#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhp s SER 2 N 0.00 -0.62 0.67 1.61 0.15 -1.26 -5.16 113.70 109.10 1uhp s SER 2 Ca 0.00 0.53 -0.16 0.00 0.70 0.00 0.00 55.95 57.01 1uhp s SER 2 Cb 0.00 1.57 0.01 0.00 -1.71 0.00 0.00 66.02 65.89 1uhp s SER 2 CO 0.00 -0.12 1.20 -0.44 1.20 0.00 0.00 173.24 175.08 1uhp s SER 3 N 2.76 4.67 -0.01 5.45 0.01 -1.26 -5.02 113.70 120.31 1uhp s SER 3 Ca 0.02 2.33 -0.02 0.00 1.31 0.00 0.00 55.95 59.58 1uhp s SER 3 Cb -0.09 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1uhp s SER 3 CO -0.15 -1.94 0.17 -0.83 0.41 0.00 0.00 173.24 170.90 1uhp s GLY 4 N -1.94 2.16 -0.46 3.44 0.00 -1.26 -4.68 107.32 104.58 1uhp s GLY 4 Ca 0.75 -0.78 -0.32 0.00 0.00 0.00 0.00 44.72 44.37 1uhp s GLY 4 CO 0.40 -0.66 0.65 -1.26 0.00 0.00 0.00 173.10 172.23 1uhp n SER 5 N 0.98 -6.15 -4.52 1.64 2.88 -1.26 -4.80 113.62 102.39 1uhp n SER 5 Ca -0.11 -0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.00 1uhp n SER 5 Cb 0.53 -2.68 -0.02 0.00 -0.75 0.00 0.00 64.21 61.29 1uhp n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uhp s SER 6 N -1.83 6.69 0.00 -3.46 0.01 -1.26 -4.97 113.70 108.87 1uhp s SER 6 Ca 0.33 -2.04 0.00 0.00 1.31 0.00 0.00 55.95 55.55 1uhp s SER 6 Cb -0.05 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1uhp s SER 6 CO 0.85 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1uhp n GLY 7 N 5.78 -2.42 3.03 3.44 0.00 -1.26 -5.07 105.19 108.69 1uhp n GLY 7 Ca 0.34 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 1uhp n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uhp s LYS 8 N 0.00 0.45 -0.18 1.61 3.01 -0.52 -5.01 119.74 119.10 1uhp s LYS 8 Ca 0.00 -0.71 0.01 0.00 -1.01 0.00 0.00 55.97 54.26 1uhp s LYS 8 Cb 0.00 -0.13 0.02 0.00 -1.01 0.00 0.00 37.83 36.71 1uhp s LYS 8 CO 0.00 0.01 -0.18 -1.54 0.51 0.00 0.00 175.35 174.15 1uhp s SER 9 N -1.56 3.18 0.12 2.83 1.04 -1.26 0.40 113.70 118.44 1uhp s SER 9 Ca -0.12 -0.70 0.06 0.00 0.48 0.00 0.00 55.95 55.67 1uhp s SER 9 Cb -0.10 -1.42 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 1uhp s SER 9 CO -0.00 -0.03 -0.03 -0.76 0.98 0.00 0.00 173.24 173.40 1uhp s LEU 10 N 1.31 3.31 -0.09 2.42 1.43 -0.33 -4.94 118.68 121.79 1uhp s LEU 10 Ca 0.04 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1uhp s LEU 10 Cb -0.14 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1uhp s LEU 10 CO -0.12 0.15 0.12 -0.89 0.23 0.00 0.00 176.35 175.84 1uhp s THR 11 N -1.39 5.23 -0.02 5.49 2.01 -1.26 -1.12 115.64 124.58 1uhp s THR 11 Ca 0.25 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.27 1uhp s THR 11 Cb -0.11 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.12 1uhp s THR 11 CO 0.17 0.56 0.06 -1.48 -0.69 0.00 0.00 174.62 173.24 1uhp s LEU 12 N -1.16 1.61 -0.32 4.42 0.05 0.50 -4.97 118.68 118.81 1uhp s LEU 12 Ca 0.17 0.11 -0.13 0.00 0.05 0.00 0.00 54.13 54.33 1uhp s LEU 12 Cb -0.12 0.16 -0.03 0.00 -2.05 0.00 0.00 46.19 44.16 1uhp s LEU 12 CO 0.06 -0.04 0.26 0.54 -0.55 0.00 0.00 176.35 176.62 1uhp s VAL 13 N 0.27 5.26 0.19 1.48 0.11 -1.21 0.13 120.40 126.62 1uhp s VAL 13 Ca -0.02 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.11 1uhp s VAL 13 Cb -0.03 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.10 1uhp s VAL 13 CO -0.01 0.06 0.06 -0.76 -3.33 0.00 0.00 175.10 171.12 1uhp s LEU 14 N 1.82 3.49 -0.01 2.54 1.43 0.11 -3.59 118.68 124.47 1uhp s LEU 14 Ca 0.08 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 1uhp s LEU 14 Cb -0.17 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 1uhp s LEU 14 CO 0.11 0.06 -0.12 -1.00 0.23 0.00 0.00 176.35 175.63 1uhp s HIS 15 