1a6v s SER 67 Ca 0.30 -0.42 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 1a6v s SER 67 Cb -0.10 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.42 1a6v s SER 67 CO 0.22 -0.71 -0.04 -0.76 0.98 0.00 0.00 173.24 172.93 1a6v s LEU 68 N -3.28 3.29 -0.41 2.42 1.43 -1.26 -0.93 118.68 119.93 1a6v s LEU 68 Ca 0.19 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1a6v s LEU 68 Cb -0.00 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.63 1a6v s LEU 68 CO 0.02 -0.14 0.22 -0.63 0.23 0.00 0.00 176.35 176.05 1a6v s ILE 69 N 1.34 3.48 0.00 -0.59 1.01 0.43 -4.98 121.20 121.89 1a6v s ILE 69 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 58.73 1a6v s ILE 69 Cb -0.17 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1a6v s ILE 69 CO -0.04 -0.65 0.00 0.61 0.00 0.00 0.00 174.94 174.86 1a6v n GLY 70 N 4.67 1.29 1.09 6.18 0.00 -1.26 -1.42 105.19 115.74 1a6v n GLY 70 Ca -0.04 0.37 0.12 0.00 0.00 0.00 0.00 46.02 46.47 1a6v n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a6v n ASN 71 N 11.71 3.31 -4.38 1.61 6.94 -1.26 -4.87 115.26 128.33 1a6v n ASN 71 Ca 0.00 -1.99 -0.21 0.00 -0.02 0.00 0.00 54.58 52.36 1a6v n ASN 71 Cb 0.00 -0.17 -0.10 0.00 -2.36 0.00 0.00 39.78 37.15 1a6v n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1a6v s LYS 72 N -1.66 1.42 0.12 -3.83 1.02 -0.51 -0.93 119.74 115.37 1a6v s LYS 72 Ca 0.35 -1.59 -0.19 0.00 0.02 0.00 0.00 55.97 54.56 1a6v s LYS 72 Cb 0.22 -1.37 -0.07 0.00 -0.52 0.00 0.00 37.83 36.08 1a6v s LYS 72 CO 0.31 0.25 0.62 0.00 -0.92 0.00 0.00 175.35 175.61 1a6v s ALA 73 N -2.57 3.54 0.01 5.17 0.00 -0.92 -0.43 121.76 126.56 1a6v s ALA 73 Ca 0.23 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 1a6v s ALA 73 Cb -0.03 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 1a6v s ALA 73 CO 0.09 0.38 -0.02 0.00 0.00 0.00 0.00 175.76 176.22 1a6v s ALA 74 N -1.25 0.07 -0.23 0.00 0.00 -0.11 -1.39 121.76 118.85 1a6v s ALA 74 Ca 0.34 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 1a6v s ALA 74 Cb -0.19 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1a6v s ALA 74 CO 0.20 -0.12 -0.11 -1.17 0.00 0.00 0.00 175.76 174.56 1a6v s LEU 75 N -1.03 2.86 -0.13 0.00 2.96 -0.64 -1.98 118.68 120.72 1a6v s LEU 75 Ca -0.11 -0.85 -0.04 0.00 -0.22 0.00 0.00 54.13 52.90 1a6v s LEU 75 Cb -0.07 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1a6v s LEU 75 CO -0.01 -0.09 0.02 -0.89 -1.32 0.00 0.00 176.35 174.07 1a6v s THR 76 N 1.29 4.45 -0.56 3.68 2.01 0.29 -1.41 115.64 125.39 1a6v s THR 76 Ca 0.01 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1a6v s THR 76 Cb -0.16 -2.93 0.14 0.00 0.01 0.00 0.00 72.50 69.56 1a6v s THR 76 CO -0.07 0.54 0.33 -0.63 -0.69 0.00 0.00 174.62 174.10 1a6v s ILE 77 N -0.30 2.99 -1.20 1.82 1.01 0.09 -2.42 121.20 123.18 1a6v s ILE 77 Ca 0.07 -3.23 -0.17 0.00 0.00 0.00 0.00 60.65 57.32 1a6v s ILE 77 Cb -0.12 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 1a6v s ILE 77 CO 0.02 -0.83 2.08 0.41 0.00 0.00 0.00 174.94 176.62 1a6v n THR 78 N 3.20 2.87 0.00 2.92 -1.04 -1.02 -1.88 114.28 119.33 1a6v n THR 78 Ca 0.06 -2.56 0.00 0.00 -2.04 0.00 0.00 64.05 59.51 1a6v n THR 78 Cb 0.34 -2.48 0.00 0.00 -1.82 0.00 0.00 70.33 66.37 1a6v n THR 78 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a6v n GLY 79 N 4.40 0.93 3.45 3.41 0.00 -1.26 -4.91 105.19 111.22 1a6v n GLY 79 Ca 0.51 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.97 1a6v n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6v n ALA 80 N 0.00 0.48 -2.90 4.61 0.00 -1.05 -4.13 120.51 117.52 1a6v n ALA 80 Ca 0.00 0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1a6v n ALA 80 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.11 1a6v n ALA 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1a6v s GLN 81 N 5.52 3.42 0.00 0.00 2.00 -1.26 -2.99 119.66 126.35 1a6v s GLN 81 Ca 1.10 -0.74 0.05 0.00 -2.00 0.00 0.00 55.36 53.77 1a6v s GLN 81 Cb -1.12 -2.86 0.23 0.00 0.80 0.00 0.00 33.01 30.05 1a6v s GLN 81 CO 0.59 0.38 0.99 0.25 -0.50 0.00 0.00 175.29 176.99 1a6v n THR 82 N -1.46 1.02 0.04 -0.34 -2.24 -1.26 0.98 114.28 111.01 1a6v n THR 82 Ca -0.08 0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.82 1a6v n THR 82 Cb 0.57 -1.18 -0.14 0.00 -2.10 0.00 0.00 70.33 67.48 1a6v n THR 82 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1a6v h GLU 83 N 0.00 0.16 0.00 -0.78 4.81 -1.93 -3.30 114.58 113.54 1a6v h GLU 83 Ca 0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1a6v h GLU 83 Cb 0.04 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1a6v h GLU 83 CO 0.00 0.96 0.00 -0.25 -0.73 0.00 0.00 179.01 178.99 1a6v n ASP 84 N -3.34 0.00 -4.66 1.04 8.00 0.27 -4.79 116.55 113.07 1a6v n ASP 84 Ca -0.16 -1.21 -0.43 0.00 0.71 0.00 0.00 54.79 53.71 1a6v n ASP 84 Cb 1.03 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 42.11 1a6v n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1a6v s GLU 85 N -2.00 4.28 0.00 -1.24 2.12 -1.19 -4.93 118.70 115.74 1a6v s GLU 85 Ca 0.25 1.42 0.00 0.00 0.36 0.00 0.00 54.97 57.01 1a6v s GLU 85 Cb 0.12 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1a6v s GLU 85 CO 0.19 -0.60 0.00 0.00 -0.54 0.00 0.00 175.26 174.32 1a6v n ALA 86 N 6.16 0.00 -2.78 6.30 0.00 -1.19 -4.84 120.51 124.15 1a6v n ALA 86 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 1a6v n ALA 86 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 1a6v n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a6v s ILE 87 N -2.94 5.41 -0.17 0.00 1.01 -1.02 -1.15 121.20 122.34 1a6v s ILE 87 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.97 1a6v s ILE 87 Cb 0.00 