#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4i s VAL 2 N 0.00 -0.29 0.13 2.53 0.11 -1.26 -4.47 120.40 117.15 1p4i s VAL 2 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 1p4i s VAL 2 Cb 0.00 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1p4i s VAL 2 CO 0.00 0.00 0.12 -1.10 -3.33 0.00 0.00 175.10 170.79 1p4i s GLN 3 N 2.96 2.91 -0.03 1.54 1.11 -0.58 -4.95 119.66 122.61 1p4i s GLN 3 Ca 0.05 -0.79 0.01 0.00 0.01 0.00 0.00 55.36 54.64 1p4i s GLN 3 Cb -0.08 -2.69 0.02 0.00 -1.01 0.00 0.00 33.01 29.25 1p4i s GLN 3 CO -0.13 0.52 -0.04 -0.51 0.01 0.00 0.00 175.29 175.14 1p4i s LEU 4 N -2.82 1.44 -0.10 2.90 2.01 -1.26 -1.57 118.68 119.28 1p4i s LEU 4 Ca 0.30 -0.10 -0.03 0.00 0.01 0.00 0.00 54.13 54.31 1p4i s LEU 4 Cb -0.11 -0.35 0.05 0.00 0.01 0.00 0.00 46.19 45.79 1p4i s LEU 4 CO 0.23 -0.04 0.12 -1.58 1.01 0.00 0.00 176.35 176.09 1p4i s GLN 5 N 0.70 0.02 0.45 1.70 0.74 -1.00 -4.07 119.66 118.20 1p4i s GLN 5 Ca -0.08 0.33 -0.20 0.00 0.05 0.00 0.00 55.36 55.46 1p4i s GLN 5 Cb -0.12 -0.77 -0.10 0.00 1.10 0.00 0.00 33.01 33.12 1p4i s GLN 5 CO -0.00 -0.43 0.97 -1.21 -0.55 0.00 0.00 175.29 174.07 1p4i s GLU 6 N 2.22 4.11 -0.29 1.67 8.01 -1.26 -1.85 118.70 131.32 1p4i s GLU 6 Ca 0.04 1.14 -0.01 0.00 0.01 0.00 0.00 54.97 56.15 1p4i s GLU 6 Cb -0.13 -2.16 0.13 0.00 -4.31 0.00 0.00 34.13 27.66 1p4i s GLU 6 CO -0.06 -0.14 0.27 0.45 0.01 0.00 0.00 175.26 175.79 1p4i s SER 7 N -2.27 2.02 0.10 -0.19 0.15 0.23 -4.87 113.70 108.87 1p4i s SER 7 Ca 0.62 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1p4i s SER 7 Cb -0.10 0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1p4i s SER 7 CO 0.17 -0.40 0.01 0.61 1.20 0.00 0.00 173.24 174.83 1p4i n GLY 9 N 5.26 4.05 0.07 9.45 0.00 -1.26 -1.73 105.19 121.03 1p4i n GLY 9 Ca -0.02 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 43.92 1p4i n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p4i h PRO 10 N 0.00 0.00 0.00 1.61 0.13 -1.88 -3.49 132.00 128.38 1p4i h PRO 10 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1p4i h PRO 10 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1p4i h PRO 10 CO 0.14 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.32 1p4i n GLY 11 N 1.33 1.17 3.44 1.56 0.00 -1.25 -4.82 105.19 106.62 1p4i n GLY 11 Ca 0.03 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1p4i n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p4i s LEU 12 N 0.00 2.68 0.14 0.99 1.43 -1.26 -1.13 118.68 121.53 1p4i s LEU 12 Ca 0.00 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.71 1p4i s LEU 12 Cb 0.00 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.69 1p4i s LEU 12 CO 0.00 0.30 0.38 0.68 0.23 0.00 0.00 176.35 177.93 1p4i s VAL 13 N -0.44 0.07 0.23 -1.59 -7.23 -1.14 -5.01 120.40 105.29 1p4i s VAL 13 Ca 0.05 -0.83 -0.05 0.00 -1.81 0.00 0.00 61.98 59.35 1p4i s VAL 13 Cb -0.12 -1.37 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 1p4i s VAL 13 CO 0.02 -0.33 0.48 0.00 -0.31 0.00 0.00 175.10 174.96 1p4i s ALA 14 N -3.85 3.69 -0.03 1.32 0.00 -1.26 0.13 121.76 121.76 1p4i s ALA 14 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1p4i s ALA 14 Cb 0.02 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1p4i s ALA 14 CO -0.08 0.42 0.51 -2.30 0.00 0.00 0.00 175.76 174.31 1p4i n PRO 15 N -0.53 0.00 0.00 0.00 -0.02 -1.26 -1.62 135.00 131.57 1p4i n PRO 15 Ca -0.02 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1p4i n PRO 15 Cb 0.53 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1p4i n PRO 15 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1p4i n SER 16 N -1.01 0.00 -3.61 2.55 7.64 -1.24 -4.34 113.62 113.61 1p4i n SER 16 Ca 0.00 -1.00 -0.28 0.00 1.01 0.00 0.00 58.87 58.60 1p4i n SER 