N -1.83 1.12 -0.60 0.29 3.76 -1.26 -1.54 115.29 115.23 1uhp s HIS 15 Ca 0.29 -0.21 -0.17 0.00 -0.15 0.00 0.00 55.06 54.82 1uhp s HIS 15 Cb -0.09 -0.72 0.13 0.00 1.11 0.00 0.00 32.58 33.01 1uhp s HIS 15 CO 0.21 -0.02 0.61 -0.98 -0.85 0.00 0.00 174.74 173.71 1uhp s ARG 16 N -0.29 3.09 -0.55 1.40 1.04 -1.26 -4.16 118.95 118.23 1uhp s ARG 16 Ca 0.05 -1.67 -0.27 0.00 -1.04 0.00 0.00 55.73 52.79 1uhp s ARG 16 Cb -0.05 -4.32 0.03 0.00 -2.04 0.00 0.00 34.95 28.57 1uhp s ARG 16 CO -0.00 -1.41 1.12 0.34 -0.04 0.00 0.00 175.30 175.31 1uhp s ASP 17 N 3.45 6.46 -1.39 -2.89 2.15 0.14 -3.82 116.67 120.77 1uhp s ASP 17 Ca 0.08 0.08 -0.04 0.00 0.43 0.00 0.00 52.55 53.11 1uhp s ASP 17 Cb -0.25 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 39.87 1uhp s ASP 17 CO 0.02 -1.37 0.69 -0.24 -0.17 0.00 0.00 175.17 174.10 1uhp n SER 18 N 8.09 -1.75 -2.29 -0.34 2.88 -1.26 -1.58 113.62 117.38 1uhp n SER 18 Ca 0.08 -0.87 -0.12 0.00 -1.33 0.00 0.00 58.87 56.63 1uhp n SER 18 Cb 0.49 -3.72 0.05 0.00 -0.75 0.00 0.00 64.21 60.27 1uhp n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhp n GLY 19 N -1.69 0.07 2.87 0.46 0.00 -1.25 -5.02 105.19 100.62 1uhp n GLY 19 Ca -0.22 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1uhp n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uhp s SER 20 N -3.39 0.65 0.30 1.61 0.15 -0.61 -5.00 113.70 107.41 1uhp s SER 20 Ca 0.21 -0.09 0.10 0.00 0.70 0.00 0.00 55.95 56.88 1uhp s SER 20 Cb -0.09 0.91 0.47 0.00 -1.71 0.00 0.00 66.02 65.60 1uhp s SER 20 CO 0.41 -0.33 1.68 -0.07 1.20 0.00 0.00 173.24 176.14 1uhp h LEU 21 N 8.21 0.06 0.00 3.45 -0.00 -1.85 0.40 115.31 125.58 1uhp h LEU 21 Ca -0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1uhp h LEU 21 Cb 1.14 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 1uhp h LEU 21 CO 0.28 0.57 0.00 0.61 -0.00 0.00 0.00 178.44 179.90 1uhp n GLY 22 N -0.03 1.93 0.00 0.83 0.00 -1.26 -2.07 105.19 104.60 1uhp n GLY 22 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1uhp n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1uhp n PHE 23 N -0.93 -0.48 -3.92 1.61 -1.74 -1.26 0.20 117.46 110.94 1uhp n PHE 23 Ca 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.80 1uhp n PHE 23 Cb 0.00 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 40.93 1uhp n PHE 23 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1uhp s ASN 24 N -0.91 0.08 0.20 5.98 -0.87 -0.79 -4.90 114.94 113.74 1uhp s ASN 24 Ca 0.00 -0.79 0.05 0.00 -1.57 0.00 0.00 52.86 50.55 1uhp s ASN 24 Cb 0.00 0.39 -0.05 0.00 -0.02 0.00 0.00 41.25 41.58 1uhp s ASN 24 CO 0.00 -0.82 -0.06 0.27 -2.57 0.00 0.00 177.10 173.91 1uhp s ILE 25 N -3.93 1.24 0.29 0.60 -4.36 -1.26 -3.20 121.20 110.58 1uhp s ILE 25 Ca 0.12 -2.08 0.05 0.00 -0.26 0.00 0.00 60.65 58.49 1uhp s ILE 25 Cb 0.04 -2.14 -0.06 0.00 1.25 0.00 0.00 42.46 41.55 1uhp s ILE 25 CO -0.04 -0.51 -0.02 0.27 0.24 0.00 0.00 174.94 174.88 1uhp s ILE 26 N -3.28 1.46 0.00 8.37 -4.36 0.45 -4.82 121.20 119.02 1uhp s ILE 26 Ca 0.24 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 1uhp s ILE 26 Cb 0.03 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1uhp s ILE 26 CO 0.06 -0.22 0.00 0.61 0.24 0.00 0.00 174.94 175.63 1uhp n GLY 27 N -0.60 0.32 3.81 6.27 0.00 -1.26 -2.07 105.19 111.67 1uhp n GLY 27 Ca -0.05 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.68 1uhp n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uhp n GLY 28 N 0.00 1.70 3.95 -0.02 0.00 -1.25 -4.22 105.19 105.34 1uhp n GLY 28 Ca 0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1uhp n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uhp