#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4ubp s TYR 6 N 0.00 2.97 -0.31 3.10 6.14 -1.26 -4.97 117.35 123.02 4ubp s TYR 6 Ca 0.00 0.76 -0.13 0.00 0.64 0.00 0.00 57.07 58.34 4ubp s TYR 6 Cb 0.00 -3.94 -0.03 0.00 0.42 0.00 0.00 41.96 38.41 4ubp s TYR 6 CO 0.00 -3.29 0.29 0.42 0.64 0.00 0.00 175.55 173.61 4ubp s ILE 7 N 0.53 5.24 -0.40 3.14 1.01 -1.26 -5.03 121.20 124.42 4ubp s ILE 7 Ca 0.66 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 61.34 4ubp s ILE 7 Cb -0.45 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.38 4ubp s ILE 7 CO 0.39 0.09 0.26 -0.69 0.00 0.00 0.00 174.94 174.99 4ubp s VAL 8 N 1.89 4.79 0.10 2.92 1.01 -1.26 -5.05 120.40 124.80 4ubp s VAL 8 Ca 0.10 -0.91 -0.36 0.00 0.00 0.00 0.00 61.98 60.81 4ubp s VAL 8 Cb -0.16 -3.73 -0.16 0.00 0.00 0.00 0.00 36.38 32.32 4ubp s VAL 8 CO 0.11 -0.34 1.35 -2.65 0.00 0.00 0.00 175.10 173.57 4ubp n PRO 9 N 5.06 1.25 -0.99 2.72 -0.02 -1.26 -1.89 135.00 139.86 4ubp n PRO 9 Ca -0.11 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 4ubp n PRO 9 Cb 0.46 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 4ubp n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4ubp n GLY 10 N 2.56 0.33 3.74 -1.23 0.00 -1.26 -4.98 105.19 104.35 4ubp n GLY 10 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 4ubp n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 4ubp s GLU 11 N -0.72 2.45 0.34 1.61 -1.05 -0.79 -5.02 118.70 115.52 4ubp s GLU 11 Ca 0.00 1.58 -0.10 0.00 -0.15 0.00 0.00 54.97 56.30 4ubp s GLU 11 Cb 0.00 -1.89 -0.07 0.00 -0.44 0.00 0.00 34.13 31.73 4ubp s GLU 11 CO 0.00 -1.56 0.68 0.71 0.95 0.00 0.00 175.26 176.05 4ubp s TYR 12 N -2.16 3.45 -0.45 4.83 2.02 -1.26 -5.04 117.35 118.74 4ubp s TYR 12 Ca 0.71 0.96 0.02 0.00 -0.37 0.00 0.00 57.07 58.39 4ubp s TYR 12 Cb -0.25 -2.36 0.14 0.00 -0.40 0.00 0.00 41.96 39.10 4ubp s TYR 12 CO 0.43 0.05 0.26 0.50 -1.57 0.00 0.00 175.55 175.22 4ubp s ARG 13 N -3.47 1.28 0.52 -0.62 3.52 -1.26 -5.12 118.95 113.80 4ubp s ARG 13 Ca 0.50 -2.04 -0.19 0.00 -0.13 0.00 0.00 55.73 53.87 4ubp s ARG 13 Cb -0.10 -2.27 -0.07 0.00 -1.56 0.00 0.00 34.95 30.95 4ubp s ARG 13 CO 0.27 -1.19 1.04 0.14 -0.81 0.00 0.00 175.30 174.76 4ubp s VAL 14 N 0.28 3.82 1.05 7.11 -7.23 -1.26 -5.03 120.40 119.14 4ubp s VAL 14 Ca 0.19 1.03 -0.14 0.00 -1.81 0.00 0.00 61.98 61.26 4ubp s VAL 14 Cb -0.21 -3.44 0.21 0.00 0.56 0.00 0.00 36.38 33.50 4ubp s VAL 14 CO -0.02 -0.35 1.10 0.00 -0.31 0.00 0.00 175.10 175.52 4ubp s ALA 15 N -2.16 0.81 0.56 1.32 0.00 -1.26 -5.03 121.76 115.99 4ubp s ALA 15 Ca 0.66 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 4ubp s ALA 15 Cb -0.16 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 4ubp s ALA 15 CO 0.26 -3.04 0.95 -1.21 0.00 0.00 0.00 175.76 172.72 4ubp s GLU 16 N -5.04 3.65 0.00 0.00 0.41 -1.26 -4.95 118.70 111.51 4ubp s GLU 16 Ca 0.67 0.64 0.00 0.00 -0.41 0.00 0.00 54.97 55.86 4ubp s GLU 16 Cb -0.17 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.00 4ubp s GLU 16 CO 0.57 -0.40 0.00 0.41 -0.49 0.00 0.00 175.26 175.35 4ubp n GLY 17 N -2.35 -0.15 3.06 -1.39 0.00 -1.26 -5.07 105.19 98.04 4ubp n GLY 17 Ca 0.05 -2.26 -0.08 0.00 0.00 0.00 0.00 46.02 43.72 4ubp n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4ubp s GLU 18 N -0.03 0.52 -0.24 1.61 8.01 -1.26 -5.14 118.70 122.17 4ubp s GLU 18 Ca 0.00 -0.99 -0.07 0.00 0.01 0.00 0.00 54.97 53.92 4ubp s GLU 18 Cb 0.00 0.18 -0.03 0.00 -4.31 0.00 0.00 34.13 29.97 4ubp s GLU 18 CO 0.00 -0.10 0.07 0.42 0.01 0.00 0.00 175.26 175.66 4ubp s ILE 19 N -3.07 4.35 -0.17 -1.63 -1.09 -1.26 -5.08 121.20 113.25 4ubp s ILE 19 Ca -0.01 -0.16 -0.22 0.00 -2.23 0.00 0.00 60.65 58.03 4ubp s ILE 19 Cb 0.02 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.85 4ubp s ILE 19 CO -0.07 0.35 0.67 -0.70 -1.23 0.00 0.00 174.94 173.97 4ubp s GLU 20 N 1.46 4.26 0.27 2.79 2.12 -1.26 -5.06 118.70 123.29 4ubp s GLU 20 Ca 0.06 0.72 -0.10 0.00 0.36 0.00 0.00 54.97 56.00 4ubp s GLU 20 Cb -0.15 -3.56 -0.07 0.00 0.26 0.00 0.00 34.13 30.61 4ubp s GLU 20 CO 0.04 -0.21 0.61 0.96 -0.54 0.00 0.00 175.26 176.12 4ubp s ILE 21 N 1.79 4.87 -1.46 -3.70 -4.36 -1.26 -4.32 121.20 112.76 4ubp s ILE 21 Ca 0.32 0.55 -0.07 0.00 -0.26 0.00 0.00 60.65 61.19 4ubp s ILE 21 Cb -0.16 -3.64 0.05 0.00 1.25 0.00 0.00 42.46 39.96 4ubp s ILE 21 CO 0.12 -0.16 0.71 0.59 0.24 0.00 0.00 174.94 176.43 4ubp n ASN 22 N -0.38 -2.28 -4.77 4.36 3.02 -1.26 -4.87 115.26 109.08 4ubp n ASN 22 Ca 0.01 -0.89 -0.38 0.00 -0.03 0.00 0.00 54.58 53.29 4ubp n ASN 22 Cb 0.53 -3.52 -0.02 0.00 -0.61 0.00 0.00 39.78 36.16 4ubp n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 4ubp s ALA 23 N -3.59 3.17 0.00 5.41 0.00 -1.26 -2.84 121.76 122.65 4ubp s ALA 23 Ca 0.30 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.29 4ubp s ALA 23 Cb -0.16 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.56 4ubp s ALA 23 CO 0.86 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.43 4ubp n GLY 24 N 0.65 1.62 3.89 0.00 0.00 -1.26 -5.02 105.19 105.07 4ubp n GLY 24 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 4ubp n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4ubp s ARG 25 N -0.06 3.46 0.37 1.61 0.52 -1.13 -5.06 118.95 118.66 4ubp s ARG 25 Ca 0.00 -0.21 -0.28 0.00 -0.52 0.00 0.00 55.73 54.72 4ubp s ARG 25 Cb 0.00 -3.13 -0.11 0.00 0.52 0.00 0.00 34.95 32.23 4ubp s ARG 25 CO 0.00 0.71 1.48 -1.91 0.02 0.00 0.00 175.30 175.60 4ubp n GLU 26 N 1.36 2.64 -4.41 3.54 2.13 -1.26 -4.85 120.64 119.80 4ubp n GLU 26 Ca -0.14 0.93 -0.32 0.00 0.66 0.00 0.00 57.16 58.28 4ubp n GLU 26 Cb 0.53 -2.65 -0.10 0.00 0.27 0.00 0.00 31.44 29.49 4ubp n GLU 26 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 4ubp s LYS 27 N -1.97 2.54 -0.01 5.31 1.02 -1.26 -3.17 119.74 122.19 4ubp s LYS 27 Ca 0.54 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.79 4ubp s LYS 27 Cb -0.48 -2.50 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 4ubp s LYS 27 CO 0.63 0.59 0.02 0.99 -0.92 0.00 0.00 175.35 176.66 4ubp s THR 28 N -1.04 -0.01 -0.18 2.17 2.01 -0.35 -4.97 115.64 113.27 4ubp s THR 28 Ca 0.18 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.23 4ubp s THR 28 Cb -0.11 -0.07 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 4ubp s THR 28 CO 0.09 0.06 0.05 -0.89 -0.69 0.00 0.00 174.62 173.24 4ubp s THR 29 N 0.66 4.64 0.08 -0.82 2.01 -1.26 0.24 115.64 121.19 4ubp s THR 29 Ca -0.06 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 61.88 4ubp s THR 29 Cb -0.08 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 4ubp s THR 29 CO -0.02 0.46 -0.08 0.27 -0.69 0.00 0.00 174.62 174.56 4ubp s ILE 30 N 0.40 0.75 -0.04 1.82 -4.36 -0.58 -4.98 121.20 114.20 4ubp s ILE 30 Ca 0.02 -1.57 -0.15 0.00 -0.26 0.00 0.00 60.65 58.69 4ubp s ILE 30 Cb -0.13 -1.25 -0.05 0.00 1.25 0.00 0.00 42.46 42.28 4ubp s ILE 30 CO 0.01 -0.61 0.38 -0.13 0.24 0.00 0.00 174.94 174.83 4ubp s ARG 31 N -2.77 3.99 -0.03 0.37 0.52 -1.26 -0.74 118.95 119.03 4ubp s ARG 31 Ca 0.03 0.34 0.01 0.00 -0.52 0.00 0.00 55.73 55.59 4ubp s ARG 31 Cb -0.02 -3.27 0.02 0.00 0.52 0.00 0.00 34.95 32.19 4ubp s ARG 31 CO -0.01 0.57 -0.03 0.08 0.02 0.00 0.00 175.30 175.93 4ubp s VAL 32 N -0.65 0.34 -0.09 3.52 1.01 -0.23 -4.55 120.40 119.75 4ubp s VAL 32 Ca 0.23 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.19 4ubp s VAL 32 Cb -0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 4ubp s VAL 32 CO 0.11 0.16 -0.23 -0.55 0.00 0.00 0.00 175.10 174.59 4ubp s SER 33 N 0.66 3.23 -0.67 3.32 0.15 -0.28 -1.39 113.70 118.72 4ubp s SER 33 Ca -0.07 -0.51 -0.24 0.00 0.70 0.00 0.00 55.95 55.83 4ubp s SER 33 Cb -0.11 -1.27 0.06 0.00 -1.71 0.00 0.00 66.02 62.99 4ubp s SER 33 CO -0.01 0.19 1.03 0.21 1.20 0.00 0.00 173.24 175.86 4ubp s ASN 34 N 0.18 6.18 0.00 5.45 3.84 0.18 -0.27 114.94 130.51 4ubp s ASN 34 Ca -0.13 -0.83 0.30 0.00 0.21 0.00 0.00 52.86 52.42 4ubp s ASN 34 Cb -0.16 -2.45 1.55 0.00 -0.55 0.00 0.00 41.25 39.64 4ubp s ASN 34 CO 0.07 -1.50 2.05 0.35 -2.79 0.00 0.00 177.10 175.27 4ubp n THR 35 N 6.04 0.00 -2.39 -5.21 -2.24 -0.66 -1.27 114.28 108.54 4ubp n THR 35 Ca -0.02 -0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.48 4ubp n THR 35 Cb 0.46 -0.37 0.13 0.00 -2.10 0.00 0.00 70.33 68.45 4ubp n THR 35 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 