16 Cb 0.48 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.89 1p4i n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p4i n GLN 17 N 0.00 -2.17 -0.38 1.43 6.02 -0.64 -3.83 117.38 117.81 1p4i n GLN 17 Ca 0.00 -1.75 -0.03 0.00 -0.01 0.00 0.00 57.00 55.21 1p4i n GLN 17 Cb 0.28 -1.40 0.02 0.00 1.02 0.00 0.00 30.24 30.16 1p4i n GLN 17 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1p4i n SER 18 N -4.30 0.05 -3.66 1.08 7.64 -1.26 -3.08 113.62 110.09 1p4i n SER 18 Ca 0.15 -1.07 -0.06 0.00 1.01 0.00 0.00 58.87 58.90 1p4i n SER 18 Cb 0.54 -0.09 -0.07 0.00 -1.01 0.00 0.00 64.21 63.58 1p4i n SER 18 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1p4i s LEU 19 N 0.00 -0.80 -0.28 -3.43 0.20 -0.74 -4.86 118.68 108.77 1p4i s LEU 19 Ca 0.07 1.30 -0.02 0.00 0.69 0.00 0.00 54.13 56.17 1p4i s LEU 19 Cb -0.00 1.92 0.09 0.00 -0.43 0.00 0.00 46.19 47.77 1p4i s LEU 19 CO 0.05 -0.22 0.09 -0.44 -0.29 0.00 0.00 176.35 175.54 1p4i s SER 20 N 2.29 3.68 -0.10 3.68 0.01 -1.26 -1.89 113.70 120.11 1p4i s SER 20 Ca -0.06 -1.38 -0.04 0.00 1.31 0.00 0.00 55.95 55.78 1p4i s SER 20 Cb -0.10 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 1p4i s SER 20 CO -0.17 -0.40 0.05 -0.63 0.41 0.00 0.00 173.24 172.51 1p4i s ILE 21 N 1.79 4.73 -0.05 1.44 1.01 -1.13 -4.54 121.20 124.45 1p4i s ILE 21 Ca 0.07 -0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.69 1p4i s ILE 21 Cb -0.17 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1p4i s ILE 21 CO -0.25 0.61 -0.22 -0.89 0.00 0.00 0.00 174.94 174.19 1p4i s THR 22 N -0.92 1.81 -0.28 2.92 2.01 -0.70 -1.16 115.64 119.31 1p4i s THR 22 Ca 0.14 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 1p4i s THR 22 Cb -0.12 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.89 1p4i s THR 22 CO 0.03 0.51 0.02 0.00 -0.69 0.00 0.00 174.62 174.49 1p4i s THR 24 N 1.41 5.18 -0.03 0.00 2.01 -0.77 -1.65 115.64 121.79 1p4i s THR 24 Ca 0.01 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.57 1p4i s THR 24 Cb -0.17 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1p4i s THR 24 CO -0.00 0.14 -0.23 0.68 -0.69 0.00 0.00 174.62 174.51 1p4i s VAL 25 N 2.05 2.29 0.21 3.82 -7.23 -0.77 -2.38 120.40 118.39 1p4i s VAL 25 Ca 0.14 -1.02 0.02 0.00 -1.81 0.00 0.00 61.98 59.32 1p4i s VAL 25 Cb -0.16 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 1p4i s VAL 25 CO 0.10 0.58 0.02 -0.94 -0.31 0.00 0.00 175.10 174.55 1p4i s SER 26 N -0.60 1.47 0.00 4.85 1.04 -0.61 -4.81 113.70 115.04 1p4i s SER 26 Ca 0.09 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1p4i s SER 26 Cb -0.10 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1p4i s SER 26 CO -0.00 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1p4i n GLY 27 N -0.36 0.96 1.11 7.32 0.00 -1.26 -1.52 105.19 111.45 1p4i n GLY 27 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1p4i n GLY 27 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1p4i n PHE 29 N -2.00 -1.05 -4.22 1.61 1.16 -1.26 -4.76 117.46 106.93 1p4i n PHE 29 Ca 0.00 -0.44 -0.29 0.00 -1.87 0.00 0.00 57.45 54.85 1p4i n PHE 29 Cb 0.00 0.22 -0.17 0.00 -1.61 0.00 0.00 39.48 37.92 1p4i n PHE 29 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1p4i s SER 30 N -1.67 2.48 0.04 5.98 1.04 -1.26 -5.00 113.70 115.31 1p4i s SER 30 Ca 0.06 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.08 1p4i s SER 30 Cb -0.01 -1.08 0.10 0.00 0.10 0.00 0.00 66.02 65.12 1p4i s SER 30 CO 0.02 -0.03 0.91 0.18 0.98 0.00 0.00 173.24 175.31 1p4i n LEU 31 N 4.51 0.05 0.10 2.42 4.77 -1.26 -1.19 117.00 126.40 1p4i n LEU 31 Ca -0.17 0.38 -0.04 0.00 -0.03 0.00 0.00 56.01 56.15 1p4i n LEU 31 Cb 0.51 -0.38 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1p4i n LEU 