#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 s GLU 2 N 0.00 4.40 0.24 0.03 2.02 -1.26 -4.96 118.70 119.16 1s72 s GLU 2 Ca 0.00 1.64 -0.31 0.00 0.02 0.00 0.00 54.97 56.32 1s72 s GLU 2 Cb 0.00 -2.85 -0.14 0.00 0.10 0.00 0.00 34.13 31.24 1s72 s GLU 2 CO 0.00 0.04 1.35 0.00 0.02 0.00 0.00 175.26 176.67 1s72 n ALA 3 N 0.54 0.82 0.14 5.21 0.00 -1.26 -4.85 120.51 121.12 1s72 n ALA 3 Ca 0.02 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.87 1s72 n ALA 3 Cb 0.47 -2.23 0.23 0.00 0.00 0.00 0.00 19.45 17.92 1s72 n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1s72 h LEU 4 N 3.93 0.04 -0.38 0.00 3.38 -1.93 -3.47 115.31 116.89 1s72 h LEU 4 Ca -0.45 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1s72 h LEU 4 Cb 1.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1s72 h LEU 4 CO 0.74 0.56 0.00 0.61 0.09 0.00 0.00 178.44 180.44 1s72 n GLY 5 N -0.00 0.70 3.64 0.83 0.00 -1.26 -4.69 105.19 104.40 1s72 n GLY 5 Ca -0.01 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 1s72 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 s ALA 6 N -2.38 -2.11 -0.06 4.61 0.00 -1.26 -4.48 121.76 116.08 1s72 s ALA 6 Ca 0.00 1.76 -0.20 0.00 0.00 0.00 0.00 51.96 53.51 1s72 s ALA 6 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1s72 s ALA 6 CO 0.00 -0.18 0.58 -0.51 0.00 0.00 0.00 175.76 175.65 1s72 s ASP 7 N -0.18 6.87 -0.03 0.00 1.01 -0.15 -4.92 116.67 119.27 1s72 s ASP 7 Ca 0.05 1.04 0.07 0.00 0.71 0.00 0.00 52.55 54.42 1s72 s ASP 7 Cb -0.04 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 1s72 s ASP 7 CO -0.10 0.01 -0.22 -0.69 0.21 0.00 0.00 175.17 174.37 1s72 s VAL 8 N 0.38 2.39 -0.43 -1.27 1.01 -1.26 -0.68 120.40 120.54 1s72 s VAL 8 Ca 0.31 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1s72 s VAL 8 Cb -0.17 -1.88 0.08 0.00 0.00 0.00 0.00 36.38 34.42 1s72 s VAL 8 CO 0.15 0.57 0.28 -0.89 0.00 0.00 0.00 175.10 175.21 1s72 s THR 9 N -0.66 4.32 0.09 3.92 2.01 -1.25 -5.04 115.64 119.02 1s72 s THR 9 Ca 0.11 -1.42 -0.36 0.00 0.31 0.00 0.00 61.69 60.32 1s72 s THR 9 Cb -0.10 -3.67 -0.16 0.00 0.01 0.00 0.00 72.50 68.58 1s72 s THR 9 CO -0.00 -0.55 1.45 0.00 -0.69 0.00 0.00 174.62 174.82 1s72 n GLN 10 N 4.94 1.49 -0.06 4.92 3.00 -1.26 -4.81 117.38 125.60 1s72 n GLN 10 Ca -0.10 0.54 0.05 0.00 -0.01 0.00 0.00 57.00 57.48 1s72 n GLN 10 Cb 0.43 -2.23 0.08 0.00 0.00 0.00 0.00 30.24 28.52 1s72 n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1s72 n GLY 11 N 2.93 0.76 3.43 1.08 0.00 -1.18 -4.89 105.19 107.32 1s72 n GLY 11 Ca 0.18 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1s72 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s72 s LEU 12 N -0.88 2.58 0.24 0.99 1.43 0.14 -4.93 118.68 118.25 1s72 s LEU 12 Ca 0.15 -1.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 1s72 s LEU 12 Cb 0.09 -0.95 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 1s72 s LEU 12 CO 0.13 -0.04 0.10 -1.61 0.23 0.00 0.00 176.35 175.17 1s72 s GLU 13 N -3.56 1.36 0.17 1.70 2.02 -1.26 -1.02 118.70 118.10 1s72 s GLU 13 Ca 0.27 -1.73 -0.32 0.00 0.02 0.00 0.00 54.97 53.22 1s72 s GLU 13 Cb -0.03 -0.13 -0.11 0.00 0.10 0.00 0.00 34.13 33.96 1s72 s GLU 13 CO 0.12 -0.32 1.73 0.21 0.02 0.00 0.00 175.26 177.02 1s72 s LYS 14 N -4.07 4.15 0.00 1.61 2.20 -0.42 -1.45 119.74 121.76 1s72 s LYS 14 Ca 0.38 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 1s72 s LYS 14 Cb 0.08 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1s72 s LYS 14 CO 0.13 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 1s72 n GLY 15 N 4.03 1.57 3.76 5.54 0.00 0.93 -4.96 105.19 116.05 1s72 n GLY 15 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1s72 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s72 s SER 16 N -1.56 5.52 -0.21 1.61 0.01 -0.53 -4.65 113.70 113.89 1s72 s SER 16 Ca 0.00 2.46 -0.07 0.00 1.31 0.00 0.00 55.95 59.65 1s72 s SER 16 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1s72 s SER 16 CO 0.00 -1.38 0.06 -0.76 0.41 0.00 0.00 173.24 171.58 1s72 s LEU 17 N -3.61 3.62 0.16 2.44 1.43 -1.26 -1.10 118.68 120.36 1s72 s LEU 17 Ca 0.72 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1s72 s LEU 17 Cb -0.32 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 1s72 s LEU 17 CO 0.37 0.08 -0.05 0.27 0.23 0.00 0.00 176.35 177.25 1s72 s ILE 18 N 0.92 0.94 0.28 -0.59 -4.36 0.51 -4.97 121.20 113.93 1s72 s ILE 18 Ca 0.04 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.12 