4ubp s GLY 36 N -2.36 1.76 -0.02 3.38 0.00 -1.26 -4.85 107.32 103.97 4ubp s GLY 36 Ca 0.35 -1.56 0.12 0.00 0.00 0.00 0.00 44.72 43.62 4ubp s GLY 36 CO 0.43 -0.94 1.30 2.09 0.00 0.00 0.00 173.10 175.98 4ubp n ASP 37 N -3.10 3.15 -4.24 1.64 5.68 -1.26 -3.22 116.55 115.20 4ubp n ASP 37 Ca 0.15 -2.13 -0.20 0.00 -0.50 0.00 0.00 54.79 52.11 4ubp n ASP 37 Cb 0.60 -0.29 -0.12 0.00 -1.14 0.00 0.00 41.12 40.17 4ubp n ASP 37 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 4ubp s ARG 38 N -1.23 1.01 0.42 0.11 0.52 -1.26 -4.80 118.95 113.71 4ubp s ARG 38 Ca 0.28 -1.15 -0.25 0.00 -0.52 0.00 0.00 55.73 54.09 4ubp s ARG 38 Cb 0.16 -1.04 -0.08 0.00 0.52 0.00 0.00 34.95 34.51 4ubp s ARG 38 CO 0.16 0.22 1.18 -1.25 0.02 0.00 0.00 175.30 175.64 4ubp s PRO 39 N -2.20 3.97 -0.10 3.54 0.04 -1.26 -4.33 135.00 134.65 4ubp s PRO 39 Ca 0.05 1.86 0.01 0.00 0.04 0.00 0.00 61.00 62.97 4ubp s PRO 39 Cb -0.08 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.86 4ubp s PRO 39 CO 0.03 -0.40 -0.13 0.42 0.04 0.00 0.00 177.00 176.97 4ubp s ILE 40 N -1.43 1.31 -0.07 0.56 1.01 -0.33 -5.00 121.20 117.24 4ubp s ILE 40 Ca 0.59 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.75 4ubp s ILE 40 Cb -0.31 -1.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 4ubp s ILE 40 CO 0.39 0.40 -0.23 -1.58 0.00 0.00 0.00 174.94 173.92 4ubp s GLN 41 N 1.02 2.64 -0.16 2.79 0.74 -1.26 -0.06 119.66 125.37 4ubp s GLN 41 Ca -0.07 -0.84 0.01 0.00 0.05 0.00 0.00 55.36 54.51 4ubp s GLN 41 Cb -0.15 -2.12 0.02 0.00 1.10 0.00 0.00 33.01 31.86 4ubp s GLN 41 CO -0.01 0.27 -0.20 0.08 -0.55 0.00 0.00 175.29 174.87 4ubp s VAL 42 N 0.11 2.02 0.78 1.34 1.01 0.11 -4.94 120.40 120.83 4ubp s VAL 42 Ca -0.11 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 4ubp s VAL 42 Cb -0.15 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.47 4ubp s VAL 42 CO 0.06 0.54 1.08 -0.83 0.00 0.00 0.00 175.10 175.95 4ubp s GLY 43 N 1.13 1.64 0.47 4.51 0.00 -1.26 -0.82 107.32 112.99 4ubp s GLY 43 Ca 0.01 -0.03 0.15 0.00 0.00 0.00 0.00 44.72 44.86 4ubp s GLY 43 CO -0.09 0.36 2.04 1.48 0.00 0.00 0.00 173.10 176.90 4ubp h SER 44 N -1.05 0.21 -0.14 1.64 4.64 -1.50 -3.22 113.55 114.14 4ubp h SER 44 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 4ubp h SER 44 Cb 1.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 4ubp h SER 44 CO 0.57 0.14 0.00 1.41 -0.87 0.00 0.00 176.83 178.08 4ubp n HIS 45 N -4.47 0.26 -2.78 4.77 8.25 -1.26 -3.41 115.22 116.58 4ubp n HIS 45 Ca 0.05 -0.62 -0.42 0.00 -0.26 0.00 0.00 57.72 56.47 4ubp n HIS 45 Cb 0.29 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 4ubp n HIS 45 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 4ubp s ILE 46 N -1.51 4.89 -0.33 1.59 2.07 -1.22 -4.97 121.20 121.72 4ubp s ILE 46 Ca 0.17 1.93 -0.40 0.00 -1.41 0.00 0.00 60.65 60.94 4ubp s ILE 46 Cb 0.12 -4.26 -0.15 0.00 0.13 0.00 0.00 42.46 38.30 4ubp s ILE 46 CO 0.06 0.15 1.90 1.57 -1.91 0.00 0.00 174.94 176.71 4ubp n HIS 47 N 4.11 1.85 0.08 3.50 -0.00 -1.26 -4.56 115.22 118.93 4ubp n HIS 47 Ca 0.05 0.51 -0.00 0.00 -0.00 0.00 0.00 57.72 58.28 4ubp n HIS 47 Cb 0.51 -2.45 0.30 0.00 -0.00 0.00 0.00 29.99 28.34 4ubp n HIS 47 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 4ubp h PHE 48 N 8.64 0.34 0.00 1.57 3.57 -0.96 -1.12 116.94 128.98 4ubp h PHE 48 Ca -0.38 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.07 4ubp h PHE 48 Cb 1.33 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.98 4ubp h PHE 48 CO 0.84 0.51 0.00 -0.24 -2.23 0.00 0.00 178.31 177.19 4ubp h VAL 49 N 0.29 0.00 -0.69 1.41 3.04 -1.76 -2.81 116.25 115.73 4ubp h VAL 49 Ca 0.05 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 4ubp h VAL 49 Cb 0.54 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 4ubp h VAL 49 CO 0.04 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.98 4ubp n GLU 50 N -2.63 3.07 -1.32 4.17 1.02 -0.42 -4.96 120.64 119.56 4ubp n GLU 50 Ca -0.01 -2.67 -0.29 0.00 -0.02 0.00 0.00 57.16 54.16 4ubp n GLU 50 Cb 0.14 -1.69 0.13 0.00 -0.02 0.00 0.00 31.44 30.01 4ubp n GLU 50 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 4ubp s VAL 51 N -1.36 2.59 -0.08 2.62 -7.23 -1.06 -4.64 120.40 111.23 4ubp s VAL 51 Ca 0.49 0.19 -0.26 0.00 -1.81 0.00 0.00 61.98 60.59 4ubp s VAL 51 Cb 0.28 -2.77 -0.13 0.00 0.56 0.00 0.00 36.38 34.32 4ubp s VAL 51 CO 0.29 -0.25 0.76 -3.20 -0.31 0.00 0.00 175.10 172.39 4ubp n ASN 52 N -3.81 0.20 -0.26 4.85 2.85 -1.26 -4.80 115.26 113.03 4ubp n ASN 52 Ca 0.07 0.73 0.25 0.00 -0.11 0.00 0.00 54.58 55.52 4ubp n ASN 52 Cb 0.56 -0.57 0.61 0.00 1.24 0.00 0.00 39.78 41.62 4ubp n ASN 52 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 4ubp h LYS 53 N 2.22 0.22 0.00 1.20 1.57 -1.89 -1.62 116.57 118.27 4ubp h LYS 53 Ca -0.31 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 4ubp h LYS 53 Cb 0.89 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.15 4ubp h LYS 53 CO 0.46 0.15 0.00 0.39 -0.57 0.00 0.00 179.45 179.88 4ubp n GLU 54 N -4.43 0.40 -2.50 3.15 -0.58 -1.26 -1.52 120.64 113.91 4ubp n GLU 54 Ca 0.22 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.53 4ubp n GLU 54 Cb 0.91 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 30.26 4ubp n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 4ubp s LEU 55 N -2.60 4.17 -0.27 -4.62 1.43 -0.61 -1.66 118.68 114.53 4ubp s LEU 55 Ca 0.28 1.62 -0.10 0.00 -1.03 0.00 0.00 54.13 54.89 4ubp s LEU 55 Cb 0.20 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 4ubp s LEU 55 CO 0.46 -0.71 0.15 -0.22 0.23 0.00 0.00 176.35 176.27 4ubp s LEU 56 N 3.22 3.85 0.21 1.79 2.96 0.63 -4.25 118.68 127.08 4ubp s LEU 56 Ca 0.52 -0.07 -0.23 0.00 -0.22 0.00 0.00 54.13 54.13 4ubp s LEU 56 Cb -0.20 -2.06 0.04 0.00 0.50 0.00 0.00 46.19 44.47 4ubp s LEU 56 CO 0.13 -0.04 0.83 0.72 -1.32 0.00 0.00 176.35 176.67 4ubp s PHE 57 N 1.70 -0.18 -0.74 5.38 -0.71 -1.25 -1.13 117.98 121.05 4ubp s PHE 57 Ca 0.07 -0.19 -0.26 0.00 -1.04 0.00 0.00 56.93 55.51 4ubp s PHE 57 Cb -0.16 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.28 4ubp s PHE 57 CO 0.09 -1.01 1.91 0.34 -1.34 0.00 0.00 175.22 175.21 4ubp s ASP 58 N -2.91 5.19 0.38 1.98 -1.08 -1.26 -4.12 116.67 114.85 4ubp s ASP 58 Ca 0.11 -0.12 0.11 0.00 -0.52 0.00 0.00 52.55 52.14 4ubp s ASP 58 Cb -0.03 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.78 4ubp s ASP 58 CO 0.04 -2.56 1.89 0.03 0.52 0.00 0.00 175.17 175.08 4ubp h ARG 59 N 13.33 0.57 -0.37 4.34 2.47 -1.63 0.04 114.38 133.14 4ubp h ARG 59 Ca -0.10 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.66 4ubp h ARG 59 Cb 1.09 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.26 4ubp h ARG 59 CO 1.21 0.38 0.25 0.00 0.56 0.00 0.00 179.97 182.38 4ubp h ALA 60 N 1.61 2.10 0.00 0.04 0.00 -1.88 0.42 119.26 121.55 4ubp h ALA 60 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 4ubp h ALA 60 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 4ubp h ALA 60 CO -0.17 -0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.29 4ubp n GLU 61 N -4.47 0.29 0.00 0.00 -0.58 -0.00 -2.73 120.64 113.15 4ubp n GLU 61 Ca 0.05 0.04 0.11 0.00 -0.42 0.00 0.00 57.16 56.94 4ubp n GLU 61 Cb 0.31 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.74 4ubp n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 4ubp n GLY 62 N 1.01 -0.88 3.71 0.62 0.00 0.13 -4.86 105.19 104.92 4ubp n GLY 62 Ca 0.11 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 4ubp n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4ubp s ILE 63 N -2.86 3.89 -0.74 -0.61 1.01 -1.11 -2.57 121.20 118.21 4ubp s ILE 63 Ca 0.12 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.11 4ubp s ILE 63 Cb 0.17 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.78 4ubp s ILE 63 CO 0.73 0.08 0.00 0.61 0.00 0.00 0.00 174.94 176.36 4ubp n GLY 64 N 3.33 0.91 3.32 6.18 0.00 -1.26 -4.99 105.19 112.67 4ubp n GLY 64 Ca 0.10 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 4ubp n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4ubp s ARG 65 N -2.40 1.42 0.23 1.61 0.52 -1.11 -0.70 118.95 118.53 4ubp s ARG 65 Ca 0.00 -1.77 -0.17 0.00 -0.52 0.00 0.00 55.73 53.27 4ubp s ARG 65 Cb 0.00 -0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.25 4ubp s ARG 65 CO 0.00 -0.31 0.57 -0.98 0.02 0.00 0.00 175.30 174.60 4ubp s ARG 