31 CO 0.22 -0.40 0.34 0.71 -1.33 0.00 0.00 177.39 176.94 1p4i h THR 32 N 0.00 1.56 0.00 -5.08 1.35 -1.92 -3.36 112.91 105.46 1p4i h THR 32 Ca 0.00 -2.66 -0.36 0.00 -0.55 0.00 0.00 66.41 62.84 1p4i h THR 32 Cb 0.31 2.44 -0.07 0.00 -1.73 0.00 0.00 68.15 69.11 1p4i h THR 32 CO 0.00 0.76 -2.28 0.47 -0.25 0.00 0.00 175.52 174.22 1p4i n ASP 33 N -3.62 0.42 -4.46 5.36 8.00 -0.33 -4.35 116.55 117.57 1p4i n ASP 33 Ca -0.01 0.06 -0.30 0.00 0.71 0.00 0.00 54.79 55.25 1p4i n ASP 33 Cb 0.75 0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 42.35 1p4i n ASP 33 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1p4i s TYR 39 N -2.51 2.53 0.55 1.24 2.02 -1.20 -4.56 117.35 115.41 1p4i s TYR 39 Ca -0.12 -0.27 -0.06 0.00 -0.37 0.00 0.00 57.07 56.25 1p4i s TYR 39 Cb 0.07 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 40.21 1p4i s TYR 39 CO 0.80 0.30 0.86 0.20 -1.57 0.00 0.00 175.55 176.15 1p4i s GLY 40 N -1.73 1.57 -0.02 0.71 0.00 -1.26 -3.85 107.32 102.74 1p4i s GLY 40 Ca 0.16 -0.59 0.05 0.00 0.00 0.00 0.00 44.72 44.34 1p4i s GLY 40 CO 0.07 -0.36 -0.17 0.14 0.00 0.00 0.00 173.10 172.78 1p4i s VAL 41 N -2.91 1.39 0.23 1.40 1.01 -0.14 -4.54 120.40 116.83 1p4i s VAL 41 Ca 0.52 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1p4i s VAL 41 Cb -0.10 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1p4i s VAL 41 CO 0.45 0.39 0.10 0.20 0.00 0.00 0.00 175.10 176.24 1p4i s ASN 42 N -0.37 5.12 -0.08 3.32 0.01 0.19 -1.48 114.94 121.64 1p4i s ASN 42 Ca 0.06 -0.37 0.04 0.00 -0.71 0.00 0.00 52.86 51.88 1p4i s ASN 42 Cb -0.07 -1.19 0.00 0.00 0.41 0.00 0.00 41.25 40.41 1p4i s ASN 42 CO -0.00 0.01 -0.19 0.26 -1.51 0.00 0.00 177.10 175.66 1p4i s TRP 43 N -2.06 2.07 -0.02 2.20 0.52 -0.03 -1.02 118.94 120.59 1p4i s TRP 43 Ca 0.31 -0.77 -0.03 0.00 0.02 0.00 0.00 56.10 55.64 1p4i s TRP 43 Cb -0.08 -1.41 0.01 0.00 -1.15 0.00 0.00 33.47 30.84 1p4i s TRP 43 CO 0.22 -0.31 0.07 0.08 0.02 0.00 0.00 176.95 177.03 1p4i s VAL 44 N 0.34 0.01 0.09 4.03 1.01 0.33 -0.04 120.40 126.16 1p4i s VAL 44 Ca -0.14 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 61.84 1p4i s VAL 44 Cb -0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1p4i s VAL 44 CO 0.06 -0.04 -0.20 0.00 0.00 0.00 0.00 175.10 174.92 1p4i s ARG 45 N -0.10 1.08 -0.09 2.72 1.70 -0.68 0.10 118.95 123.67 1p4i s ARG 45 Ca -0.02 -1.10 -0.02 0.00 -0.47 0.00 0.00 55.73 54.12 1p4i s ARG 45 Cb -0.01 -1.28 0.04 0.00 -0.57 0.00 0.00 34.95 33.12 1p4i s ARG 45 CO 0.00 0.30 0.05 -1.14 -1.08 0.00 0.00 175.30 173.43 1p4i s GLN 46 N -1.82 0.21 0.23 3.89 0.74 -0.61 -1.44 119.66 120.85 1p4i s GLN 46 Ca 0.05 0.15 0.06 0.00 0.05 0.00 0.00 55.36 55.67 1p4i s GLN 46 Cb -0.10 -1.03 -0.04 0.00 1.10 0.00 0.00 33.01 32.95 1p4i s GLN 46 CO 0.04 -0.41 0.22 -1.54 -0.55 0.00 0.00 175.29 173.05 1p4i s SER 47 N 2.08 5.72 0.82 6.67 1.04 -1.23 -1.86 113.70 126.94 1p4i s SER 47 Ca 0.04 -0.14 -0.16 0.00 0.48 0.00 0.00 55.95 56.16 1p4i s SER 47 Cb -0.13 -1.53 -0.10 0.00 0.10 0.00 0.00 66.02 64.36 1p4i s SER 47 CO -0.05 -0.02 -0.22 -2.65 0.98 0.00 0.00 173.24 171.28 1p4i n PRO 48 N -1.04 0.02 -3.02 4.02 -0.02 -1.26 -3.14 135.00 130.56 1p4i n PRO 48 Ca -0.08 0.02 -0.12 0.00 -2.02 0.00 0.00 63.50 61.30 1p4i n PRO 48 Cb 0.57 -1.28 0.06 0.00 -0.02 0.00 0.00 33.50 32.83 1p4i n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p4i n GLY 49 N 2.63 -0.15 5.90 -1.23 0.00 -1.26 -4.83 105.19 106.26 1p4i n GLY 49 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1p4i n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1p4i n LYS 50 N -3.24 0.00 -0.50 1.61 2.85 -1.19 -5.01 118.16 112.69 1p4i n LYS 50 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 1p4i n LYS 50 Cb 0.62 