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 39.02 1a6v s ILE 87 CO 0.00 0.55 -0.14 -0.31 0.00 0.00 0.00 174.94 175.04 1a6v s TYR 88 N -0.53 2.38 -0.14 3.97 1.51 -0.06 -1.20 117.35 123.28 1a6v s TYR 88 Ca 0.14 -1.45 -0.04 0.00 -1.01 0.00 0.00 57.07 54.71 1a6v s TYR 88 Cb -0.12 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1a6v s TYR 88 CO 0.04 -0.72 -0.00 -0.06 -1.11 0.00 0.00 175.55 173.69 1a6v s PHE 89 N 1.41 3.12 0.13 2.71 0.08 -0.15 -0.91 117.98 124.37 1a6v s PHE 89 Ca 0.02 -0.07 0.04 0.00 0.12 0.00 0.00 56.93 57.05 1a6v s PHE 89 Cb -0.14 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 1a6v s PHE 89 CO -0.10 0.16 0.13 0.00 -0.10 0.00 0.00 175.22 175.30 1a6v s ALA 91 N -1.61 0.85 -0.05 0.00 0.00 0.11 -0.83 121.76 120.24 1a6v s ALA 91 Ca 0.31 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.15 1a6v s ALA 91 Cb -0.11 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1a6v s ALA 91 CO 0.23 -0.05 -0.23 -0.51 0.00 0.00 0.00 175.76 175.20 1a6v s LEU 92 N 1.01 2.02 -0.15 0.00 1.43 -0.39 -0.89 118.68 121.71 1a6v s LEU 92 Ca -0.09 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.32 1a6v s LEU 92 Cb -0.14 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 1a6v s LEU 92 CO -0.00 0.23 0.71 0.86 0.23 0.00 0.00 176.35 178.38 1a6v s TRP 93 N -0.18 3.46 -0.60 0.29 -0.11 0.39 -2.02 118.94 120.16 1a6v s TRP 93 Ca -0.01 1.13 0.04 0.00 1.22 0.00 0.00 56.10 58.48 1a6v s TRP 93 Cb -0.12 -2.87 0.37 0.00 -1.50 0.00 0.00 33.47 29.35 1a6v s TRP 93 CO 0.02 -0.11 1.19 0.66 -4.62 0.00 0.00 176.95 174.09 1a6v n TYR 94 N 4.68 3.62 -0.11 5.86 4.01 0.26 -4.24 117.16 131.25 1a6v n TYR 94 Ca 0.00 -3.41 0.00 0.00 -0.16 0.00 0.00 57.90 54.34 1a6v n TYR 94 Cb 0.50 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1a6v n TYR 94 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a6v n SER 95 N -0.33 0.00 0.00 7.72 2.88 -1.26 -3.90 113.62 118.73 1a6v n SER 95 Ca 0.37 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1a6v n SER 95 Cb 0.46 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1a6v n SER 95 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1a6v n ASN 96 N 0.00 0.00 -3.63 -3.46 2.04 -1.26 -5.15 115.26 103.80 1a6v n ASN 96 Ca 0.00 -0.66 -0.05 0.00 -0.44 0.00 0.00 54.58 53.43 1a6v n ASN 96 Cb 0.00 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.23 1a6v n ASN 96 CO 0.00 0.00 0.00 -1.38 -0.44 0.00 0.00 177.26 175.44 1a6v s HIS 97 N 0.00 -0.21 -0.11 -2.53 -3.43 -1.25 -5.15 115.29 102.61 1a6v s HIS 97 Ca 0.00 0.01 -0.03 0.00 -0.80 0.00 0.00 55.06 54.24 1a6v s HIS 97 Cb 0.00 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.70 1a6v s HIS 97 CO 0.00 -0.63 0.03 -1.58 -2.00 0.00 0.00 174.74 170.57 1a6v s TRP 98 N -3.09 3.24 -0.06 0.38 0.52 -1.26 0.93 118.94 119.60 1a6v s TRP 98 Ca 0.09 0.22 0.02 