#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5n n SER 2 N 0.00 -8.44 -3.16 1.61 7.64 -1.26 -5.08 113.62 104.94 1x5n n SER 2 Ca 0.00 1.17 0.05 0.00 1.01 0.00 0.00 58.87 61.10 1x5n n SER 2 Cb 0.00 -4.24 -0.02 0.00 -1.01 0.00 0.00 64.21 58.94 1x5n n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5n s SER 3 N -1.82 -0.11 0.00 6.43 0.15 -1.26 -5.14 113.70 111.95 1x5n s SER 3 Ca 0.00 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1x5n s SER 3 Cb 0.00 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1x5n s SER 3 CO 0.00 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1x5n n GLY 4 N 5.34 -0.66 2.93 9.45 0.00 -1.26 -5.16 105.19 115.83 1x5n n GLY 4 Ca -0.09 0.81 -0.15 0.00 0.00 0.00 0.00 46.02 46.60 1x5n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5n s SER 5 N 0.00 0.37 -0.37 1.61 0.01 -1.26 -5.02 113.70 109.04 1x5n s SER 5 Ca 0.00 0.44 0.07 0.00 1.31 0.00 0.00 55.95 57.77 1x5n s SER 5 Cb 0.00 0.42 0.62 0.00 0.21 0.00 0.00 66.02 67.27 1x5n s SER 5 CO 0.00 -0.22 1.73 -0.24 0.41 0.00 0.00 173.24 174.92 1x5n n SER 6 N 5.04 3.41 0.00 2.44 2.88 -1.26 -5.04 113.62 121.09 1x5n n SER 6 Ca -0.11 -3.61 0.00 0.00 -1.33 0.00 0.00 58.87 53.82 1x5n n SER 6 Cb 0.50 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1x5n n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5n n GLY 7 N -1.02 -1.01 3.07 0.46 0.00 -1.26 -4.93 105.19 100.50 1x5n n GLY 7 Ca 0.47 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 1x5n n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5n s SER 8 N -2.75 4.68 0.71 1.61 0.01 -1.26 -5.11 113.70 111.59 1x5n s SER 8 Ca 0.00 -1.68 -0.11 0.00 1.31 0.00 0.00 55.95 55.47 1x5n s SER 8 Cb 0.00 -1.62 0.02 0.00 0.21 0.00 0.00 66.02 64.63 1x5n s SER 8 CO 0.00 -0.29 1.07 -2.16 0.41 0.00 0.00 173.24 172.27 1x5n s PRO 9 N 1.06 2.81 0.00 12.44 0.04 -1.26 -5.01 135.00 145.08 1x5n s PRO 9 Ca -0.01 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1x5n s PRO 9 Cb -0.20 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1x5n s PRO 9 CO -0.05 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1x5n n GLY 10 N -2.00 3.38 3.65 0.56 0.00 -1.26 -5.19 105.19 104.34 1x5n n GLY 10 Ca 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 1x5n n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5n s ASN 11 N 0.00 -0.06 0.08 1.61 3.84 -1.26 -5.18 114.94 113.96 1x5n s ASN 11 Ca 0.00 0.12 0.04 0.00 0.21 0.00 0.00 52.86 53.23 1x5n s ASN 11 Cb 0.00 0.30 -0.03 0.00 -0.55 0.00 0.00 41.25 40.97 1x5n s ASN 11 CO 0.00 -0.02 -0.12 0.00 -2.79 0.00 0.00 177.10 174.17 1x5n s ARG 12 N 0.23 0.79 -0.17 0.43 1.70 -1.26 -5.14 118.95 115.53 1x5n s ARG 12 Ca 0.04 -1.00 -0.04 0.00 -0.47 0.00 0.00 55.73 54.27 1x5n s ARG 12 Cb -0.04 -0.65 -0.02 0.00 -0.57 0.00 0.00 34.95 33.66 1x5n s ARG 12 CO -0.14 0.13 -0.04 -1.83 -1.08 0.00 0.00 175.30 172.34 1x5n s GLU 13 N -2.08 3.62 0.00 3.89 -1.05 -1.26 -4.80 118.70 117.02 1x5n s GLU 13 Ca -0.00 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 1x5n s GLU 13 Cb -0.08 -2.94 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 1x5n s GLU 13 CO 0.01 0.16 0.00 -1.71 0.95 0.00 0.00 175.26 174.67 1x5n n ASN 14 N 3.78 0.00 -4.90 0.83 2.85 -1.26 -5.15 