s ARG 29 N 0.00 3.41 -0.73 1.61 0.52 -1.26 -4.91 118.95 117.59 1uhp s ARG 29 Ca 0.00 -0.39 -0.26 0.00 -0.52 0.00 0.00 55.73 54.56 1uhp s ARG 29 Cb 0.00 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.82 1uhp s ARG 29 CO 0.00 0.09 1.59 -1.25 0.02 0.00 0.00 175.30 175.74 1uhp s PRO 30 N -4.34 2.94 0.19 3.54 0.04 -1.26 -4.50 135.00 131.62 1uhp s PRO 30 Ca 0.41 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1uhp s PRO 30 Cb -0.10 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.99 1uhp s PRO 30 CO 0.36 -2.50 0.00 0.45 0.04 0.00 0.00 177.00 175.35 1uhp n SER 31 N 11.10 -0.28 -3.17 6.66 2.88 -1.26 -4.99 113.62 124.56 1uhp n SER 31 Ca 0.16 0.34 -0.22 0.00 -1.33 0.00 0.00 58.87 57.81 1uhp n SER 31 Cb 0.50 0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 64.34 1uhp n SER 31 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1uhp n VAL 32 N -3.12 0.57 0.10 2.46 0.24 -1.26 -4.86 118.33 112.46 1uhp n VAL 32 Ca 0.00 -4.69 0.00 0.00 -2.04 0.00 0.00 64.34 57.61 1uhp n VAL 32 Cb 0.00 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 1uhp n VAL 32 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1uhp n ASP 33 N 0.54 -0.08 -1.24 -1.34 8.00 -1.26 -4.87 116.55 116.30 1uhp n ASP 33 Ca 0.26 0.34 0.15 0.00 0.71 0.00 0.00 54.79 56.25 1uhp n ASP 33 Cb 0.55 0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.84 1uhp n ASP 33 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uhp n ASN 34 N -3.21 -6.82 -4.55 -2.24 3.02 -1.26 -4.60 115.26 95.61 1uhp n ASN 34 Ca 0.00 1.21 -0.42 0.00 -0.03 0.00 0.00 54.58 55.34 1uhp n ASN 34 Cb 0.00 -4.24 -0.03 0.00 -0.61 0.00 0.00 39.78 34.90 1uhp n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1uhp s HIS 35 N -4.00 2.57 -0.12 3.10 -3.43 -1.26 -4.67 115.29 107.48 1uhp s HIS 35 Ca 0.00 0.11 -0.09 0.00 -0.80 0.00 0.00 55.06 54.28 1uhp s HIS 35 Cb 0.00 -4.42 0.04 0.00 -1.43 0.00 0.00 32.58 26.77 1uhp s HIS 35 CO 0.00 -1.66 0.31 0.34 -2.00 0.00 0.00 174.74 171.73 1uhp s ASP 36 N 3.19 -0.34 0.24 7.38 -1.08 -1.26 -5.09 116.67 119.70 1uhp s ASP 36 Ca 0.36 0.65 0.00 0.00 -0.52 0.00 0.00 52.55 53.04 1uhp s ASP 36 Cb -0.10 0.61 0.00 0.00 -1.46 0.00 0.00 42.92 41.97 1uhp s ASP 36 CO 0.20 -0.14 0.00 0.61 0.52 0.00 0.00 175.17 176.36 1uhp n GLY 37 N 3.44 0.76 2.92 2.66 0.00 -1.26 -3.41 105.19 110.29 1uhp n GLY 37 Ca -0.17 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 1uhp n GLY 37 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uhp n SER 38 N -3.76 5.75 0.00 1.61 7.64 -1.26 -4.53 113.62 119.07 1uhp n SER 38 Ca 0.00 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.50 1uhp n SER 38 Cb 0.00 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 1uhp n SER 38 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uhp n SER 39 N 1.36 0.56 0.00 6.43 2.88 -1.22 -4.98 113.62 118.64 1uhp n SER 39 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1uhp n SER 39 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1uhp n SER 39 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uhp n SER 40 N -2.53 0.00 -4.41 -3.46 2.88 -1.26 -4.62 113.62 100.22 1uhp n SER 40 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1uhp n SER 40 Cb 0.25 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.58 1uhp n SER 40 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1uhp s GLU 41 N 0.00 1.66 0.10 -1.46 8.01 -1.26 -4.52 118.70 121.22 1uhp s GLU 41 Ca 0.00 -1.21 0.08 0.00 0.01 0.00 0.00 54.97 53.85 1uhp s GLU 41 Cb 0.00 -2.00 -0.03 0.00 -4.31 0.00 0.00 34.13 27.78 1uhp s GLU 41 CO 0.00 0.48 -0.21 0.20 0.01 0.00 0.00 175.26 175.74 