0.00 0.02 0.00 0.00 56.10 56.45 1a6v s TRP 98 Cb -0.01 -1.85 0.01 0.00 -1.15 0.00 0.00 33.47 30.47 1a6v s TRP 98 CO -0.03 0.46 -0.11 0.08 0.02 0.00 0.00 176.95 177.37 1a6v s VAL 99 N -0.72 1.02 -0.01 4.03 1.01 -0.86 -4.98 120.40 119.90 1a6v s VAL 99 Ca 0.12 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1a6v s VAL 99 Cb -0.12 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1a6v s VAL 99 CO 0.02 0.33 0.11 -0.36 0.00 0.00 0.00 175.10 175.20 1a6v s PHE 100 N 0.65 3.37 0.70 5.22 0.40 -1.26 -1.27 117.98 125.78 1a6v s PHE 100 Ca -0.13 0.25 -0.10 0.00 -0.60 0.00 0.00 56.93 56.35 1a6v s PHE 100 Cb -0.15 -1.76 0.03 0.00 0.51 0.00 0.00 43.02 41.64 1a6v s PHE 100 CO 0.03 0.58 1.07 0.20 0.70 0.00 0.00 175.22 177.80 1a6v s GLY 101 N -1.80 1.62 0.00 4.36 0.00 -0.01 -4.67 107.32 106.82 1a6v s GLY 101 Ca 0.24 -0.50 0.06 0.00 0.00 0.00 0.00 44.72 44.53 1a6v s GLY 101 CO 0.15 -0.12 1.20 0.61 0.00 0.00 0.00 173.10 174.94 1a6v n GLY 102 N -2.97 -0.71 0.00 0.20 0.00 -1.26 -4.66 105.19 95.79 1a6v n GLY 102 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1a6v n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a6v n GLY 103 N -0.85 -0.61 3.05 -0.02 0.00 -1.26 -5.01 105.19 100.49 1a6v n GLY 103 Ca 0.02 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 1a6v n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6v s THR 104 N -3.06 1.82 -0.17 2.61 2.01 -0.09 -4.52 115.64 114.23 1a6v s THR 104 Ca 0.00 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 60.76 1a6v s THR 104 Cb 0.00 -1.76 -0.00 0.00 0.01 0.00 0.00 72.50 70.74 1a6v s THR 104 CO 0.00 0.34 0.98 -0.54 -0.69 0.00 0.00 174.62 174.71 1a6v s LYS 105 N 1.35 4.32 -0.21 4.92 1.02 -0.86 -0.88 119.74 129.40 1a6v s LYS 105 Ca 0.01 1.29 -0.03 0.00 0.02 0.00 0.00 55.97 57.26 1a6v s LYS 105 Cb -0.15 -3.59 -0.00 0.00 -0.52 0.00 0.00 37.83 33.57 1a6v s LYS 105 CO -0.10 -0.45 -0.08 -1.17 -0.92 0.00 0.00 175.35 172.63 1a6v s LEU 106 N 2.55 2.74 -0.29 3.17 2.96 -0.30 -1.08 118.68 128.43 1a6v s LEU 106 Ca 0.44 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.81 1a6v s LEU 106 Cb -0.16 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1a6v s LEU 106 CO 0.12 -0.01 0.19 -0.89 -1.32 0.00 0.00 176.35 174.43 1a6v s THR 107 N 1.39 5.13 -0.91 3.68 2.01 0.40 -3.16 115.64 124.17 1a6v s THR 107 Ca 0.05 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 61.95 1a6v s THR 107 Cb -0.14 -3.50 0.23 0.00 0.01 0.00 0.00 72.50 69.10 1a6v s THR 107 CO -0.05 0.18 0.85 -0.69 -0.69 0.00 0.00 174.62 174.23 1a6v s VAL 108 N 1.72 5.37 -0.14 3.82 1.01 -1.26 -2.42 120.40 128.50 1a6v s VAL 108 Ca 0.07 -3.05 0.00 0.00 0.00 0.00 0.00 61.98 59.00 1a6v s VAL 108 Cb -0.16 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1a6v s VAL 108 CO 0.10 -1.07 0.03 0.18 0.00 0.00 0.00 175.10 174.34