1s72 s ILE 18 Cb -0.14 -1.96 -0.09 0.00 1.25 0.00 0.00 42.46 41.52 1s72 s ILE 18 CO 0.03 -0.64 1.05 -0.89 0.24 0.00 0.00 174.94 174.73 1s72 s THR 19 N -3.48 3.67 -0.57 8.37 2.01 -0.64 -0.42 115.64 124.57 1s72 s THR 19 Ca 0.19 1.64 -0.18 0.00 0.31 0.00 0.00 61.69 63.66 1s72 s THR 19 Cb 0.04 -4.03 0.11 0.00 0.01 0.00 0.00 72.50 68.63 1s72 s THR 19 CO 0.02 0.36 0.64 0.00 -0.69 0.00 0.00 174.62 174.95 1s72 n ALA 21 N 6.03 6.76 -3.55 0.00 0.00 -0.16 -4.81 120.51 124.77 1s72 n ALA 21 Ca -0.11 -2.77 -0.02 0.00 0.00 0.00 0.00 53.44 50.55 1s72 n ALA 21 Cb 0.42 -2.99 0.01 0.00 0.00 0.00 0.00 19.45 16.89 1s72 n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1s72 n ASP 22 N 3.31 -1.38 -1.95 0.00 5.68 -1.26 -1.87 116.55 119.07 1s72 n ASP 22 Ca 0.63 -2.08 -0.24 0.00 -0.50 0.00 0.00 54.79 52.60 1s72 n ASP 22 Cb 0.42 2.34 0.08 0.00 -1.14 0.00 0.00 41.12 42.82 1s72 n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1s72 n ASN 23 N -1.43 5.30 0.18 -1.12 6.94 -0.99 -4.66 115.26 119.47 1s72 n ASN 23 Ca -0.05 -3.77 0.13 0.00 -0.02 0.00 0.00 54.58 50.88 1s72 n ASN 23 Cb 0.39 -0.61 0.38 0.00 -2.36 0.00 0.00 39.78 37.57 1s72 n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1s72 h THR 24 N 1.55 0.00 0.00 5.53 1.35 -1.93 -3.44 112.91 115.98 1s72 h THR 24 Ca 0.42 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1s72 h THR 24 Cb 1.36 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1s72 h THR 24 CO 0.96 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 1s72 n GLY 25 N 0.85 0.65 3.64 5.82 0.00 -1.26 -5.00 105.19 109.89 1s72 n GLY 25 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1s72 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 s ALA 26 N -2.00 3.54 -0.25 4.61 0.00 -1.26 -1.03 121.76 125.36 1s72 s ALA 26 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 1s72 s ALA 26 Cb 0.00 -2.20 -0.15 0.00 0.00 0.00 0.00 23.12 20.77 1s72 s ALA 26 CO 0.00 -0.10 -0.16 0.54 0.00 0.00 0.00 175.76 176.03 1s72 n ARG 27 N 4.10 0.60 -5.08 0.00 1.74 0.17 -4.56 116.66 113.64 1s72 n ARG 27 Ca -0.16 0.33 -0.32 0.00 -0.77 0.00 0.00 57.85 56.93 1s72 n ARG 27 Cb 0.52 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 30.24 1s72 n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1s72 s GLU 28 N -2.48 2.74 0.01 5.56 2.12 -1.04 -1.02 118.70 124.59 1s72 s GLU 28 Ca -0.35 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.25 1s72 s GLU 28 Cb 0.12 -2.32 -0.03 0.00 0.26 0.00 0.00 34.13 32.16 1s72 s GLU 28 CO 0.54 0.39 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.91 1s72 s LEU 29 N -0.16 2.29 -0.21 2.70 1.43 0.43 -1.00 118.68 124.16 1s72 s LEU 29 Ca -0.02 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1s72 s LEU 29 Cb -0.14 -1.38 -0.00 0.00 0.03 0.00 0.00 46.19 44.70 1s72 s LEU 29 CO 0.04 0.29 -0.06 -0.75 0.23 0.00 0.00 176.35 176.09 1s72 s LYS 30 N -1.04 3.33 0.27 1.70 2.20 0.03 -0.36 119.74 125.86 1s72 s LYS 30 Ca 0.12 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 1s72 s LYS 30 Cb -0.10 -2.95 -0.10 0.00 -1.51 0.00 0.00 37.83 33.17 1s72 s LYS 30 CO 0.02 -0.19 1.42 0.08 -0.36 0.00 0.00 175.35 176.31 1s72 s VAL 31 N 1.44 2.65 -0.03 4.02 1.01 -0.26 -1.74 120.40 127.49 1s72 s VAL 31 Ca 0.05 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1s72 s VAL 31 Cb -0.14 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1s72 s VAL 31 CO -0.04 0.10 -0.02 -0.38 0.00 0.00 0.00 175.10 174.75 1s72 n ILE 32 N 2.01 0.16 -3.50 2.22 5.41 -0.56 -0.05 119.36 125.05 1s72 n ILE 32 Ca 0.05 -0.06 -0.11 0.00 1.00 0.00 0.00 62.75 63.63 1s72 n ILE 32 Cb 0.40 -0.60 -0.03 0.00 -0.71 0.00 0.00 39.64 38.70 1s72 n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1s72 s SER 33 N -4.26 -0.46 -0.20 4.38 0.01 -1.15 -4.78 113.70 107.24 1s72 s SER 33 Ca -0.04 -0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.08 1s72 s SER 33 Cb 0.01 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 1s72 s SER 33 CO 0.06 -0.94 -0.08 -0.69 0.41 0.00 0.00 173.24 172.01 1s72 s VAL 34 N -3.77 3.17 0.23 3.43 1.01 -1.26 0.05 120.40 123.25 1s72 s VAL 34 Ca 0.02 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 1s72 s VAL 34 Cb -0.00 -2.41 -0.14 0.00 0.00 0.00 0.00 36.38 33.83 1s72 s VAL 34 CO -0.12 0.46 1.32 1.57 0.00 0.00 0.00 175.10 178.33 1s72 n HIS 35 N 4.53 1.93 -1.40 5.22 -0.00 0.85 -2.07 115.22 124.28 1s72 n HIS 35 Ca -0.19 0.51 -0.14 0.00 0.46 0.00 0.00 57.72 58.37 1s72 n HIS 