115.26 111.42 1x5n n ASN 14 Ca -0.17 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.06 1x5n n ASN 14 Cb 0.52 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.60 1x5n n ASN 14 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1x5n s LYS 15 N 0.00 2.24 -0.29 1.20 0.00 -1.26 -4.69 119.74 116.93 1x5n s LYS 15 Ca 0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 55.97 55.20 1x5n s LYS 15 Cb 0.00 -2.32 0.02 0.00 0.00 0.00 0.00 37.83 35.53 1x5n s LYS 15 CO 0.00 -1.06 0.35 0.39 0.00 0.00 0.00 175.35 175.03 1x5n n GLU 16 N -2.67 -1.82 -4.48 1.78 1.02 -1.24 -4.95 120.64 108.27 1x5n n GLU 16 Ca 0.09 1.62 -0.32 0.00 -0.02 0.00 0.00 57.16 58.53 1x5n n GLU 16 Cb 0.60 -3.04 -0.11 0.00 -0.02 0.00 0.00 31.44 28.87 1x5n n GLU 16 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1x5n s LYS 17 N -1.93 2.53 -0.04 3.49 -2.85 0.16 -4.95 119.74 116.15 1x5n s LYS 17 Ca 0.18 -0.73 -0.13 0.00 -1.00 0.00 0.00 55.97 54.29 1x5n s LYS 17 Cb -0.03 -2.49 -0.05 0.00 -2.06 0.00 0.00 37.83 33.20 1x5n s LYS 17 CO 0.59 0.60 0.35 0.21 0.10 0.00 0.00 175.35 177.20 1x5n s LYS 18 N -1.40 3.86 -0.04 1.78 2.36 -1.26 -0.78 119.74 124.26 1x5n s LYS 18 Ca 0.17 0.28 -0.02 0.00 -2.55 0.00 0.00 55.97 53.85 1x5n s LYS 18 Cb -0.11 -3.23 0.03 0.00 -1.05 0.00 0.00 37.83 33.47 1x5n s LYS 18 CO 0.07 0.66 0.07 0.14 1.55 0.00 0.00 175.35 177.84 1x5n s VAL 19 N -0.91 -0.10 -0.25 4.02 -7.23 0.46 -4.97 120.40 111.41 1x5n s VAL 19 Ca 0.22 0.33 -0.14 0.00 -1.81 0.00 0.00 61.98 60.58 1x5n s VAL 19 Cb -0.15 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.59 1x5n s VAL 19 CO 0.11 0.14 0.31 0.12 -0.31 0.00 0.00 175.10 175.46 1x5n s PHE 20 N 1.73 3.28 -0.25 2.82 2.19 -1.26 0.13 117.98 126.62 1x5n s PHE 20 Ca -0.01 0.37 -0.06 0.00 0.33 0.00 0.00 56.93 57.55 1x5n s PHE 20 Cb -0.12 -2.47 -0.01 0.00 -1.31 0.00 0.00 43.02 39.10 1x5n s PHE 20 CO -0.04 -0.11 0.05 0.42 1.83 0.00 0.00 175.22 177.37 1x5n s ILE 21 N 1.65 3.99 -0.29 3.12 -1.09 0.63 -4.93 121.20 124.28 1x5n s ILE 21 Ca 0.13 -0.39 -0.05 0.00 -2.23 0.00 0.00 60.65 58.11 1x5n s ILE 21 Cb -0.15 -2.91 0.02 0.00 -1.58 0.00 0.00 42.46 37.84 1x5n s ILE 21 CO 0.09 0.29 0.04 -0.94 -1.23 0.00 0.00 174.94 173.18 1x5n s SER 22 N 1.55 4.91 -1.33 3.58 1.04 -1.24 -1.22 113.70 120.99 1x5n s SER 22 Ca 0.05 -0.86 -0.08 0.00 0.48 0.00 0.00 55.95 55.54 1x5n s SER 22 Cb -0.15 -1.80 -0.06 0.00 0.10 0.00 0.00 66.02 64.10 1x5n s SER 22 CO 0.02 -0.20 2.92 0.18 0.98 0.00 0.00 173.24 177.14 1x5n n LEU 23 N 4.78 8.13 -4.46 2.42 7.99 0.32 -4.85 117.00 131.33 1x5n n LEU 23 Ca -0.15 -4.33 -0.22 0.00 -0.01 0.00 0.00 56.01 51.31 1x5n n LEU 23 Cb 0.47 -1.49 -0.11 0.00 -0.11 0.00 0.00 43.42 42.18 1x5n n LEU 23 CO 0.30 2.02 -0.32 0.68 -1.51 0.00 0.00 177.39 178.55 1x5n s VAL 24 N 1.17 1.52 0.00 4.08 -7.23 -1.25 -4.84 120.40 113.84 1x5n s VAL 24 Ca 0.66 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1x5n s VAL 24 Cb 0.21 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1x5n s VAL 24 CO -0.07 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 1x5n n GLY 25 N -0.67 -0.81 2.69 2.32 0.00 -1.26 -3.95 105.19 103.51 1x5n n GLY 25 Ca -0.04 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1x5n