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.00 1p4i n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1p4i n GLY 51 N 0.00 -1.04 3.40 2.58 0.00 -1.26 -4.16 105.19 104.71 1p4i n GLY 51 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1p4i n GLY 51 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1p4i s LEU 52 N 0.00 4.96 -0.05 0.99 2.96 -1.26 -3.51 118.68 122.76 1p4i s LEU 52 Ca 0.00 -1.01 0.05 0.00 -0.22 0.00 0.00 54.13 52.95 1p4i s LEU 52 Cb 0.00 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1p4i s LEU 52 CO 0.00 -0.44 -0.22 -1.83 -1.32 0.00 0.00 176.35 172.54 1p4i s GLU 53 N 1.60 2.52 0.07 1.98 -1.05 -0.52 -5.01 118.70 118.28 1p4i s GLU 53 Ca 0.03 -0.85 -0.30 0.00 -0.15 0.00 0.00 54.97 53.71 1p4i s GLU 53 Cb -0.20 -2.22 -0.05 0.00 -0.44 0.00 0.00 34.13 31.22 1p4i s GLU 53 CO 0.08 0.46 1.02 -0.46 0.95 0.00 0.00 175.26 177.30 1p4i s TRP 54 N -0.34 3.68 -0.23 4.83 -0.00 -1.26 -1.69 118.94 123.92 1p4i s TRP 54 Ca 0.02 1.68 -0.16 0.00 -0.00 0.00 0.00 56.10 57.64 1p4i s TRP 54 Cb -0.12 -3.15 -0.12 0.00 -0.00 0.00 0.00 33.47 30.08 1p4i s TRP 54 CO 0.02 -0.16 -0.20 1.28 -0.00 0.00 0.00 176.95 177.89 1p4i n LEU 55 N 3.28 1.92 -3.98 5.86 4.77 0.94 -4.68 117.00 125.11 1p4i n LEU 55 Ca 0.05 0.39 0.02 0.00 -0.03 0.00 0.00 56.01 56.43 1p4i n LEU 55 Cb 0.49 -0.85 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1p4i n LEU 55 CO 0.52 0.25 1.06 -0.83 -1.33 0.00 0.00 177.39 177.07 1p4i s GLY 56 N -5.12 -0.09 0.05 -0.72 0.00 -1.15 -0.61 107.32 99.67 1p4i s GLY 56 Ca -0.32 -0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.27 1p4i s GLY 56 CO 0.48 5.24 0.24 0.54 0.00 0.00 0.00 173.10 179.60 1p4i s VAL 57 N -2.04 0.10 -0.17 1.40 0.11 0.11 -0.85 120.40 119.06 1p4i s VAL 57 Ca 0.28 -0.84 -0.05 0.00 -2.93 0.00 0.00 61.98 58.44 1p4i s VAL 57 Cb -0.01 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.91 1p4i s VAL 57 CO 0.00 -0.47 0.09 -0.51 -3.33 0.00 0.00 175.10 170.88 1p4i s ILE 58 N -2.80 -0.07 0.94 7.04 2.07 -0.55 -1.15 121.20 126.68 1p4i s ILE 58 Ca -0.03 -0.15 -0.16 0.00 -1.41 0.00 0.00 60.65 58.90 1p4i s ILE 58 Cb 0.00 -0.57 0.23 0.00 0.13 0.00 0.00 42.46 42.25 1p4i s ILE 58 CO -0.05 -0.26 0.91 0.79 -1.91 0.00 0.00 174.94 174.43 1p4i n TRP 59 N 5.27 -3.78 -0.24 3.50 7.02 -0.27 -0.97 117.44 127.98 1p4i n TRP 59 Ca -0.07 -0.82 0.01 0.00 -1.02 0.00 0.00 57.50 55.59 1p4i n TRP 59 Cb 0.49 -0.89 0.13 0.00 -2.42 0.00 0.00 31.31 28.62 1p4i n TRP 59 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1p4i h GLY 60 N -2.08 1.03 -3.76 6.99 0.00 -1.72 -3.37 103.07 100.17 1p4i h GLY 60 Ca -0.33 -0.22 -0.50 0.00 0.00 0.00 0.00 47.33 46.27 1p4i h GLY 60 CO 0.22 0.08 0.27 0.51 0.00 0.00 0.00 176.54 177.62 1p4i s ASP 65 N -5.51 7.47 0.00 0.19 -4.77 -1.26 -4.55 116.67 108.24 1p4i s ASP 65 Ca -0.13 1.79 0.00 0.00 -3.30 0.00 0.00 52.55 50.91 1p4i s ASP 65 Cb 0.17 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.45 1p4i s ASP 65 CO 0.76 0.13 0.00 0.61 0.70 0.00 0.00 175.17 177.37 1p4i n GLY 66 N 1.33 0.00 3.76 2.12 0.00 -1.26 -4.74 105.19 106.40 1p4i n GLY 66 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1p4i n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p4i s ILE 67 N -0.77 4.26 0.17 -0.61 1.01 -1.26 -4.87 121.20 119.13 1p4i s ILE 67 Ca 0.00 1.88 0.08 0.00 0.00 0.00 0.00 60.65 62.62 1p4i s ILE 67 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 1p4i s ILE 67 CO 0.00 0.50 -0.18 0.42 0.00 0.00 0.00 174.94 175.68 1p4i s THR 68 N -1.07 1.80 -0.01 2.92 -4.23 -1.26 -1.12 115.64 112.67 1p4i s THR 68 Ca 0.39 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1p4i s THR 68 Cb -0.24 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1p4i s THR 68 CO 0.29 -0.35 -0.05 -1.81 -0.54 0.00 0.00 174.62 172.16 1p4i s ASP 69 N -2.73 0.69 0.26 3.99 1.11 -0.30 -4.97 116.67 114.72 1p4i s ASP 69 Ca 0.16 -0.10 0.08 0.00 0.18 0.00 0.00 52.55 52.87 1p4i s ASP 69 Cb -0.05 -0.16 -0.05 0.00 1.07 0.00 0.00 42.92 43.72 1p4i s ASP 69 CO 0.07 0.03 -0.11 -0.31 1.18 0.00 0.00 175.17 176.03 1p4i s TYR 70 N 0.19 1.95 -0.05 4.23 4.12 -1.26 0.05 117.35 126.57 1p4i s TYR 70 Ca -0.02 -0.60 -0.30 0.00 0.02 0.00 0.00 57.07 56.18 1p4i s TYR 70 Cb -0.06 -1.01 -0.04 0.00 -1.52 0.00 0.00 41.96 39.33 1p4i s TYR 70 CO -0.00 0.38 1.29 1.21 0.02 0.00 0.00 175.55 178.46 1p4i s ASN 71 N -3.42 6.95 0.22 2.29 3.84 0.21 -4.90 114.94 120.13 1p4i s ASN 71 Ca 0.27 1.91 -0.08 0.00 0.21 0.00 0.00 52.86 55.18 1p4i s ASN 71 Cb 0.01 -2.56 0.31 0.00 -0.55 0.00 0.00 41.25 38.47 1p4i s ASN 71 CO 0.11 -0.67 1.75 0.77 -2.79 0.00 0.00 177.10 176.27 1p4i h SER 72 N 7.77 0.31 -0.03 -4.21 4.64 -1.95 0.27 113.55 120.35 1p4i h SER 72 Ca -0.34 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1p4i h SER 72 Cb 1.16 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1p4i h SER 72 CO 0.90 0.17 0.02 0.00 -0.87 0.00 0.00 176.83 177.06 1p4i n ALA 73 N -2.45 2.60 0.00 5.18 0.00 -1.26 -2.75 120.51 121.83 1p4i n ALA 73 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1p4i n ALA 73 Cb 0.29 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1p4i n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p4i n LEU 74 N 0.44 0.00 -0.13 0.00 4.32 -0.71 -4.97 117.00 115.95 1p4i n LEU 74 Ca 0.02 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.02 1p4i n LEU 74 Cb 0.54 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.37 1p4i n LEU 74 CO 0.02 0.00 0.22 1.17 -1.22 0.00 0.00 177.39 177.58 1p4i n LYS 75 N -0.08 -0.05 0.00 3.23 4.81 0.89 0.48 118.16 127.43 1p4i n LYS 75 Ca 0.00 0.54 0.04 0.00 -0.87 0.00 0.00 58.31 58.03 1p4i n LYS 75 Cb 0.00 -0.81 0.25 0.00 0.02 0.00 0.00 35.03 34.48 1p4i n LYS 75 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1p4i n SER 76 N -4.55 0.00 0.00 3.14 7.64 -1.26 -3.62 113.62 114.97 1p4i n SER 76 Ca 0.05 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.43 1p4i n SER 76 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1p4i n SER 76 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1p4i n ARG 77 N -0.84 2.45 -3.52 1.43 1.74 0.18 -5.01 116.66 113.09 1p4i n ARG 77 Ca 0.06 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.92 1p4i n ARG 77 Cb 0.03 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 1p4i n ARG 77 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1p4i s LEU 78 N -2.14 3.09 -0.22 0.55 -0.00 -1.21 -3.14 118.68 115.61 1p4i s LEU 78 Ca 0.00 -0.93 -0.27 0.00 -0.00 0.00 0.00 54.13 52.93 1p4i s LEU 78 Cb 0.00 -1.69 0.10 0.00 -0.00 0.00 0.00 46.19 44.61 1p4i s LEU 78 CO 0.00 -0.99 0.91 -0.55 -0.00 0.00 0.00 176.35 175.72 1p4i s SER 79 N -4.33 -0.53 -0.10 1.48 0.15 -0.52 -4.96 113.70 104.90 1p4i s SER 79 Ca 0.47 0.86 0.02 0.00 0.70 0.00 0.00 55.95 58.01 1p4i s SER 79 Cb -0.04 0.82 0.01 0.00 -1.71 0.00 0.00 66.02 65.11 1p4i s SER 79 CO 0.28 -0.28 -0.17 -0.69 1.20 0.00 0.00 173.24 173.58 1p4i s VAL 80 N -0.25 1.57 0.41 4.45 1.01 -1.26 -0.74 120.40 125.59 1p4i s VAL 80 Ca -0.01 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1p4i s VAL 80 Cb -0.03 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1p4i s VAL 80 CO -0.00 0.45 0.07 -0.89 0.00 0.00 0.00 175.10 174.73 1p4i s THR 81 N 0.81 0.99 -0.22 3.92 2.01 -0.98 -4.95 115.64 117.21 1p4i s THR 81 Ca -0.10 -2.00 -0.30 0.00 0.31 0.00 0.00 61.69 59.60 1p4i s THR 81 Cb -0.16 -2.47 0.16 0.00 0.01 0.00 0.00 72.50 70.04 1p4i s THR 81 CO 0.01 0.00 1.20 -1.59 -0.69 0.00 0.00 174.62 173.55 1p4i s LYS 82 N -3.79 