35 Cb 0.51 -2.40 -0.06 0.00 -0.12 0.00 0.00 29.99 27.92 1s72 n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1s72 n GLY 36 N 1.99 1.33 3.75 1.57 0.00 -1.26 -4.83 105.19 107.74 1s72 n GLY 36 Ca 0.12 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1s72 n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s72 s TYR 37 N -2.22 3.26 -0.06 1.61 5.04 -0.88 -5.09 117.35 119.01 1s72 s TYR 37 Ca 0.00 0.23 -0.02 0.00 -2.44 0.00 0.00 57.07 54.84 1s72 s TYR 37 Cb 0.00 -1.77 0.04 0.00 0.35 0.00 0.00 41.96 40.57 1s72 s TYR 37 CO 0.00 0.54 0.11 -1.54 -1.34 0.00 0.00 175.55 173.32 1s72 s SER 38 N -1.32 0.16 0.00 4.32 1.04 -1.26 -4.93 113.70 111.72 1s72 s SER 38 Ca 0.18 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1s72 s SER 38 Cb -0.12 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1s72 s SER 38 CO 0.08 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1s72 n GLY 39 N 4.46 0.58 3.52 7.32 0.00 -1.26 -5.12 105.19 114.69 1s72 n GLY 39 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1s72 n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s72 s THR 40 N 2.34 0.00 -0.08 2.61 -1.32 -1.26 -5.07 115.64 112.86 1s72 s THR 40 Ca 0.00 -0.20 -0.39 0.00 -1.21 0.00 0.00 61.69 59.89 1s72 s THR 40 Cb 0.00 -1.21 -0.18 0.00 -1.51 0.00 0.00 72.50 69.60 1s72 s THR 40 CO 0.00 0.00 1.40 1.17 -2.21 0.00 0.00 174.62 174.98 1s72 n LYS 41 N -0.38 0.75 0.00 7.08 4.81 -1.26 -0.65 118.16 128.52 1s72 n LYS 41 Ca -0.13 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1s72 n LYS 41 Cb 0.63 -1.87 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1s72 n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1s72 n ASN 42 N 3.08 0.00 -4.69 3.14 3.02 -1.26 -4.99 115.26 113.56 1s72 n ASN 42 Ca 0.22 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 1s72 n ASN 42 Cb 0.12 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 1s72 n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1s72 s ARG 43 N 0.00 4.39 -0.17 3.52 3.52 0.18 -4.99 118.95 125.39 1s72 s ARG 43 Ca 0.00 1.63 -0.29 0.00 -0.13 0.00 0.00 55.73 56.93 1s72 s ARG 43 Cb 0.00 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1s72 s ARG 43 CO 0.00 -0.38 1.25 -0.51 -0.81 0.00 0.00 175.30 174.85 1s72 s LEU 44 N 1.96 4.17 0.12 -0.88 1.43 -1.26 -4.63 118.68 119.59 1s72 s LEU 44 Ca 0.55 1.66 -0.35 0.00 -1.03 0.00 0.00 54.13 54.95 1s72 s LEU 44 Cb -0.24 -3.54 -0.16 0.00 0.03 0.00 0.00 46.19 42.28 1s72 s LEU 44 CO 0.23 -0.77 1.35 -0.81 0.23 0.00 0.00 176.35 176.58 1s72 n PRO 45 N 6.62 1.33 -4.18 1.29 -0.04 -1.26 -4.79 135.00 133.97 1s72 n PRO 45 Ca 0.14 0.48 -0.30 0.00 -0.04 0.00 0.00 63.50 63.78 1s72 n PRO 45 Cb 0.45 -2.12 -0.09 0.00 -0.04 0.00 0.00 33.50 31.70 1s72 n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1s72 s LYS 46 N 0.36 2.33 -0.03 0.54 -2.85 -1.26 -1.31 119.74 117.52 1s72 s LYS 46 Ca 0.81 -0.94 -0.05 0.00 -1.00 0.00 0.00 55.97 54.79 1s72 s LYS 46 Cb -0.88 -2.42 0.01 0.00 -2.06 0.00 0.00 37.83 32.48 1s72 s LYS 46 CO 0.47 0.52 0.12 0.00 0.10 0.00 0.00 175.35 176.55 1s72 s ALA 47 N -1.29 -0.28 0.00 0.59 0.00 -0.19 -4.88 121.76 115.72 1s72 s ALA 47 Ca 0.24 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1s72 s ALA 47 Cb -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1s72 s ALA 47 CO 0.16 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1s72 n GLY 48 N 2.57 3.90 3.56 0.00 0.00 -1.26 -0.68 105.19 113.28 1s72 n GLY 48 Ca -0.15 -1.44 -0.52 0.00 0.00 0.00 0.00 46.02 43.91 1s72 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s72 n LEU 49 N 0.00 1.19 0.00 0.99 4.77 -1.26 -2.03 117.00 120.66 1s72 n LEU 49 Ca 0.00 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1s72 n LEU 49 Cb 0.00 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1s72 n LEU 49 CO 0.00 -1.38 0.00 0.61 -1.33 0.00 0.00 177.39 175.29 1s72 n GLY 50 N 2.14 1.68 3.86 -0.72 0.00 -0.50 -5.00 105.19 106.64 1s72 n GLY 50 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1s72 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s72 s ASP 51 N -3.32 6.72 -0.30 1.61 1.01 -0.86 -4.85 116.67 116.67 1s72 s ASP 51 Ca 0.00 1.23 -0.12 0.00 0.71 0.00 0.00 52.55 54.37 1s72 s ASP 51 Cb 0.00 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1s72 s ASP 51 CO 0.00 -0.23 0.21 -0.75 0.21 0.00 0.00 175.17 174.60 1s72 s LYS 52 N -3.13 3.77 0.18 8.23 2.20 -1.26 -1.92 119.74 127.81 1s72 s LYS 52 Ca 0.53 -0.45 0.10 0.00 -0.36 0.00 0.00 