66 N -4.02 1.54 0.30 3.54 1.70 -0.30 -0.74 118.95 120.96 4ubp s ARG 66 Ca 0.38 -0.99 -0.30 0.00 -0.47 0.00 0.00 55.73 54.35 4ubp s ARG 66 Cb 0.08 0.54 -0.11 0.00 -0.57 0.00 0.00 34.95 34.88 4ubp s ARG 66 CO 0.14 -0.67 1.56 -0.51 -1.08 0.00 0.00 175.30 174.74 4ubp s LEU 67 N -2.92 4.35 -1.33 -1.89 1.43 -1.22 0.06 118.68 117.16 4ubp s LEU 67 Ca 0.13 2.92 -0.08 0.00 -1.03 0.00 0.00 54.13 56.06 4ubp s LEU 67 Cb -0.02 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.69 4ubp s LEU 67 CO 0.03 -0.87 2.13 -3.20 0.23 0.00 0.00 176.35 174.67 4ubp n ASN 68 N 1.98 6.18 -4.20 2.29 5.15 0.34 -4.55 115.26 122.45 4ubp n ASN 68 Ca 0.07 -3.07 -0.15 0.00 -0.60 0.00 0.00 54.58 50.83 4ubp n ASN 68 Cb 0.38 -1.46 -0.11 0.00 -0.53 0.00 0.00 39.78 38.07 4ubp n ASN 68 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 4ubp s ILE 69 N 0.19 1.05 0.25 -1.44 -4.36 -1.26 -4.91 121.20 110.72 4ubp s ILE 69 Ca 0.47 -1.72 -0.29 0.00 -0.26 0.00 0.00 60.65 58.85 4ubp s ILE 69 Cb 0.13 -1.46 -0.15 0.00 1.25 0.00 0.00 42.46 42.23 4ubp s ILE 69 CO -0.04 -0.56 1.01 -2.65 0.24 0.00 0.00 174.94 172.94 4ubp n PRO 70 N 0.45 1.16 -1.62 0.37 -0.02 -1.26 -4.81 135.00 129.27 4ubp n PRO 70 Ca -0.15 0.41 -0.51 0.00 -2.02 0.00 0.00 63.50 61.23 4ubp n PRO 70 Cb 0.58 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.22 4ubp n PRO 70 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 4ubp n SER 71 N 1.53 2.08 0.00 2.55 2.88 -1.26 -1.69 113.62 119.72 4ubp n SER 71 Ca 0.12 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 4ubp n SER 71 Cb 0.29 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 4ubp n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 4ubp n GLY 72 N 2.94 0.84 4.02 0.46 0.00 -1.26 -5.05 105.19 107.15 4ubp n GLY 72 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 4ubp n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 4ubp s THR 73 N -2.91 2.35 0.06 2.61 -4.23 -0.68 -4.89 115.64 107.94 4ubp s THR 73 Ca 0.00 -0.93 -0.09 0.00 -1.18 0.00 0.00 61.69 59.48 4ubp s THR 73 Cb 0.00 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.43 4ubp s THR 73 CO 0.00 0.00 0.20 0.00 -0.54 0.00 0.00 174.62 174.28 4ubp s ALA 74 N -2.66 -0.32 -0.13 3.99 0.00 -1.26 -1.27 121.76 120.10 4ubp s ALA 74 Ca 0.61 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 4ubp s ALA 74 Cb -0.07 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 4ubp s ALA 74 CO 0.38 -0.43 0.13 0.00 0.00 0.00 0.00 175.76 175.84 4ubp s ALA 75 N -3.17 3.82 -0.10 0.00 0.00 0.00 -4.89 121.76 117.42 4ubp s ALA 75 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.31 4ubp s ALA 75 Cb 0.02 -1.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 4ubp s ALA 75 CO -0.07 0.53 -0.11 0.50 0.00 0.00 0.00 175.76 176.60 4ubp s ARG 76 N -0.75 3.12 -0.28 0.00 3.52 -1.26 -0.71 118.95 122.58 4ubp s ARG 76 Ca 0.13 -0.64 0.03 0.00 -0.13 0.00 0.00 55.73 55.12 4ubp s ARG 76 Cb -0.12 -2.60 0.07 0.00 -1.56 0.00 0.00 34.95 30.74 4ubp s ARG 76 CO 0.03 0.38 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.77 4ubp s PHE 77 N -0.08 3.36 0.87 5.12 0.40 0.91 -5.00 117.98 123.56 4ubp s PHE 77 Ca -0.01 -2.40 -0.11 0.00 -0.60 0.00 0.00 56.93 53.81 4ubp s PHE 77 Cb -0.14 -2.14 0.12 0.00 0.51 0.00 0.00 43.02 41.37 4ubp s PHE 77 CO 0.03 -0.89 1.09 -1.21 0.70 0.00 0.00 175.22 174.95 4ubp s GLU 78 N 1.08 1.42 -0.07 0.44 0.41 -1.26 -1.19 118.70 119.54 4ubp s GLU 78 Ca -0.05 1.00 -0.35 0.00 -0.41 0.00 0.00 54.97 55.15 4ubp s GLU 78 Cb -0.20 -1.81 -0.13 0.00 -1.78 0.00 0.00 34.13 30.20 4ubp s GLU 78 CO -0.05 -2.18 1.76 -2.30 -0.49 0.00 0.00 175.26 172.00 4ubp n PRO 79 N -3.86 1.89 -0.77 0.39 -0.02 -1.26 -0.93 135.00 130.43 4ubp n PRO 79 Ca 0.08 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 4ubp n PRO 79 Cb 0.54 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 4ubp n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4ubp n GLY 80 N 4.04 1.11 3.73 -1.23 0.00 -0.40 -5.01 105.19 107.43 4ubp n GLY 80 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 4ubp n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4ubp s GLU 81 N -0.14 4.64 -0.10 1.61 2.12 -0.11 -4.72 