0.30 -0.31 4.92 -2.85 -1.26 -0.06 119.74 116.70 1p4i s LYS 82 Ca 0.24 0.05 0.03 0.00 -1.00 0.00 0.00 55.97 55.29 1p4i s LYS 82 Cb 0.04 0.14 0.08 0.00 -2.06 0.00 0.00 37.83 36.04 1p4i s LYS 82 CO 0.12 -0.10 -0.01 0.34 0.10 0.00 0.00 175.35 175.80 1p4i s ASP 83 N -1.17 4.61 0.22 0.03 3.68 -0.42 -5.00 116.67 118.62 1p4i s ASP 83 Ca 0.05 -1.83 -0.08 0.00 2.13 0.00 0.00 52.55 52.82 1p4i s ASP 83 Cb -0.01 -1.57 0.19 0.00 -1.45 0.00 0.00 42.92 40.08 1p4i s ASP 83 CO -0.04 -0.30 1.83 0.78 0.13 0.00 0.00 175.17 177.57 1p4i h ASN 84 N 7.69 1.09 0.66 -0.34 2.35 -1.97 0.82 115.58 125.88 1p4i h ASN 84 Ca -0.10 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1p4i h ASN 84 Cb 1.03 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 1p4i h ASN 84 CO 0.49 0.90 -0.04 0.28 -1.65 0.00 0.00 177.43 177.41 1p4i h SER 85 N 1.20 0.00 -0.01 5.81 0.02 -1.98 -2.76 113.55 115.84 1p4i h SER 85 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1p4i h SER 85 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1p4i h SER 85 CO -0.04 0.04 -0.25 0.29 -1.14 0.00 0.00 176.83 175.73 1p4i n LYS 86 N -3.21 1.78 -3.49 3.45 5.02 -0.94 -5.03 118.16 115.75 1p4i n LYS 86 Ca -0.01 -0.76 -0.19 0.00 -2.02 0.00 0.00 58.31 55.32 1p4i n LYS 86 Cb 0.25 -1.19 0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1p4i n LYS 86 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1p4i n SER 87 N -0.10 -3.45 -3.80 4.39 7.64 0.24 -4.89 113.62 113.65 1p4i n SER 87 Ca 0.06 -0.75 -0.15 0.00 1.01 0.00 0.00 58.87 59.03 1p4i n SER 87 Cb 0.28 -4.65 -0.16 0.00 -1.01 0.00 0.00 64.21 58.68 1p4i n SER 87 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1p4i s GLN 88 N -5.34 0.08 -0.06 1.43 -0.21 -1.02 -1.84 119.66 112.71 1p4i s GLN 88 Ca 0.18 0.13 -0.03 0.00 0.02 0.00 0.00 55.36 55.67 1p4i s GLN 88 Cb -0.04 -0.31 -0.04 0.00 1.00 0.00 0.00 33.01 33.63 1p4i s GLN 88 CO 0.77 -0.14 0.08 0.08 -2.12 0.00 0.00 175.29 173.96 1p4i s VAL 89 N 0.97 4.85 0.33 1.09 1.01 -0.66 -1.30 120.40 126.68 1p4i s VAL 89 Ca -0.09 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 61.80 1p4i s VAL 89 Cb -0.12 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1p4i s VAL 89 CO -0.02 0.50 0.04 -0.36 0.00 0.00 0.00 175.10 175.25 1p4i s PHE 90 N -1.06 2.60 0.01 5.22 2.99 0.92 -0.64 117.98 128.01 1p4i s PHE 90 Ca 0.18 -0.40 0.01 0.00 0.00 0.00 0.00 56.93 56.73 1p4i s PHE 90 Cb -0.12 -1.48 -0.01 0.00 0.00 0.00 0.00 43.02 41.41 1p4i s PHE 90 CO 0.08 0.46 -0.04 -1.17 -0.00 0.00 0.00 175.22 174.55 1p4i s LEU 91 N -3.74 2.09 -0.16 -0.37 0.20 -0.31 -2.32 118.68 114.07 1p4i s LEU 91 Ca 0.35 -0.21 -0.04 0.00 0.69 0.00 0.00 54.13 54.91 1p4i s LEU 91 Cb -0.01 -0.14 0.08 0.00 -0.43 0.00 0.00 46.19 45.68 1p4i s LEU 91 CO 0.20 -0.05 0.25 -0.54 -0.29 0.00 0.00 176.35 175.93 1p4i s LYS 92 N -0.55 0.17 0.46 1.98 1.02 0.08 -2.85 119.74 120.05 1p4i s LYS 92 Ca -0.03 0.58 0.04 0.00 0.02 0.00 0.00 55.97 56.58 1p4i s LYS 92 Cb -0.04 -0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 36.83 1p4i s LYS 92 CO -0.00 -0.41 0.03 -1.64 -0.92 0.00 0.00 175.35 172.41 1p4i s MET 93 N 2.40 2.09 0.21 1.68 -1.94 -0.79 -1.44 119.30 121.51 1p4i s MET 93 Ca 0.04 -2.22 -0.22 0.00 -1.71 0.00 0.00 55.69 51.57 1p4i s MET 93 Cb -0.13 -1.63 0.06 0.00 2.01 0.00 0.00 34.83 35.14 1p4i s MET 93 CO -0.10 -0.22 0.93 0.54 -0.01 0.00 0.00 175.02 176.17 1p4i s ASN 94 N -3.82 -0.10 -1.50 3.03 2.20 -1.19 -1.79 114.94 111.77 1p4i s ASN 94 Ca 0.22 -0.63 0.00 0.00 -0.94 0.00 0.00 52.86 51.51 1p4i s ASN 94 Cb 0.05 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.88 1p4i s ASN 94 CO 0.12 -1.10 0.00 -1.20 -2.94 0.00 0.00 177.10 171.98 1p4i n SER 95 N -0.85 -5.08 -4.70 3.54 7.64 -1.18 -4.89 113.62 108.11 1p4i n SER 95 Ca -0.05 0.01 -0.37 0.00 1.01 0.00 0.00 58.87 59.47 1p4i n SER 95 Cb 0.60 -4.17 0.07 0.00 -1.01 0.00 0.00 64.21 59.71 1p4i n SER 95 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1p4i n LEU 96 N -2.45 5.30 0.00 -3.43 4.77 -1.22 -4.88 117.00 115.09 1p4i n LEU 96 Ca -0.20 0.79 -0.09 0.00 -0.03 0.00 0.00 56.01 56.47 1p4i n LEU 96 Cb 0.65 -1.