1uhp s GLY 42 N -1.82 1.23 -0.15 -1.39 0.00 -1.26 -3.93 107.32 100.00 1uhp s GLY 42 Ca 0.14 -1.23 -0.02 0.00 0.00 0.00 0.00 44.72 43.61 1uhp s GLY 42 CO 0.06 -1.23 -0.08 -0.42 0.00 0.00 0.00 173.10 171.42 1uhp s ILE 43 N -1.15 3.41 0.04 0.90 -1.09 -1.26 -3.97 121.20 118.09 1uhp s ILE 43 Ca 0.06 -0.52 -0.03 0.00 -2.23 0.00 0.00 60.65 57.93 1uhp s ILE 43 Cb -0.10 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.28 1uhp s ILE 43 CO 0.04 0.50 0.03 -0.36 -1.23 0.00 0.00 174.94 173.92 1uhp s PHE 44 N 0.51 0.30 -0.14 3.97 0.40 -0.88 -3.34 117.98 118.80 1uhp s PHE 44 Ca -0.06 -0.66 -0.19 0.00 -0.60 0.00 0.00 56.93 55.41 1uhp s PHE 44 Cb -0.15 -0.22 -0.04 0.00 0.51 0.00 0.00 43.02 43.12 1uhp s PHE 44 CO 0.03 -0.32 0.55 0.08 0.70 0.00 0.00 175.22 176.26 1uhp s VAL 45 N -2.65 5.12 0.00 -0.44 1.01 0.21 0.17 120.40 123.82 1uhp s VAL 45 Ca -0.05 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1uhp s VAL 45 Cb -0.01 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1uhp s VAL 45 CO -0.05 0.24 0.61 -0.24 0.00 0.00 0.00 175.10 175.66 1uhp n SER 46 N 4.19 1.16 -3.55 3.32 2.88 -1.20 -0.39 113.62 120.04 1uhp n SER 46 Ca -0.05 -1.32 -0.17 0.00 -1.33 0.00 0.00 58.87 56.00 1uhp n SER 46 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.91 1uhp n SER 46 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1uhp s LYS 47 N -0.32 1.01 -0.22 -1.46 2.20 -1.25 -4.96 119.74 114.75 1uhp s LYS 47 Ca 0.00 0.32 -0.06 0.00 -0.36 0.00 0.00 55.97 55.87 1uhp s LYS 47 Cb 0.00 0.48 0.11 0.00 -1.51 0.00 0.00 37.83 36.90 1uhp s LYS 47 CO 0.00 -0.30 0.42 0.42 -0.36 0.00 0.00 175.35 175.54 1uhp s ILE 48 N -1.01 -0.66 -0.12 5.43 1.01 -1.26 -1.88 121.20 122.70 1uhp s ILE 48 Ca -0.10 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 1uhp s ILE 48 Cb -0.01 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1uhp s ILE 48 CO 0.09 0.02 1.46 -0.69 0.00 0.00 0.00 174.94 175.82 1uhp s VAL 49 N 2.62 3.92 0.00 2.92 1.01 0.54 -4.93 120.40 126.49 1uhp s VAL 49 Ca 0.02 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1uhp s VAL 49 Cb -0.13 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1uhp s VAL 49 CO -0.14 -0.12 0.85 0.47 0.00 0.00 0.00 175.10 176.15 1uhp n ASP 50 N 7.00 0.00 0.28 3.32 8.00 -1.26 -0.36 116.55 133.53 1uhp n ASP 50 Ca 0.16 0.85 0.18 0.00 0.71 0.00 0.00 54.79 56.68 1uhp n ASP 50 Cb 0.44 -0.35 0.87 0.00 -0.02 0.00 0.00 41.12 42.07 1uhp n ASP 50 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1uhp h SER 51 N 0.00 0.00 -2.30 -2.24 0.87 -1.94 -3.32 113.55 104.62 1uhp h SER 51 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.96 1uhp h SER 51 Cb 0.00 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 62.12 1uhp h SER 51 CO 0.00 0.00 -0.57 0.61 -0.53 0.00 0.00 176.83 176.34 1uhp n GLY 52 N -1.27 -1.87 0.00 5.77 0.00 0.52 -4.71 105.19 103.63 1uhp n GLY 52 Ca -0.00 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1uhp n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uhp n PRO 53 N 0.70 0.50 0.08 1.61 -0.04 -1.24 -2.10 135.00 134.51 1uhp n PRO 53 Ca 0.11 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1uhp n PRO 53 Cb 0.42 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1uhp n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uhp n ALA 54 N -1.16 2.62 -0.08 0.55 0.00 -0.88 -1.24 120.51 120.32 1uhp n ALA 54 Ca 0.14 -0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1uhp n ALA 54 Cb 0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1uhp n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uhp n ALA 55 N -2.17 0.63 -1.00 0.00 0.00 -0.89 -1.90 120.51 