118.70 122.00 4ubp s GLU 81 Ca 0.00 1.38 0.03 0.00 0.36 0.00 0.00 54.97 56.74 4ubp s GLU 81 Cb 0.00 -3.39 -0.00 0.00 0.26 0.00 0.00 34.13 30.99 4ubp s GLU 81 CO 0.00 0.17 -0.21 -2.00 -0.54 0.00 0.00 175.26 172.68 4ubp s GLU 82 N 0.19 3.10 0.20 4.30 2.12 -1.26 -0.65 118.70 126.71 4ubp s GLU 82 Ca 0.46 -0.83 -0.15 0.00 0.36 0.00 0.00 54.97 54.81 4ubp s GLU 82 Cb -0.22 -2.37 0.01 0.00 0.26 0.00 0.00 34.13 31.81 4ubp s GLU 82 CO 0.28 0.20 0.47 0.00 -0.54 0.00 0.00 175.26 175.67 4ubp s MET 83 N 0.31 1.39 0.20 4.30 0.23 -0.49 -4.97 119.30 120.27 4ubp s MET 83 Ca -0.16 -1.02 -0.12 0.00 -1.03 0.00 0.00 55.69 53.36 4ubp s MET 83 Cb -0.17 0.48 -0.07 0.00 -1.53 0.00 0.00 34.83 33.54 4ubp s MET 83 CO 0.08 -0.57 0.56 -1.21 -2.03 0.00 0.00 175.02 171.85 4ubp s GLU 84 N -3.93 3.89 0.16 3.16 2.02 -1.26 -1.07 118.70 121.67 4ubp s GLU 84 Ca 0.14 0.39 0.05 0.00 0.02 0.00 0.00 54.97 55.57 4ubp s GLU 84 Cb -0.00 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 4ubp s GLU 84 CO 0.01 0.37 -0.11 0.14 0.02 0.00 0.00 175.26 175.69 4ubp s VAL 85 N -1.69 1.29 -0.16 2.63 -7.23 0.08 -4.96 120.40 110.36 4ubp s VAL 85 Ca 0.44 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 4ubp s VAL 85 Cb -0.13 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 4ubp s VAL 85 CO 0.20 -0.71 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.53 4ubp s GLU 86 N -3.73 3.59 0.14 4.82 2.12 -1.26 -1.53 118.70 122.85 4ubp s GLU 86 Ca 0.18 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 54.99 4ubp s GLU 86 Cb 0.02 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 4ubp s GLU 86 CO 0.02 0.17 0.17 -0.51 -0.54 0.00 0.00 175.26 174.57 4ubp s LEU 87 N 0.53 3.97 0.33 2.70 1.43 0.14 -0.50 118.68 127.28 4ubp s LEU 87 Ca -0.04 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 4ubp s LEU 87 Cb -0.15 -2.58 -0.07 0.00 0.03 0.00 0.00 46.19 43.43 4ubp s LEU 87 CO 0.03 0.09 -0.02 0.28 0.23 0.00 0.00 176.35 176.95 4ubp s THR 88 N -1.68 1.75 0.29 5.49 -1.32 0.11 -1.21 115.64 119.07 4ubp s THR 88 Ca 0.32 -2.08 -0.28 0.00 -1.21 0.00 0.00 61.69 58.43 4ubp s THR 88 Cb -0.11 -2.69 -0.09 0.00 -1.51 0.00 0.00 72.50 68.10 4ubp s THR 88 CO 0.25 -0.15 0.99 -1.61 -2.21 0.00 0.00 174.62 171.89 4ubp s GLU 89 N -3.74 4.63 0.73 7.08 0.41 -1.19 -1.16 118.70 125.47 4ubp s GLU 89 Ca 0.33 1.52 -0.14 0.00 -0.41 0.00 0.00 54.97 56.27 4ubp s GLU 89 Cb 0.06 -3.02 0.04 0.00 -1.78 0.00 0.00 34.13 29.43 4ubp s GLU 89 CO 0.15 0.29 1.14 -0.51 -0.49 0.00 0.00 175.26 175.83 4ubp s LEU 90 N -1.69 3.24 0.00 1.80 1.43 0.13 -4.82 118.68 118.77 4ubp s LEU 90 Ca 0.47 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 4ubp s LEU 90 Cb -0.25 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.42 4ubp s LEU 90 CO 0.31 -2.03 0.00 0.61 0.23 0.00 0.00 176.35 175.47 4ubp n GLY 91 N -0.34 5.10 7.00 -3.19 0.00 -1.26 -4.84 105.19 107.66 4ubp n GLY 91 Ca 0.11 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.36 4ubp n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4ubp n GLY 92 N 4.68 2.76 0.00 -0.02 0.00 -1.26 -1.51 105.19 109.84 4ubp n GLY 92 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.87 4ubp n GLY 92 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 4ubp n ASN 93 N 1.26 0.00 -3.68 1.61 3.02 -1.26 -4.92 115.26 111.29 4ubp n ASN 93 Ca 0.00 0.30 -0.28 0.00 -0.03 0.00 0.00 54.58 54.58 4ubp n ASN 93 Cb 0.00 -0.42 0.04 0.00 -0.61 0.00 0.00 39.78 38.78 4ubp n ASN 93 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 4ubp n ARG 94 N -1.42 -2.20 -4.30 3.52 1.74 -0.57 -4.91 116.66 108.52 4ubp n ARG 94 Ca 0.08 0.51 -0.18 0.00 -0.77 0.00 0.00 57.85 57.49 4ubp n ARG 94 Cb 0.24 -4.50 -0.14 0.00 -1.02 0.00 0.00 32.46 27.04 4ubp n ARG 94 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 4ubp s GLU 95 N -5.92 0.75 -0.03 5.56 2.02 -1.26 -1.58 118.70 118.23 4ubp s GLU 95 Ca 0.33 -0.55 0.02 0.00 0.02 0.00 0.00 54.97 54.80 4ubp s GLU 95 Cb -0.11 -0.70 0.01 0.00 0.10 0.00 0.00 34.13 33.43 4ubp s GLU 95 CO 0.85 0.18 -0.09 0.08 0.02 0.00 0.00 175.26 176.30 4ubp s VAL 96 N -0.64 0.78 0.07 2.63 1.01 -0.12 -4.93 120.40 119.20 4ubp s VAL 96 