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.21 1p4i n LEU 96 CO 0.24 -1.30 0.10 0.00 -1.33 0.00 0.00 177.39 175.10 1p4i n GLN 97 N -1.88 0.43 -0.17 3.23 1.13 -1.26 -3.60 117.38 115.26 1p4i n GLN 97 Ca 0.15 -1.78 -0.08 0.00 -1.94 0.00 0.00 57.00 53.36 1p4i n GLN 97 Cb 0.48 1.70 -0.02 0.00 0.11 0.00 0.00 30.24 32.51 1p4i n GLN 97 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1p4i h SER 98 N 1.24 -1.32 -1.30 1.08 0.02 -1.92 -0.70 113.55 110.65 1p4i h SER 98 Ca -0.17 0.23 0.41 0.00 -0.84 0.00 0.00 61.79 61.41 1p4i h SER 98 Cb 0.75 0.61 -0.11 0.00 0.14 0.00 0.00 62.40 63.78 1p4i h SER 98 CO 0.23 -0.33 0.85 1.23 -1.14 0.00 0.00 176.83 177.67 1p4i h GLY 99 N -0.24 1.14 1.74 -3.77 0.00 -1.98 0.22 103.07 100.19 1p4i h GLY 99 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1p4i h GLY 99 CO -0.64 -0.31 0.00 1.22 0.00 0.00 0.00 176.54 176.82 1p4i n ASP 100 N -4.61 0.00 -4.70 0.19 8.00 -0.27 -4.68 116.55 110.48 1p4i n ASP 100 Ca 0.35 0.28 -0.42 0.00 0.71 0.00 0.00 54.79 55.70 1p4i n ASP 100 Cb 1.35 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 42.05 1p4i n ASP 100 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1p4i s SER 101 N -2.74 6.98 0.00 -2.24 0.01 0.78 -4.90 113.70 111.59 1p4i s SER 101 Ca 0.08 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.33 1p4i s SER 101 Cb 0.07 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1p4i s SER 101 CO 0.17 -0.60 0.00 0.00 0.41 0.00 0.00 173.24 173.22 1p4i n ALA 102 N 4.89 0.00 -3.61 1.44 0.00 -0.84 -4.68 120.51 117.72 1p4i n ALA 102 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 1p4i n ALA 102 Cb 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.75 1p4i n ALA 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1p4i s ARG 103 N -0.67 3.20 -0.21 0.00 3.52 -0.78 -1.86 118.95 122.15 1p4i s ARG 103 Ca 0.00 -0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 54.76 1p4i s ARG 103 Cb 0.00 -2.68 -0.05 0.00 -1.56 0.00 0.00 34.95 30.66 1p4i s ARG 103 CO 0.00 -0.07 0.13 0.71 -0.81 0.00 0.00 175.30 175.26 1p4i s TYR 104 N 1.04 3.35 0.06 5.12 1.51 -0.50 -1.57 117.35 126.35 1p4i s TYR 104 Ca -0.01 0.25 0.08 0.00 -1.01 0.00 0.00 57.07 56.37 1p4i s TYR 104 Cb -0.15 -2.19 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 1p4i s TYR 104 CO -0.03 0.18 -0.21 0.71 -1.11 0.00 0.00 175.55 175.09 1p4i s TYR 105 N 0.64 1.81 -0.33 2.71 1.51 0.28 -1.89 117.35 122.08 1p4i s TYR 105 Ca 0.07 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1p4i s TYR 105 Cb -0.12 -1.06 0.05 0.00 -0.11 0.00 0.00 41.96 40.72 1p4i s TYR 105 CO 0.01 0.12 0.07 0.00 -1.11 0.00 0.00 175.55 174.63 1p4i s VAL 107 N 1.32 1.49 0.00 0.00 0.11 -0.19 -3.97 120.40 119.17 1p4i s VAL 107 Ca -0.03 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.02 1p4i s VAL 107 Cb -0.20 -2.