115.18 1uhp n ALA 55 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1uhp n ALA 55 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1uhp n ALA 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1uhp n LYS 56 N -4.47 0.00 -0.04 0.00 2.85 -0.90 -3.44 118.16 112.15 1uhp n LYS 56 Ca -0.10 0.36 -0.22 0.00 -1.05 0.00 0.00 58.31 57.30 1uhp n LYS 56 Cb 0.37 -0.86 -0.13 0.00 -0.65 0.00 0.00 35.03 33.76 1uhp n LYS 56 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1uhp n GLU 57 N -0.72 0.68 -0.01 -1.58 1.02 -1.25 -4.40 120.64 114.37 1uhp n GLU 57 Ca 0.00 0.37 -0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1uhp n GLU 57 Cb 0.00 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 1uhp n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uhp n GLY 58 N 1.78 -0.08 1.41 0.62 0.00 -0.37 -4.66 105.19 103.89 1uhp n GLY 58 Ca -0.34 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1uhp n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uhp n GLY 59 N -1.02 0.75 3.66 -0.02 0.00 -0.80 -3.33 105.19 104.44 1uhp n GLY 59 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1uhp n GLY 59 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uhp s LEU 60 N 0.00 1.43 -0.29 0.99 2.96 -0.82 -5.01 118.68 117.94 1uhp s LEU 60 Ca 0.00 1.13 -0.14 0.00 -0.22 0.00 0.00 54.13 54.89 1uhp s LEU 60 Cb 0.00 -3.24 0.11 0.00 0.50 0.00 0.00 46.19 43.56 1uhp s LEU 60 CO 0.00 -3.31 0.75 -1.10 -1.32 0.00 0.00 176.35 171.38 1uhp s GLN 61 N -4.98 0.58 0.48 1.98 -0.21 -1.26 -4.83 119.66 111.43 1uhp s GLN 61 Ca 0.66 1.16 -0.17 0.00 0.02 0.00 0.00 55.36 57.03 1uhp s GLN 61 Cb -0.18 0.36 -0.14 0.00 1.00 0.00 0.00 33.01 34.05 1uhp s GLN 61 CO 0.58 -0.15 -0.13 -0.89 -2.12 0.00 0.00 175.29 172.58 1uhp n ILE 62 N 4.59 0.00 -2.93 1.08 5.41 -1.26 -2.85 119.36 123.39 1uhp n ILE 62 Ca -0.17 -0.47 -0.11 0.00 1.00 0.00 0.00 62.75 63.00 1uhp n ILE 62 Cb 0.55 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 39.53 1uhp n ILE 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1uhp n HIS 63 N -1.44 -1.40 -4.95 1.39 8.25 0.47 -4.99 115.22 112.55 1uhp n HIS 63 Ca 0.07 0.55 -0.31 0.00 -0.26 0.00 0.00 57.72 57.77 1uhp n HIS 63 Cb 0.45 -3.55 -0.14 0.00 1.12 0.00 0.00 29.99 27.86 1uhp n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1uhp s ASP 64 N -3.53 3.54 -0.73 0.41 2.15 -1.13 -4.90 116.67 112.48 1uhp s ASP 64 Ca 0.14 -0.40 -0.07 0.00 0.43 0.00 0.00 52.55 52.64 1uhp s ASP 64 Cb -0.06 -0.54 0.19 0.00 -0.30 0.00 0.00 42.92 42.21 1uhp s ASP 64 CO 0.41 0.30 0.60 -0.60 -0.17 0.00 0.00 175.17 175.71 1uhp s ARG 65 N -0.98 3.04 0.22 4.34 3.52 -1.26 -0.62 118.95 127.20 1uhp s ARG 65 Ca 0.12 -2.58 -0.31 0.00 -0.13 0.00 0.00 55.73 52.83 1uhp s ARG 65 Cb -0.10 -4.02 -0.15 0.00 -1.56 0.00 0.00 34.95 29.12 1uhp s ARG 65 CO 0.02 -1.23 1.18 -0.89 -0.81 0.00 0.00 175.30 173.57 1uhp n ILE 66 N 3.56 1.18 -0.08 4.11 5.41 -1.21 -3.08 119.36 129.25 1uhp n ILE 66 Ca 0.11 -0.30 -0.13 0.00 1.00 0.00 0.00 62.75 63.44 1uhp n ILE 66 Cb 0.41 -1.02 -0.07 0.00 -0.71 0.00 0.00 39.64 38.26 1uhp n ILE 66 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1uhp n ILE 67 N 1.26 0.89 -3.78 1.39 2.08 0.17 -4.06 119.36 117.31 1uhp n ILE 67 Ca 0.13 -0.31 -0.12 0.00 0.56 0.00 0.00 62.75 63.01 1uhp n ILE 67 Cb 0.28 -1.22 -0.08 0.00 -0.75 0.00 0.00 39.64 37.87 1uhp n ILE 67 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1uhp s GLU 68 N -2.31 0.71 -0.09 0.38 2.56 -1.24 -2.99 118.70 115.73 1uhp s GLU 68 Ca -0.21 -0.40 -0.03 0.00 0.00 0.00 0.00 54.97 54.32 1uhp s GLU 68 Cb 0.06 0.31 0.04 0.00 2.00 0.00 0.00 34.13 36.54 1uhp s GLU 68 CO 