55.97 55.80 1s72 s LYS 52 Cb -0.10 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1s72 s LYS 52 CO 0.20 -0.28 -0.16 0.96 -0.36 0.00 0.00 175.35 175.71 1s72 s ILE 53 N 1.74 2.81 0.15 5.43 -4.36 -0.47 -0.11 121.20 126.39 1s72 s ILE 53 Ca 0.07 -1.79 -0.11 0.00 -0.26 0.00 0.00 60.65 58.56 1s72 s ILE 53 Cb -0.17 -2.36 -0.07 0.00 1.25 0.00 0.00 42.46 41.12 1s72 s ILE 53 CO 0.11 -0.09 0.49 -0.89 0.24 0.00 0.00 174.94 174.80 1s72 s THR 54 N -1.62 4.98 0.18 8.37 2.01 0.11 -1.14 115.64 128.53 1s72 s THR 54 Ca 0.22 0.55 -0.08 0.00 0.31 0.00 0.00 61.69 62.69 1s72 s THR 54 Cb -0.09 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1s72 s THR 54 CO 0.12 0.15 0.29 -0.69 -0.69 0.00 0.00 174.62 173.80 1s72 s VAL 55 N -1.56 0.05 0.04 3.82 1.01 0.20 -1.49 120.40 122.48 1s72 s VAL 55 Ca 0.39 -1.47 0.06 0.00 0.00 0.00 0.00 61.98 60.96 1s72 s VAL 55 Cb -0.13 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1s72 s VAL 55 CO 0.20 -0.23 -0.17 -0.94 0.00 0.00 0.00 175.10 173.96 1s72 s SER 56 N -3.00 2.01 -0.22 3.32 1.04 -0.71 -0.07 113.70 116.07 1s72 s SER 56 Ca 0.20 -0.49 -0.22 0.00 0.48 0.00 0.00 55.95 55.92 1s72 s SER 56 Cb 0.03 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 1s72 s SER 56 CO 0.03 0.08 0.68 -0.69 0.98 0.00 0.00 173.24 174.32 1s72 s VAL 57 N -0.85 4.97 -0.13 5.02 1.01 -0.67 -0.79 120.40 128.95 1s72 s VAL 57 Ca 0.04 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.33 1s72 s VAL 57 Cb -0.08 -3.98 -0.23 0.00 0.00 0.00 0.00 36.38 32.08 1s72 s VAL 57 CO 0.02 0.05 0.31 0.41 0.00 0.00 0.00 175.10 175.88 1s72 n THR 58 N 4.96 1.62 -4.17 3.92 -1.04 -0.17 -1.40 114.28 117.99 1s72 n THR 58 Ca 0.01 -0.72 -0.16 0.00 -2.04 0.00 0.00 64.05 61.14 1s72 n THR 58 Cb 0.49 -1.26 -0.13 0.00 -1.82 0.00 0.00 70.33 67.61 1s72 n THR 58 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1s72 s LYS 59 N -2.55 0.62 0.00 -2.82 1.02 -1.12 -4.89 119.74 109.98 1s72 s LYS 59 Ca -0.17 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1s72 s LYS 59 Cb 0.07 -0.52 0.00 0.00 -0.52 0.00 0.00 37.83 36.87 1s72 s LYS 59 CO 0.77 0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.73 1s72 n GLY 60 N 2.00 0.87 3.76 -3.33 0.00 -1.26 -0.65 105.19 106.58 1s72 n GLY 60 Ca -0.19 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1s72 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s72 s THR 61 N -3.03 2.71 0.28 2.61 -4.23 -0.20 -4.73 115.64 109.05 1s72 s THR 61 Ca 0.00 0.66 -0.06 0.00 -1.18 0.00 0.00 61.69 61.10 1s72 s THR 61 Cb 0.00 -3.42 0.44 0.00 1.34 0.00 0.00 72.50 70.86 1s72 s THR 61 CO 0.00 0.13 1.57 -0.65 -0.54 0.00 0.00 174.62 175.13 1s72 h PRO 62 N 4.08 0.00 -0.59 3.99 0.11 -1.94 0.61 132.00 138.26 1s72 h PRO 62 Ca -0.48 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1s72 h PRO 62 Cb 1.22 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1s72 h PRO 62 CO 0.70 0.00 0.39 0.93 -0.21 0.00 0.00 178.00 179.82 1s72 h GLU 63 N 0.00 0.72 0.13 1.05 4.39 -1.98 -2.72 114.58 116.18 1s72 h GLU 63 Ca 0.49 -0.04 -0.28 0.00 0.34 0.00 0.00 59.36 59.87 1s72 h GLU 63 Cb 0.81 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1s72 h GLU 63 CO -0.99 0.48 -1.31 0.52 -1.16 0.00 0.00 179.01 176.55 1s72 h MET 64 N 0.75 0.27 -6.71 2.33 2.86 -0.24 -3.45 114.93 110.73 1s72 h MET 64 Ca 0.23 -0.46 -0.58 0.00 -2.06 0.00 0.00 59.70 56.83 1s72 h MET 64 Cb -0.01 0.17 0.14 0.00 0.06 0.00 0.00 31.60 31.97 1s72 h MET 64 CO -0.06 1.20 0.18 0.54 1.06 0.00 0.00 176.91 179.83 1s72 n ARG 65 N -3.52 1.29 0.00 1.72 1.74 0.17 -2.36 116.66 115.71 1s72 n ARG 65 Ca -0.10 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1s72 n ARG 65 Cb 1.03 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1s72 n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1s72 n ARG 66 N -0.16 0.00 -2.18 5.56 1.74 -0.49 -4.94 116.66 116.19 1s72 n ARG 66 Ca 0.10 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.79 1s72 n ARG 66 Cb 0.42 -2.64 -0.01 0.00 -1.02 0.00 0.00 32.46 29.20 1s72 n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1s72 s GLN 67 N 0.00 4.01 -0.39 5.56 -0.21 -0.99 -4.69 119.66 122.95 1s72 s GLN 67 Ca 0.00 2.00 -0.11 0.00 0.02 0.00 0.00 55.36 57.26 1s72 s GLN 67 Cb 0.00 -2.72 0.03 0.00 1.00 0.00 0.00 33.01 31.32 1s72 s GLN 67 CO 0.00 -0.40 0.23 0.08 -2.12 0.00 0.00 175.29 173.08 1s72 s VAL 68 N -1.33 4.65 0.42 1.09 1.01 -1.26 -1.68 120.40 123.30 1s72 s VAL 68 Ca 0.57 