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.95 1p4i s VAL 107 CO 0.01 0.00 0.00 0.41 -3.33 0.00 0.00 175.10 172.19 1p4i n THR 108 N -0.97 0.00 -0.68 5.04 -1.04 -0.39 0.52 114.28 116.76 1p4i n THR 108 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1p4i n THR 108 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1p4i n THR 108 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p4i n GLY 109 N -1.05 0.08 0.00 3.41 0.00 -1.26 -4.44 105.19 101.94 1p4i n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1p4i n GLY 109 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1p4i n LEU 110 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.25 117.00 112.48 1p4i n LEU 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1p4i n LEU 110 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 1p4i n LEU 110 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 177.39 177.88 1p4i n PHE 136 N 0.00 0.00 0.05 1.96 0.99 -1.26 -4.95 117.46 114.25 1p4i n PHE 136 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.46 1p4i n PHE 136 Cb 0.00 0.00 0.34 0.00 -1.00 0.00 0.00 39.48 38.82 1p4i n PHE 136 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1p4i h ASP 137 N 0.00 0.37 -4.21 4.37 3.45 -1.84 -3.45 116.42 115.11 1p4i h ASP 137 Ca 0.00 -0.07 -0.37 0.00 0.43 0.00 0.00 57.03 57.02 1p4i h ASP 137 Cb 0.00 -0.10 -0.26 0.00 -0.56 0.00 0.00 39.33 38.41 1p4i h ASP 137 CO 0.00 0.48 -0.77 -0.31 -1.57 0.00 0.00 179.24 177.07 1p4i s TYR 138 N -4.86 0.81 0.39 4.55 1.51 -1.26 -4.95 117.35 113.54 1p4i s TYR 138 Ca -0.07 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 55.78 1p4i s TYR 138 Cb 0.15 -0.50 -0.05 0.00 -0.11 0.00 0.00 41.96 41.45 1p4i s TYR 138 CO 0.75 -0.01 0.06 -1.58 -1.11 0.00 0.00 175.55 173.66 1p4i s TRP 139 N -0.56 1.98 0.26 2.71 0.52 -1.26 -1.26 118.94 121.34 1p4i s TRP 139 Ca 0.00 -1.00 0.09 0.00 0.02 0.00 0.00 56.10 55.21 1p4i s TRP 139 Cb -0.05 -1.37 -0.05 0.00 -1.15 0.00 0.00 33.47 30.84 1p4i s TRP 139 CO 0.00 0.03 -0.15 0.20 0.02 0.00 0.00 176.95 177.05 1p4i s GLY 140 N -3.61 1.73 0.27 0.98 0.00 -1.25 -4.45 107.32 100.98 1p4i s GLY 140 Ca 0.28 -1.82 -0.07 0.00 0.00 0.00 0.00 44.72 43.12 1p4i s GLY 140 CO 0.14 -1.87 1.59 1.46 0.00 0.00 0.00 173.10 174.41 1p4i h GLN 141 N 2.36 0.02 0.00 2.90 7.50 -1.95 -3.45 115.11 122.48 1p4i h GLN 141 Ca -0.39 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.75 1p4i h GLN 141 Cb 1.24 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.77 1p4i h GLN 141 CO 0.63 0.01 0.00 0.41 -1.50 0.00 0.00 178.83 178.38 1p4i n GLY 142 N -1.53 1.94 2.85 3.46 0.00 -1.26 -5.01 105.19 105.64 1p4i n GLY 142 Ca 0.16 -2.03 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 1p4i n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p4i s THR 143 N -2.22 0.25 0.51 2.61 2.01 -0.79 -4.74 115.64 113.27 1p4i s THR 143 Ca 0.00 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 1p4i s THR 143 Cb 0.00 -0.30 -0.08 0.00 0.01 0.00 0.00 72.50 72.13 1p4i s THR 143 CO 0.00 0.14 0.98 -0.89 -0.69 0.00 0.00 174.62 174.16 1p4i s THR 144 N 0.77 4.55 -0.19 -0.82 2.01 -1.26 -1.42 115.64 119.28 1p4i s THR 144 Ca -0.08 1.18 -0.05 0.00 0.31 0.00 0.00 61.69 63.05 1p4i s THR 144 Cb -0.11 -3.73 0.09 0.00 0.01 0.00 0.00 72.50 68.76 1p4i s THR 144 CO -0.01 -0.70 0.33 -0.22 -0.69 0.00 0.00 174.62 173.33 1p4i s LEU 145 N -4.10 -0.46 -0.13 4.42 2.96 -0.78 -3.79 118.68 116.81 1p4i s LEU 145 Ca 0.58 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.00 1p4i s LEU 145 Cb -0.10 0.95 -0.01 0.00 0.50 0.00 0.00 46.19 47.53 1p4i s LEU 145 CO 0.32 -0.26 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.03 1p4i s THR 146 N 2.50 2.65 -0.19 3.68 2.01 -0.29 -1.98 115.64 124.01 1p4i s THR 146 Ca 0.04 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.15 1p4i s THR 146 Cb -0.13 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 1p4i s THR 146 CO -0.12 0.53 0.12 0.68 -0.69 0.00 0.00 174.62 175.14 1p4i s VAL 147 N 0.51 5.32 0.00 3.82 -7.23 -1.26 -2.89 120.40 118.67 1p4i s VAL 147 Ca -0.11 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 1p4i s VAL 147 Cb -0.16 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.37 1p4i s VAL 147 CO 0.04 0.46 0.00 -0.24 -0.31 0.00 0.00 175.10 175.06