0.34 -0.21 0.07 0.54 -0.56 0.00 0.00 175.26 175.44 1uhp s VAL 69 N -2.02 -0.09 -1.56 3.70 0.11 0.37 -0.80 120.40 120.12 1uhp s VAL 69 Ca -0.09 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1uhp s VAL 69 Cb -0.03 -0.32 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 1uhp s VAL 69 CO -0.00 -0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.57 1uhp n ASN 70 N 5.29 -5.12 0.00 3.54 2.85 0.56 0.11 115.26 122.49 1uhp n ASN 70 Ca -0.05 0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 1uhp n ASN 70 Cb 0.50 -4.19 0.00 0.00 1.24 0.00 0.00 39.78 37.33 1uhp n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1uhp n GLY 71 N -0.06 0.45 3.72 8.20 0.00 -1.25 -4.89 105.19 111.36 1uhp n GLY 71 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1uhp n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uhp s ARG 72 N -0.95 4.29 -0.03 1.61 3.52 0.31 -5.05 118.95 122.64 1uhp s ARG 72 Ca 0.00 0.25 -0.29 0.00 -0.13 0.00 0.00 55.73 55.56 1uhp s ARG 72 Cb 0.00 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 1uhp s ARG 72 CO 0.00 0.18 0.93 0.34 -0.81 0.00 0.00 175.30 175.94 1uhp s ASP 73 N 0.59 7.28 -0.01 -2.12 -1.08 -1.26 0.14 116.67 120.20 1uhp s ASP 73 Ca 0.21 1.55 0.02 0.00 -0.52 0.00 0.00 52.55 53.80 1uhp s ASP 73 Cb -0.14 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.81 1uhp s ASP 73 CO 0.07 -0.26 0.78 0.18 0.52 0.00 0.00 175.17 176.45 1uhp n LEU 74 N 4.04 0.86 -0.27 -1.34 4.77 -1.16 -4.69 117.00 119.21 1uhp n LEU 74 Ca 0.05 -1.03 -0.02 0.00 -0.03 0.00 0.00 56.01 54.98 1uhp n LEU 74 Cb 0.51 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.66 1uhp n LEU 74 CO 0.51 0.25 1.16 0.77 -1.33 0.00 0.00 177.39 178.76 1uhp h SER 75 N 0.00 0.78 -0.25 -1.43 4.64 -1.70 -2.29 113.55 113.30 1uhp h SER 75 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1uhp h SER 75 Cb 0.88 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1uhp h SER 75 CO 0.00 0.53 -0.01 -2.11 -0.87 0.00 0.00 176.83 174.37 1uhp n ARG 76 N -4.63 2.56 -2.64 4.77 1.85 -1.26 -3.99 116.66 113.32 1uhp n ARG 76 Ca 0.09 -2.87 -0.21 0.00 -1.00 0.00 0.00 57.85 53.86 1uhp n ARG 76 Cb 0.10 -1.80 0.05 0.00 -1.05 0.00 0.00 32.46 29.75 1uhp n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uhp s ALA 77 N -2.90 3.89 0.36 2.89 0.00 -0.86 -4.41 121.76 120.73 1uhp s ALA 77 Ca 0.41 -1.43 0.08 0.00 0.00 0.00 0.00 51.96 51.02 1uhp s ALA 77 Cb 0.35 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 1uhp s ALA 77 CO 0.07 -0.88 0.30 -0.08 0.00 0.00 0.00 175.76 175.16 1uhp s THR 78 N -2.83 3.20 0.33 0.00 -1.32 -1.26 -4.11 115.64 109.66 1uhp s THR 78 Ca 0.59 -1.41 0.09 0.00 -1.21 0.00 0.00 61.69 59.76 1uhp s THR 78 Cb -0.09 -3.10 0.32 0.00 -1.51 0.00 0.00 72.50 68.12 1uhp s THR 78 CO 0.39 -0.12 1.79 -0.74 -2.21 0.00 0.00 174.62 173.73 1uhp h HIS 79 N 1.23 0.93 0.15 9.09 2.76 -1.86 1.24 115.15 128.69 1uhp h HIS 79 Ca -0.44 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.76 1uhp h HIS 79 Cb 1.26 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.94 1uhp h HIS 79 CO 0.54 0.21 -0.07 0.22 -1.30 0.00 0.00 177.93 177.52 1uhp h ASP 80 N 0.67 -0.18 -0.16 3.26 3.58 -1.94 0.56 116.42 122.21 1uhp h ASP 80 Ca 0.56 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.93 1uhp h ASP 80 Cb 1.00 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 1uhp h ASP 80 CO -0.33 -0.06 0.02 1.56 -2.88 0.00 0.00 179.24 177.55 1uhp h GLN 81 N -0.28 0.26 0.31 0.28 4.20 -1.30 0.00 115.11 118.59 1uhp h GLN 81 Ca -0.02 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1uhp h GLN 81 Cb 0.22 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1uhp