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1s72 s VAL 68 Cb -0.34 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1s72 s VAL 68 CO 0.44 -0.28 0.05 0.18 0.00 0.00 0.00 175.10 175.49 1s72 n LEU 69 N 5.02 0.00 -4.69 3.92 4.77 0.90 -4.93 117.00 121.98 1s72 n LEU 69 Ca -0.12 -2.80 -0.28 0.00 -0.03 0.00 0.00 56.01 52.78 1s72 n LEU 69 Cb 0.46 0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 42.02 1s72 n LEU 69 CO 0.38 -0.41 -0.32 -0.70 -1.33 0.00 0.00 177.39 175.01 1s72 s GLU 70 N -3.53 2.52 0.31 3.23 2.12 -1.26 0.61 118.70 122.71 1s72 s GLU 70 Ca 0.07 -0.97 -0.16 0.00 0.36 0.00 0.00 54.97 54.27 1s72 s GLU 70 Cb 0.00 -2.46 0.02 0.00 0.26 0.00 0.00 34.13 31.95 1s72 s GLU 70 CO 0.05 0.49 0.67 0.00 -0.54 0.00 0.00 175.26 175.93 1s72 s ALA 71 N -1.57 -0.68 -0.06 6.30 0.00 -0.29 -1.00 121.76 124.46 1s72 s ALA 71 Ca 0.27 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1s72 s ALA 71 Cb -0.10 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1s72 s ALA 71 CO 0.19 -0.96 -0.11 0.08 0.00 0.00 0.00 175.76 174.96 1s72 s VAL 72 N -3.36 1.00 -0.19 0.00 1.01 -0.66 -1.37 120.40 116.83 1s72 s VAL 72 Ca 0.17 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 1s72 s VAL 72 Cb -0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1s72 s VAL 72 CO 0.10 0.32 1.39 -0.69 0.00 0.00 0.00 175.10 176.22 1s72 s VAL 73 N 0.64 4.05 -0.11 2.92 1.01 -0.81 -1.26 120.40 126.85 1s72 s VAL 73 Ca -0.13 1.23 0.18 0.00 0.00 0.00 0.00 61.98 63.27 1s72 s VAL 73 Cb -0.15 -3.91 -0.27 0.00 0.00 0.00 0.00 36.38 32.05 1s72 s VAL 73 CO 0.03 -0.24 0.25 0.52 0.00 0.00 0.00 175.10 175.65 1s72 n VAL 74 N 5.79 0.65 -3.74 2.92 0.31 0.12 -1.41 118.33 122.95 1s72 n VAL 74 Ca 0.15 -0.62 -0.13 0.00 -0.01 0.00 0.00 64.34 63.73 1s72 n VAL 74 Cb 0.45 -0.24 -0.09 0.00 -0.91 0.00 0.00 33.84 33.05 1s72 n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1s72 s ARG 75 N -2.91 0.61 -0.01 5.55 0.52 -0.88 -3.30 118.95 118.53 1s72 s ARG 75 Ca -0.08 0.07 -0.11 0.00 -0.52 0.00 0.00 55.73 55.08 1s72 s ARG 75 Cb 0.09 0.28 0.01 0.00 0.52 0.00 0.00 34.95 35.85 1s72 s ARG 75 CO 0.79 -0.15 0.24 1.14 0.02 0.00 0.00 175.30 177.35 1s72 s GLN 76 N -0.81 0.57 0.22 3.54 -2.07 -1.19 -0.53 119.66 119.40 1s72 s GLN 76 Ca -0.09 -0.23 0.01 0.00 -1.82 0.00 0.00 55.36 53.23 1s72 s GLN 76 Cb -0.04 0.25 0.21 0.00 -1.09 0.00 0.00 33.01 32.34 1s72 s GLN 76 CO 0.03 -0.15 1.55 0.00 -1.32 0.00 0.00 175.29 175.41 1s72 h ARG 77 N 4.16 0.39 -6.69 9.60 3.08 -1.71 -1.92 114.38 121.29 1s72 h ARG 77 Ca -0.30 -0.25 -0.52 0.00 0.07 0.00 0.00 59.98 58.99 1s72 h ARG 77 Cb 1.18 0.03 0.03 0.00 0.08 0.00 0.00 29.97 31.29 1s72 h ARG 77 CO 0.40 0.84 0.62 0.21 -1.07 0.00 0.00 179.97 180.96 1s72 s LYS 78 N -3.93 4.43 0.93 0.04 2.47 -1.26 -4.23 119.74 118.19 1s72 s LYS 78 Ca -0.06 2.00 -0.12 0.00 -1.56 0.00 0.00 55.97 56.24 1s72 s LYS 78 Cb 0.12 -3.20 0.07 0.00 -1.46 0.00 0.00 37.83 33.36 1s72 s LYS 78 CO 0.81 -0.18 0.69 -2.30 0.16 0.00 0.00 175.35 174.53 1s72 n PRO 79 N 2.40 -0.31 -3.97 4.03 -0.02 -1.26 -4.78 135.00 131.08 1s72 n PRO 79 Ca 0.05 -0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.40 1s72 n PRO 79 Cb 0.43 -2.05 -0.11 0.00 -0.02 0.00 0.00 33.50 31.75 1s72 n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1s72 s ILE 80 N -2.45 0.10 -0.18 4.25 -4.36 -0.57 -3.88 121.20 114.11 1s72 s ILE 80 Ca 0.61 -0.83 -0.07 0.00 -0.26 0.00 0.00 60.65 60.10 1s72 s ILE 80 Cb -0.23 -0.24 -0.04 0.00 1.25 0.00 0.00 42.46 43.21 1s72 s ILE 80 CO 0.63 -0.46 0.05 -0.60 0.24 0.00 0.00 174.94 174.81 1s72 s ARG 81 N -1.34 3.95 0.22 0.37 3.52 0.15 -0.71 118.95 125.12 1s72 s ARG 81 Ca -0.15 -0.35 -0.00 0.00 -0.13 0.00 0.00 55.73 55.10 1s72 s ARG 81 Cb -0.09 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1s72 s ARG 81 CO -0.01 0.28 0.41 1.03 -0.81 0.00 0.00 175.30 176.20 1s72 s ARG 82 N 0.35 3.52 0.42 5.12 0.52 -0.32 -0.98 118.95 127.59 1s72 s ARG 82 Ca 0.03 -0.36 0.30 0.00 -0.52 0.00 0.00 55.73 55.18 1s72 s ARG 82 Cb -0.12 -2.82 1.46 0.00 0.52 0.00 0.00 34.95 33.98 1s72 s ARG 82 CO 0.00 0.37 1.56 -2.30 0.02 0.00 0.00 175.30 174.95 1s72 n PRO 83 N -0.83 -0.04 -0.03 3.54 -0.02 -1.26 0.94 135.00 137.29 1s72 n PRO 83 Ca -0.05 1.27 0.03 0.00 -2.02 0.00 0.00 63.50 62.74 1s72 n PRO 83 Cb 0.54 -2.46 0.15 0.00 -0.02 0.00 0.00 33.50 31.71 1s72 n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1s72 n ASP 84 N -4.82 0.41 0.00 2.55 5.75 -1.26 -4.89 116.55 114.29 1s72 n ASP 84 Ca 