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.72 4ubp s VAL 96 Cb -0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 4ubp s VAL 96 CO 0.00 0.25 -0.18 -0.36 0.00 0.00 0.00 175.10 174.81 4ubp s PHE 97 N 0.36 1.60 0.00 5.22 0.08 -1.26 -0.77 117.98 123.21 4ubp s PHE 97 Ca -0.06 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.59 4ubp s PHE 97 Cb -0.10 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.43 4ubp s PHE 97 CO 0.01 0.12 0.00 0.41 -0.10 0.00 0.00 175.22 175.65 4ubp n GLY 98 N 1.50 1.30 6.84 4.36 0.00 -1.26 -4.90 105.19 113.04 4ubp n GLY 98 Ca -0.19 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.12 4ubp n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 4ubp n ILE 99 N 0.00 0.00 0.25 -0.61 5.41 -1.26 -0.38 119.36 122.77 4ubp n ILE 99 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.83 4ubp n ILE 99 Cb 0.00 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 39.08 4ubp n ILE 99 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 4ubp n SER 100 N 7.57 2.88 -2.15 4.38 7.64 -1.26 -4.96 113.62 127.72 4ubp n SER 100 Ca 0.00 -1.84 -0.17 0.00 1.01 0.00 0.00 58.87 57.86 4ubp n SER 100 Cb 0.00 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.04 4ubp n SER 100 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 4ubp n ASP 101 N 1.00 -5.09 0.07 6.43 8.00 0.49 -4.91 116.55 122.54 4ubp n ASP 101 Ca 0.14 -0.11 0.11 0.00 0.71 0.00 0.00 54.79 55.64 4ubp n ASP 101 Cb 0.47 -4.08 -0.05 0.00 -0.02 0.00 0.00 41.12 37.44 4ubp n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 4ubp n LEU 102 N -2.78 0.64 0.00 0.64 4.77 -1.26 -4.75 117.00 114.26 4ubp n LEU 102 Ca -0.15 0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 56.05 4ubp n LEU 102 Cb 0.63 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 4ubp n LEU 102 CO 0.29 -0.12 -0.17 0.41 -1.33 0.00 0.00 177.39 176.47 4ubp n THR 103 N -2.59 1.01 -4.07 -5.08 -1.04 -1.26 -4.30 114.28 96.95 4ubp n THR 103 Ca -0.02 0.28 -0.45 0.00 -2.04 0.00 0.00 64.05 61.82 4ubp n THR 103 Cb 0.57 -1.67 0.02 0.00 -1.82 0.00 0.00 70.33 67.42 4ubp n THR 103 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 4ubp n ASN 104 N -3.50 -3.96 0.00 8.00 3.02 0.05 -4.74 115.26 114.14 4ubp n ASN 104 Ca -0.03 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 4ubp n ASN 104 Cb 0.13 -1.77 0.00 0.00 -0.61 0.00 0.00 39.78 37.53 4ubp n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 4ubp n GLY 105 N -2.10 0.01 3.77 7.41 0.00 -0.28 -4.97 105.19 109.03 4ubp n GLY 105 Ca -0.12 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 4ubp n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4ubp s SER 106 N -4.00 6.16 0.00 1.61 0.15 -1.26 -0.95 113.70 115.41 4ubp s SER 106 Ca 0.00 2.52 0.28 0.00 0.70 0.00 0.00 55.95 59.46 4ubp s SER 106 Cb 0.00 -2.62 1.50 0.00 -1.71 0.00 0.00 66.02 63.19 4ubp s SER 106 CO 0.00 -0.94 1.99 1.33 1.20 0.00 0.00 173.24 176.82 4ubp n VAL 107 N -0.21 0.07 0.38 4.45 0.24 -0.62 -3.01 118.33 119.63 4ubp n VAL 107 Ca 0.06 0.02 0.13 0.00 -2.04 0.00 0.00 64.34 62.51 4ubp n VAL 107 Cb 0.45 -0.56 0.52 0.00 -1.47 0.00 0.00 33.84 32.79 4ubp n VAL 107 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 4ubp h ASP 108 N 0.00 0.00 -0.49 -1.34 3.32 -1.90 -3.37 116.42 112.64 4ubp h ASP 108 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 4ubp h ASP 108 Cb 0.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 4ubp h ASP 108 CO 0.00 0.00 3.25 0.59 -1.72 0.00 0.00 179.24 181.36 4ubp n ASN 109 N -2.49 8.37 -0.21 6.45 3.02 -1.17 -4.76 115.26 124.48 4ubp n ASN 109 Ca 0.02 -2.81 -0.04 0.00 -0.03 0.00 0.00 54.58 51.72 4ubp n ASN 109 Cb 0.28 -1.48 0.06 0.00 -0.61 0.00 0.00 39.78 38.03 4ubp n ASN 109 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 4ubp h LYS 110 N 4.86 0.69 -0.92 3.52 1.57 -1.89 -1.67 116.57 122.73 4ubp h LYS 110 Ca 0.80 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.54 4ubp h LYS 110 Cb 0.30 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 4ubp h LYS 110 CO 1.66 0.46 0.58 1.49 -0.57 0.00 0.00 179.45 183.07 4ubp h GLU 111 N 0.71 1.23 -0.34 3.15 4.81 -1.96 -0.88 114.58 121.30 4ubp h GLU 111 Ca 0.25 