h GLN 81 CO 0.03 0.45 -0.37 0.00 -0.67 0.00 0.00 178.83 178.27 1uhp h ALA 82 N 0.81 -0.76 -0.32 3.87 0.00 0.15 0.57 119.26 123.58 1uhp h ALA 82 Ca 0.05 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1uhp h ALA 82 Cb 0.31 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1uhp h ALA 82 CO 0.00 -0.97 -0.16 0.28 0.00 0.00 0.00 179.25 178.40 1uhp h VAL 83 N -0.72 0.51 -0.60 0.00 2.07 0.15 -0.02 116.25 117.63 1uhp h VAL 83 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1uhp h VAL 83 Cb 0.67 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1uhp h VAL 83 CO -0.10 0.00 0.25 -0.08 0.02 0.00 0.00 177.57 177.66 1uhp h GLU 84 N -0.12 0.44 -0.07 1.57 4.81 -0.48 0.39 114.58 121.12 1uhp h GLU 84 Ca 0.16 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1uhp h GLU 84 Cb 0.37 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1uhp h GLU 84 CO -0.40 0.29 -0.24 0.00 -0.73 0.00 0.00 179.01 177.94 1uhp h ALA 85 N 1.38 -0.27 0.00 2.92 0.00 0.18 1.52 119.26 125.00 1uhp h ALA 85 Ca 0.29 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1uhp h ALA 85 Cb 0.31 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1uhp h ALA 85 CO -0.26 -0.72 -0.13 0.74 0.00 0.00 0.00 179.25 178.87 1uhp h PHE 86 N -0.34 0.00 0.08 0.00 0.04 -0.24 1.51 116.94 117.98 1uhp h PHE 86 Ca 0.08 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.67 1uhp h PHE 86 Cb 0.46 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.62 1uhp h PHE 86 CO -0.31 0.13 -0.77 -0.22 -0.60 0.00 0.00 178.31 176.54 1uhp h LYS 87 N 0.00 0.38 -0.00 1.51 3.64 0.21 -3.22 116.57 119.08 1uhp h LYS 87 Ca -0.00 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1uhp h LYS 87 Cb 0.34 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1uhp h LYS 87 CO 0.02 1.20 -0.19 0.25 -2.27 0.00 0.00 179.45 178.45 1uhp n THR 88 N -4.13 0.00 -2.36 1.00 -2.24 0.50 -4.88 114.28 102.16 1uhp n THR 88 Ca -0.12 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 1uhp n THR 88 Cb 0.77 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 1uhp n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uhp s ALA 89 N -2.54 2.91 0.15 6.98 0.00 0.51 -5.03 121.76 124.75 1uhp s ALA 89 Ca 0.25 0.81 0.09 0.00 0.00 0.00 0.00 51.96 53.11 1uhp s ALA 89 Cb 0.19 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1uhp s ALA 89 CO 0.51 -0.54 -0.12 0.15 0.00 0.00 0.00 175.76 175.76 1uhp s LYS 90 N -2.89 1.98 0.12 0.00 -0.14 -1.26 -4.95 119.74 112.60 1uhp s LYS 90 Ca 0.65 -1.22 -0.16 0.00 -1.36 0.00 0.00 55.97 53.88 1uhp s LYS 90 Cb -0.24 -2.16 -0.07 0.00 -1.68 0.00 0.00 37.83 33.68 1uhp s LYS 90 CO 0.29 0.45 0.56 -1.21 -0.76 0.00 0.00 175.35 174.68 1uhp s GLU 91 N -2.56 4.07 0.38 1.68 2.02 -1.26 -2.75 118.70 120.27 1uhp s GLU 91 Ca 0.22 0.60 -0.25 0.00 0.02 0.00 0.00 54.97 55.56 1uhp s GLU 91 Cb -0.10 -3.05 -0.09 0.00 0.10 0.00 0.00 34.13 30.99 1uhp s GLU 91 CO 0.14 0.54 1.06 -1.25 0.02 0.00 0.00 175.26 175.77 1uhp s PRO 92 N -1.61 4.23 -0.39 0.39 0.04 -1.26 -5.12 135.00 131.27 1uhp s PRO 92 Ca 0.34 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 62.78 1uhp s PRO 92 Cb -0.17 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.74 1uhp s PRO 92 CO 0.19 -0.10 0.37 0.42 0.04 0.00 0.00 177.00 177.92 1uhp s ILE 93 N -1.58 5.16 -0.46 0.56 1.01 -0.59 -4.95 121.20 120.36 1uhp s ILE 93 Ca 0.56 -0.30 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 1uhp s ILE 93 Cb -0.24 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.33 1uhp s ILE 93 CO 0.30 -0.27 0.99 -0.69 0.00 0.00 0.00 174.94 175.26 1uhp s VAL 94 N 1.97 4.40 0.13 2.92 1.01 -1.26 0.04 120.40 129.61 1uhp s VAL 94 Ca 0.10 0.91 0.09 0.00 0.00 0.00 0.00 61.98 63.08 1uhp s VAL 94 Cb -0.17 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 1uhp s VAL 94 CO 0.12 -0.87 -0.15 -0.69 0.00 0.00 0.00 175.10 173.51 1uhp s VAL 95 N 3.94 2.98 0.01 2.92 1.01 0.34 0.21 120.40 131.81 1uhp s VAL 95 Ca 0.40 -1.52 0.04 0.00 0.00 0.00 0.00 61.98 60.91 1uhp s VAL 95 Cb -0.09 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 1uhp s VAL 95 CO 0.27 0.05 -0.14 -1.58 0.00 0.00 0.00 175.10 173.71 1uhp s GLN 96 N -2.31 1.03 0.23 2.72 0.74 0.02 0.19 119.66 122.29 1uhp s GLN 96 Ca 0.20 -0.57 0.04 0.00 0.05 0.00 0.00 55.36 55.08 1uhp s GLN 96 Cb -0.10 -1.01 -0.05 0.00 1.10 0.00 0.00 33.01 32.95 1uhp s GLN 96 CO 0.12 0.27 -0.03 0.14 -0.55 0.00 0.00 175.29 175.24 1uhp s VAL 97 N -0.49 1.18 -0.36 1.34 -7.23 -0.27 0.45 120.40 115.02 1uhp s VAL 97 Ca 0.04 -2.06 -0.07 0.00 -1.81 0.00 0.00 61.98 58.09 1uhp s VAL 97 Cb -0.06 -2.32 0.05 0.00 0.56 0.00 0.00 36.38 34.61 1uhp s VAL 97 CO 0.00 -0.36 0.14 -0.76 -0.31 0.00 0.00 175.10 173.81 1uhp s LEU 98 N -3.32 4.52 -0.15 1.32 1.02 -1.18 -1.19 118.68 119.70 1uhp s LEU 98 Ca 0.27 -1.26 -0.05 0.00 0.02 0.00 0.00 54.13 53.12 1uhp s LEU 98 Cb 0.05 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 1uhp s LEU 98 CO 0.09 -0.38 0.02 -0.13 0.02 0.00 0.00 176.35 175.97 1uhp s ARG 99 N 1.39 3.64 0.27 1.70 0.52 0.16 -4.47 118.95 122.16 1uhp s ARG 99 Ca -0.00 -0.41 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 1uhp s ARG 99 Cb -0.20 -3.01 0.56 0.00 0.52 0.00 0.00 34.95 32.82 1uhp s ARG 99 CO 0.02 0.37 1.63 0.00 0.02 0.00 0.00 175.30 177.35 1uhp h ARG 100 N 6.30 0.12 0.00 3.54 -0.00 -1.96 -1.37 114.38 121.02 1uhp h ARG 100 Ca -0.38 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.09 1uhp h ARG 100 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.12 1uhp h ARG 100 CO 0.64 0.08 0.00 -2.37 0.00 0.00 0.00 179.97 178.32 1uhp n THR 101 N -5.33 0.00 -4.11 2.04 5.66 -1.26 -4.21 114.28 107.07 1uhp n THR 101 Ca 0.17 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.04 1uhp n THR 101 Cb 0.57 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.30 1uhp n THR 101 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1uhp s SER 102 N -2.00 0.66 -0.30 1.09 0.01 -1.26 -5.04 113.70 106.87 1uhp s SER 102 Ca 0.00 -1.39 -0.18 0.00 1.31 0.00 0.00 55.95 55.70 1uhp s SER 102 Cb 0.00 0.59 0.19 0.00 0.21 0.00 0.00 66.02 67.01 1uhp s SER 102 CO 0.00 -1.16 1.22 -0.83 0.41 0.00 0.00 173.24 172.88 1uhp s GLY 103 N -3.19 0.29 0.94 3.44 0.00 -1.26 -5.08 107.32 102.46 1uhp s GLY 103 Ca 0.32 3.59 -0.13 0.00 0.00 0.00 0.00 44.72 48.49 1uhp s GLY 103 CO 0.17 3.16 1.15 2.56 0.00 0.00 0.00 173.10 180.14 1uhp s PRO 104 N 1.81 0.86 -0.03 2.90 0.04 -1.26 -5.09 135.00 134.23 1uhp s PRO 104 Ca -0.03 0.19 -0.09 0.00 0.04 0.00 0.00 61.00 61.11 1uhp s PRO 104 Cb -0.02 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1uhp s PRO 104 CO -0.15 -2.36 0.20 0.45 0.04 0.00 0.00 177.00 175.18 1uhp s SER 105 N -4.10 -0.11 0.00 6.66 0.15 -1.26 -4.97 113.70 110.07 1uhp s SER 105 Ca 0.65 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1uhp s SER 105 Cb -0.13 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1uhp s SER 105 CO 0.54 -0.28 0.00 -1.20 1.20 0.00 0.00 173.24 173.49 1uhp n SER 106 N 1.95 0.00 -0.68 5.45 7.64 -1.26 -5.34 113.62 121.38 1uhp n SER 106 Ca -0.19 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.82 1uhp n SER 106 Cb 0.57 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 64.11 1uhp n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64