0.40 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 1s72 n ASP 84 Cb 1.50 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 41.55 1s72 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s72 n GLY 85 N 0.68 2.66 3.77 6.12 0.00 0.27 -5.04 105.19 113.65 1s72 n GLY 85 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1s72 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s72 s THR 86 N -2.12 3.13 0.08 2.61 2.01 -1.25 -4.71 115.64 115.39 1s72 s THR 86 Ca 0.00 0.72 0.03 0.00 0.31 0.00 0.00 61.69 62.74 1s72 s THR 86 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1s72 s THR 86 CO 0.00 -0.14 0.10 -0.13 -0.69 0.00 0.00 174.62 173.76 1s72 s ARG 87 N -3.23 2.96 -0.04 4.92 1.81 -1.26 -1.17 118.95 122.94 1s72 s ARG 87 Ca 0.72 -0.65 0.02 0.00 -1.72 0.00 0.00 55.73 54.10 1s72 s ARG 87 Cb -0.25 -2.77 0.01 0.00 -0.45 0.00 0.00 34.95 31.49 1s72 s ARG 87 CO 0.28 0.57 -0.08 0.08 -0.68 0.00 0.00 175.30 175.48 1s72 s VAL 88 N -1.40 0.73 0.02 3.52 1.01 0.12 -4.90 120.40 119.49 1s72 s VAL 88 Ca 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1s72 s VAL 88 Cb -0.12 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1s72 s VAL 88 CO 0.23 0.25 -0.02 -1.59 0.00 0.00 0.00 175.10 173.97 1s72 s LYS 89 N 0.58 0.36 0.37 2.72 -2.85 -1.26 -1.51 119.74 118.14 1s72 s LYS 89 Ca -0.09 -0.67 0.08 0.00 -1.00 0.00 0.00 55.97 54.28 1s72 s LYS 89 Cb -0.12 0.13 -0.03 0.00 -2.06 0.00 0.00 37.83 35.74 1s72 s LYS 89 CO 0.01 -0.06 0.28 -0.06 0.10 0.00 0.00 175.35 175.62 1s72 s PHE 90 N -1.75 2.78 0.11 1.78 0.40 -0.72 -5.01 117.98 115.56 1s72 s PHE 90 Ca -0.13 -0.40 0.31 0.00 -0.60 0.00 0.00 56.93 56.11 1s72 s PHE 90 Cb -0.08 -1.89 1.23 0.00 0.51 0.00 0.00 43.02 42.79 1s72 s PHE 90 CO -0.02 0.12 1.94 1.49 0.70 0.00 0.00 175.22 179.45 1s72 h GLU 91 N 1.25 0.00 0.00 0.44 4.22 -1.93 -3.36 114.58 115.20 1s72 h GLU 91 Ca -0.43 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 58.89 1s72 h GLU 91 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1s72 h GLU 91 CO 0.60 0.06 0.02 -0.40 -2.18 0.00 0.00 179.01 177.11 1s72 n ASP 92 N -3.19 -1.16 -4.45 1.04 5.75 -1.26 -4.94 116.55 108.33 1s72 n ASP 92 Ca 0.00 -2.17 -0.34 0.00 -0.01 0.00 0.00 54.79 52.28 1s72 n ASP 92 Cb 0.34 2.04 -0.13 0.00 -1.03 0.00 0.00 41.12 42.34 1s72 n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1s72 s ASN 93 N -2.41 4.55 0.00 -1.12 0.01 -1.26 -3.19 114.94 111.53 1s72 s ASN 93 Ca 0.16 -0.20 -0.08 0.00 -0.71 0.00 0.00 52.86 52.03 1s72 s ASN 93 Cb -0.02 -1.73 0.00 0.00 0.41 0.00 0.00 41.25 39.91 1s72 s ASN 93 CO 0.11 0.16 0.16 0.00 -1.51 0.00 0.00 177.10 176.02 1s72 s ALA 94 N 0.41 -0.38 0.04 0.60 0.00 0.32 -1.62 121.76 121.13 1s72 s ALA 94 Ca -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 1s72 s ALA 94 Cb -0.15 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1s72 s ALA 94 CO 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 175.76 175.54 1s72 s ALA 95 N -1.43 0.38 -0.12 0.00 0.00 -0.11 0.10 121.76 120.59 1s72 s ALA 95 Ca -0.14 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1s72 s ALA 95 Cb -0.07 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1s72 s ALA 95 CO 0.02 -0.26 -0.22 0.08 0.00 0.00 0.00 175.76 175.38 1s72 s VAL 96 N -2.80 2.19 0.18 0.00 1.01 -0.39 -0.99 120.40 119.60 1s72 s VAL 96 Ca -0.03 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.68 1s72 s VAL 96 Cb -0.00 -1.86 -0.10 0.00 0.00 0.00 0.00 36.38 34.42 1s72 s VAL 96 CO -0.06 0.55 1.57 -0.63 0.00 0.00 0.00 175.10 176.53 1s72 s ILE 97 N 0.49 2.56 0.28 2.22 1.01 -1.26 -1.65 121.20 124.84 1s72 s ILE 97 Ca -0.15 0.41 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1s72 s ILE 97 Cb -0.17 -3.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.98 1s72 s ILE 97 CO 0.05 0.04 -0.10 0.54 0.00 0.00 0.00 174.94 175.47 1s72 s VAL 98 N 1.02 1.85 0.00 2.92 0.11 -0.17 -1.18 120.40 124.95 1s72 s VAL 98 Ca 0.69 -2.