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.23 4ubp h GLU 111 Cb 0.05 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 4ubp h GLU 111 CO -0.11 0.84 -0.38 1.25 -0.73 0.00 0.00 179.01 179.87 4ubp h LEU 112 N 1.25 0.92 -0.41 1.64 5.85 -1.88 -0.91 115.31 121.78 4ubp h LEU 112 Ca 0.33 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 4ubp h LEU 112 Cb -0.10 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 4ubp h LEU 112 CO -0.07 1.22 0.24 0.40 -0.34 0.00 0.00 178.44 179.89 4ubp h ILE 113 N 0.65 1.14 -0.45 4.05 2.04 -1.01 -1.06 117.51 122.86 4ubp h ILE 113 Ca 0.05 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 4ubp h ILE 113 Cb 0.97 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 4ubp h ILE 113 CO 0.09 0.14 -0.09 -0.07 0.00 0.00 0.00 178.15 178.22 4ubp h LEU 114 N 0.53 0.80 -0.26 1.44 3.38 -1.10 -0.05 115.31 120.05 4ubp h LEU 114 Ca 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.88 4ubp h LEU 114 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 4ubp h LEU 114 CO -0.03 0.92 0.17 -0.61 0.09 0.00 0.00 178.44 178.99 4ubp h GLN 115 N 0.74 0.34 -0.45 1.13 4.15 -0.89 0.18 115.11 120.31 4ubp h GLN 115 Ca 0.13 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 4ubp h GLN 115 Cb 0.58 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 4ubp h GLN 115 CO 0.04 0.23 0.13 0.00 -1.93 0.00 0.00 178.83 177.29 4ubp h ARG 116 N 0.35 0.72 -0.43 1.69 3.08 -0.86 -1.76 114.38 117.16 4ubp h ARG 116 Ca 0.09 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.01 4ubp h ARG 116 Cb -0.03 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 4ubp h ARG 116 CO -0.02 0.70 0.24 0.00 -1.07 0.00 0.00 179.97 179.82 4ubp h ALA 117 N 0.98 0.54 -0.47 0.04 0.00 -0.73 -1.93 119.26 117.71 4ubp h ALA 117 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 4ubp h ALA 117 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 4ubp h ALA 117 CO -0.00 -0.10 0.11 -0.22 0.00 0.00 0.00 179.25 179.04 4ubp h LYS 118 N 0.48 0.75 -0.34 0.00 3.64 -0.50 -1.20 116.57 119.41 4ubp h LYS 118 Ca 0.18 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 4ubp h LYS 118 Cb 0.05 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 4ubp h LYS 118 CO -0.10 0.74 0.07 1.49 -2.27 0.00 0.00 179.45 179.37 4ubp h GLU 119 N 0.63 0.49 -0.02 1.90 4.57 -1.11 -2.20 114.58 118.83 4ubp h GLU 119 Ca 0.15 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 4ubp h GLU 119 Cb 0.33 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 4ubp h GLU 119 CO 0.00 0.47 0.00 1.28 -1.18 0.00 0.00 179.01 179.58 4ubp n LEU 120 N -4.34 1.34 0.00 1.64 4.77 -0.74 -4.96 117.00 114.70 4ubp n LEU 120 Ca 0.02 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 4ubp n LEU 120 Cb 0.19 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 4ubp n LEU 120 CO 0.38 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 4ubp n GLY 121 N 1.15 0.49 3.62 -0.72 0.00 -0.83 -5.02 105.19 103.89 4ubp n GLY 121 Ca 0.19 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 4ubp n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4ubp s TYR 122 N -2.00 2.45 0.36 1.61 1.51 -0.51 -4.79 117.35 115.98 4ubp s TYR 122 Ca 0.00 0.74 -0.28 0.00 -1.01 0.00 0.00 57.07 56.52 4ubp s TYR 122 Cb 0.00 -4.01 -0.10 0.00 -0.11 0.00 0.00 41.96 37.75 4ubp s TYR 122 CO 0.00 -2.13 1.29 0.15 -1.11 0.00 0.00 175.55 173.75 4ubp s LYS 123 N 4.49 4.21 0.00 -0.62 1.02 -0.57 -4.02 119.74 124.25 4ubp s LYS 123 Ca 0.62 2.16 0.00 0.00 0.02 0.00 0.00 55.97 58.77 4ubp s LYS 123 Cb -0.18 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 4ubp s LYS 123 CO 0.27 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 4ubp n GLY 124 N 0.75 1.11 3.65 -3.33 0.00 -1.26 -3.85 105.19 102.26 4ubp n GLY 124 Ca 0.01 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 4ubp n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4ubp s VAL 125 N -2.00 4.81 0.00 1.61 1.01 -1.26 -1.83 120.40 122.75 4ubp s VAL 125 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.63 4ubp s VAL 125 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.23 4ubp s VAL 125 CO 0.00 -0.08 0.00 -1.84 0.00 0.00 0.00 175.10 173.18