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.56 1s72 s VAL 98 Cb -0.44 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 1s72 s VAL 98 CO 0.33 -0.35 0.00 -0.90 -3.33 0.00 0.00 175.10 170.84 1s72 n ASP 99 N -0.58 0.79 -0.35 3.54 5.68 -1.00 -4.13 116.55 120.49 1s72 n ASP 99 Ca -0.06 -0.68 0.06 0.00 -0.50 0.00 0.00 54.79 53.61 1s72 n ASP 99 Cb 0.62 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.82 1s72 n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1s72 h GLU 100 N 0.00 0.96 -0.00 0.11 5.08 -1.99 -1.04 114.58 117.69 1s72 h GLU 100 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1s72 h GLU 100 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1s72 h GLU 100 CO 0.00 0.63 -0.15 0.09 -1.00 0.00 0.00 179.01 178.58 1s72 n ASN 101 N -4.62 0.42 0.00 1.42 3.02 -1.26 -4.91 115.26 109.32 1s72 n ASN 101 Ca 0.17 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1s72 n ASN 101 Cb 0.32 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1s72 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s72 n GLU 102 N -1.11 0.00 -3.30 3.52 1.02 -0.39 -5.04 120.64 115.33 1s72 n GLU 102 Ca 0.12 0.38 -0.38 0.00 -0.02 0.00 0.00 57.16 57.25 1s72 n GLU 102 Cb 0.30 -3.57 -0.06 0.00 -0.02 0.00 0.00 31.44 28.09 1s72 n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s72 s ASP 103 N -2.91 6.86 0.14 1.62 1.01 -1.26 -4.45 116.67 117.67 1s72 s ASP 103 Ca 0.00 1.02 -0.34 0.00 0.71 0.00 0.00 52.55 53.94 1s72 s ASP 103 Cb 0.00 -2.32 -0.14 0.00 1.01 0.00 0.00 42.92 41.48 1s72 s ASP 103 CO 0.00 0.13 1.61 -0.81 0.21 0.00 0.00 175.17 176.31 1s72 n PRO 104 N 2.76 2.16 0.27 8.23 -0.04 -1.26 -2.38 135.00 144.74 1s72 n PRO 104 Ca -0.09 0.78 0.12 0.00 -0.04 0.00 0.00 63.50 64.28 1s72 n PRO 104 Cb 0.51 -2.56 0.76 0.00 -0.04 0.00 0.00 33.50 32.18 1s72 n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1s72 h ARG 105 N 6.27 0.00 0.00 0.54 2.43 -1.46 -3.44 114.38 118.72 1s72 h ARG 105 Ca -0.45 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.42 1s72 h ARG 105 Cb 1.25 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.85 1s72 h ARG 105 CO 0.89 0.07 0.04 0.41 -1.51 0.00 0.00 179.97 179.88 1s72 n GLY 106 N -1.05 1.02 0.04 2.80 0.00 -1.26 -4.96 105.19 101.78 1s72 n GLY 106 Ca -0.02 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1s72 n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s72 n THR 107 N -2.18 0.51 -4.02 2.61 -1.04 -1.26 -5.01 114.28 103.89 1s72 n THR 107 Ca 0.10 -0.51 -0.12 0.00 -2.04 0.00 0.00 64.05 61.49 1s72 n THR 107 Cb 0.38 -0.23 -0.12 0.00 -1.82 0.00 0.00 70.33 68.54 1s72 n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1s72 s GLU 108 N -2.76 0.38 -0.19 -2.82 2.02 -1.26 -5.05 118.70 109.02 1s72 s GLU 108 Ca -0.07 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.29 1s72 s GLU 108 Cb 0.08 -0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.16 1s72 s GLU 108 CO 0.65 0.01 0.02 -0.51 0.02 0.00 0.00 175.26 175.45 1s72 s LEU 109 N -1.25 3.42 -0.13 1.80 1.43 -1.26 -2.36 118.68 120.34 1s72 s LEU 109 Ca -0.10 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 1s72 s LEU 109 Cb -0.08 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1s72 s LEU 109 CO -0.00 0.10 0.59 -0.54 0.23 0.00 0.00 176.35 176.73 1s72 s LYS 110 N 0.80 4.33 0.00 1.70 1.02 -0.78 -4.56 119.74 122.24 1s72 s LYS 110 Ca 0.01 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.64 1s72 s LYS 110 Cb -0.14 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 1s72 s LYS 110 CO 0.02 -0.00 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 1s72 n GLY 111 N 3.40 -1.26 3.67 -3.33 0.00 -1.26 -4.66 105.19 101.75 1s72 n GLY 111 Ca -0.03 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 1s72 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s72 s PRO 112 N -2.18 0.81 0.02 1.61 0.04 -1.26 -4.56 135.00 129.48 1s72 s PRO 112 Ca 0.00 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1s72 s PRO 112 Cb 0.00 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 1s72 s PRO 112 CO 0.00 -2.57 -0.03 0.42 0.04 0.00 0.00 177.00 174.86 1s72 s ILE 113 N -2.82 0.15 0.15 0.56 1.01 -0.68 -4.87 121.20 114.69 1s72 s ILE 113 Ca 0.65 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 1s72 s ILE 113 Cb -0.20 -0.28 -0.07 0.00 0.01 0.00 0.00 42.46 41.93 1s72 s ILE 113 CO 0.58 -0.45 1.09 0.00 0.00 0.00 0.00 174.94 176.17 1s72 s ALA 114 N -1.33 3.35 0.36 9.38 0.00 -1.21 -0.84 121.76 131.46 1s72 s ALA 114 Ca -0.14 0.78 0.11 0.00 0.00 0.00 0.00 51.96 52.70 1s72 s ALA 114 Cb -0.09 -3.35 0.87 0.00 0.00 0.00 0.00 23.12 20.55 1s72 s ALA 114 CO -0.01 -0.21 1.85 0.07 0.00 0.00 0.00 175.76 177.46 1s72 h ARG 115 N 5.43 0.62 -0.10 0.00 0.11 -1.86 -1.05 114.38 117.53 1s72 h ARG 115 Ca -0.44 -0.04 0.03 0.00 0.10 0.00 0.00 59.98 59.63 1s72 h ARG 115 Cb 1.21 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 32.15 1s72 h ARG 115 CO 0.73 0.41 0.08 0.93 0.10 0.00 0.00 179.97 182.23 1s72 h GLU 116 N 0.63 0.00 0.00 0.08 3.07 -1.89 0.21 114.58 116.68 1s72 h GLU 116 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1s72 h GLU 116 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1s72 h GLU 116 CO -0.23 0.00 0.00 0.28 -1.40 0.00 0.00 179.01 177.66 1s72 h VAL 117 N 0.00 0.00 0.07 3.13 2.07 -1.51 -2.92 116.25 117.09 1s72 h VAL 117 Ca 0.05 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1s72 h VAL 117 Cb 0.21 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1s72 h VAL 117 CO -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.55 1s72 h ALA 118 N 2.02 -0.10 0.00 1.67 0.00 -1.08 -1.24 119.26 120.53 1s72 h ALA 118 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1s72 h ALA 118 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1s72 h ALA 118 CO 0.00 -0.33 0.00 1.04 0.00 0.00 0.00 179.25 179.96 1s72 n GLN 119 N -4.93 0.00 0.00 0.00 6.02 -1.10 -2.83 117.38 114.54 1s72 n GLN 119 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1s72 n GLN 119 Cb 0.24 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1s72 n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s72 n ARG 120 N -0.87 0.00 -3.89 -1.09 1.74 -1.12 -4.83 116.66 106.60 1s72 n ARG 120 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1s72 n ARG 120 Cb 0.00 -0.58 -0.13 0.00 -1.02 0.00 0.00 32.46 30.73 1s72 n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1s72 s PHE 121 N -1.90 3.27 0.11 -1.55 0.40 -0.48 -4.99 117.98 112.84 1s72 s PHE 121 Ca 0.00 -3.21 -0.34 0.00 -0.60 0.00 0.00 56.93 52.78 1s72 s PHE 121 Cb 0.00 -2.66 -0.14 0.00 0.51 0.00 0.00 43.02 40.74 1s72 s PHE 121 CO 0.00 -0.64 1.56 0.78 0.70 0.00 0.00 175.22 177.62 1s72 h GLY 122 N 5.89 -1.11 1.18 4.36 0.00 -1.82 -0.89 103.07 110.69 1s72 h GLY 122 Ca 0.06 0.62 0.11 0.00 0.00 0.00 0.00 47.33 48.12 1s72 h GLY 122 CO 0.69 -0.27 0.30 1.48 0.00 0.00 0.00 176.54 178.74 1s72 h SER 123 N -0.74 0.00 -0.14 0.19 4.64 -1.93 0.43 113.55 116.00 1s72 h SER 123 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1s72 h SER 123 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1s72 h SER 123 CO -0.28 0.00 -0.40 0.58 -0.87 0.00 0.00 176.83 175.85 1s72 h VAL 124 N 0.00 1.36 0.05 0.95 2.07 -1.59 -3.26 116.25 115.83 1s72 h VAL 124 Ca 0.18 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 1s72 h VAL 124 Cb 0.78 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1s72 h VAL 124 CO -0.00 0.51 -0.03 0.00 0.02 0.00 0.00 177.57 178.07 1s72 h ALA 125 N 0.53 -0.07 0.00 1.67 0.00 0.65 -2.69 119.26 119.35 1s72 h ALA 125 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1s72 h ALA 125 Cb 1.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1s72 h ALA 125 CO 0.09 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 177.75 1s72 n SER 126 N -5.04 0.47 0.00 0.00 3.41 0.12 -0.09 113.62 112.49 1s72 n SER 126 Ca -0.08 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1s72 n SER 126 Cb 0.13 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1s72 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s72 n ALA 127 N 0.37 0.95 -1.78 7.33 0.00 -1.02 -5.01 120.51 121.34 1s72 n ALA 127 Ca 0.00 -0.24 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 1s72 n ALA 127 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 1s72 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s72 s ALA 128 N -0.05 3.14 -0.18 0.00 0.00 0.88 -4.03 121.76 121.51 1s72 s ALA 128 Ca 0.00 0.63 -0.21 0.00 0.00 0.00 0.00 51.96 52.38 1s72 s ALA 128 Cb 0.00 -3.24 -0.18 0.00 0.00 0.00 0.00 23.12 19.70 1s72 s ALA 128 CO 0.00 -0.07 0.30 1.15 0.00 0.00 0.00 175.76 177.14 1s72 h THR 129 N 2.35 1.00 -3.99 0.00 2.02 -1.83 -3.47 112.91 108.99 1s72 h THR 129 Ca -0.48 -2.04 -0.57 0.00 0.77 0.00 0.00 66.41 64.09 1s72 h THR 129 Cb 1.20 2.18 -0.31 0.00 -1.74 0.00 0.00 68.15 69.48 1s72 h THR 129 CO 0.63 0.34 -0.84 -0.04 0.37 0.00 0.00 175.52 175.98 1s72 s MET 130 N -2.28 1.74 -0.24 6.66 -1.94 -1.26 -5.10 119.30 116.88 1s72 s MET 130 Ca -0.24 -0.62 -0.00 0.00 -1.71 0.00 0.00 55.69 53.12 1s72 s MET 130 Cb 0.03 -1.54 0.07 0.00 2.01 0.00 0.00 34.83 35.40 1s72 s MET 130 CO 0.55 0.28 0.01 0.42 -0.01 0.00 0.00 175.02 176.27 1s72 s ILE 131 N -0.06 1.14 -2.93 2.53 1.01 -1.26 -1.69 121.20 119.94 1s72 s ILE 131 Ca -0.02 -1.12 0.23 0.00 0.00 0.00 0.00 60.65 59.74 1s72 s ILE 131 Cb -0.11 -1.59 0.19 0.00 0.01 0.00 0.00 42.46 40.96 1s72 s ILE 131 CO 0.02 -0.28 1.24 0.52 0.00 0.00 0.00 174.94 176.44