n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5n n SER 26 N -1.52 4.69 -3.19 1.61 3.41 -1.26 -4.70 113.62 112.65 1x5n n SER 26 Ca 0.00 -2.84 0.04 0.00 -0.26 0.00 0.00 58.87 55.81 1x5n n SER 26 Cb 0.00 -1.62 -0.04 0.00 -0.26 0.00 0.00 64.21 62.29 1x5n n SER 26 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1x5n s ARG 27 N 2.70 0.05 -0.54 4.33 0.52 -1.25 -5.07 118.95 119.69 1x5n s ARG 27 Ca 0.49 0.13 0.06 0.00 -0.52 0.00 0.00 55.73 55.89 1x5n s ARG 27 Cb 0.14 0.08 0.35 0.00 0.52 0.00 0.00 34.95 36.04 1x5n s ARG 27 CO -0.08 -0.02 0.96 0.41 0.02 0.00 0.00 175.30 176.59 1x5n n GLY 28 N 4.66 5.46 1.29 -3.53 0.00 -1.26 -3.87 105.19 107.94 1x5n n GLY 28 Ca -0.07 -2.68 0.07 0.00 0.00 0.00 0.00 46.02 43.34 1x5n n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x5n n LEU 29 N -0.24 -1.18 -1.06 0.99 7.94 -1.26 -4.95 117.00 117.23 1x5n n LEU 29 Ca 0.31 2.28 -0.03 0.00 -1.11 0.00 0.00 56.01 57.46 1x5n n LEU 29 Cb 0.46 -2.57 -0.04 0.00 0.53 0.00 0.00 43.42 41.80 1x5n n LEU 29 CO 0.33 -1.22 0.26 0.61 -1.11 0.00 0.00 177.39 176.26 1x5n n GLY 30 N -3.17 0.67 3.41 -3.96 0.00 -1.26 -4.84 105.19 96.03 1x5n n GLY 30 Ca -0.04 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1x5n n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5n s SER 32 N -1.15 6.38 0.02 0.00 0.15 0.28 -4.95 113.70 114.44 1x5n s SER 32 Ca 0.13 0.46 0.04 0.00 0.70 0.00 0.00 55.95 57.28 1x5n s SER 32 Cb -0.10 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1x5n s SER 32 CO 0.03 0.35 -0.10 0.27 1.20 0.00 0.00 173.24 174.99 1x5n s ILE 33 N -0.70 3.41 -0.00 6.45 -4.36 -1.26 0.15 121.20 124.90 1x5n s ILE 33 Ca 0.14 -0.90 0.05 0.00 -0.26 0.00 0.00 60.65 59.69 1x5n s ILE 33 Cb -0.12 -2.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.09 1x5n s ILE 33 CO 0.03 0.37 -0.17 -0.44 0.24 0.00 0.00 174.94 174.98 1x5n s SER 34 N -1.45 1.97 -0.04 4.36 0.01 0.19 -4.85 113.70 113.89 1x5n s SER 34 Ca 0.17 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 1x5n s SER 34 Cb -0.11 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1x5n s SER 34 CO 0.07 0.18 1.05 -0.94 0.41 0.00 0.00 173.24 174.02 1x5n s SER 35 N -0.54 7.24 0.84 2.44 1.04 -1.26 -2.37 113.70 121.08 1x5n s SER 35 Ca 0.06 1.69 -0.12 0.00 0.48 0.00 0.00 55.95 58.06 1x5n s SER 35 Cb -0.07 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.58 1x5n s SER 35 CO -0.00 -0.40 1.11 -0.83 0.98 0.00 0.00 173.24 174.09 1x5n s GLY 36 N 1.12 1.61 0.39 7.32 0.00 -1.14 -4.96 107.32 111.66 1x5n s GLY 36 Ca 0.52 -0.27 -0.07 0.00 0.00 0.00 0.00 44.72 44.91 1x5n s GLY 36 CO 0.24 0.20 0.43 -1.55 0.00 0.00 0.00 173.10 172.41 1x5n n PRO 37 N -3.57 -1.09 0.15 2.90 -0.04 -1.09 -4.48 135.00 127.78 1x5n n PRO 37 Ca 0.07 -0.67 -0.01 0.00 -0.04 0.00 0.00 63.50 62.86 1x5n n PRO 37 Cb 0.57 -0.53 0.21 0.00 -0.04 0.00 0.00 33.50 33.71 1x5n n PRO 37 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1x5n h ILE 38 N -1.59 1.41 0.00 0.52 6.09 -1.97 0.59 117.51 122.55 1x5n h ILE 38 Ca -0.15 -1.95 -0.18 0.00 -1.37 0.00 0.00 64.86 61.21 1x5n h ILE 38 Cb 0.43 2.05 -0.03 0.00 0.47 0.00 0.00 36.82 39.75 1x5n h ILE 38 CO 0.10 0.56 -0.84 0.06 -3.07 0.00 0.00 178.15 174.96 1x5n h GLN 39 N 0.00 0.00 -2.03 2.19 3.07 -2.04 -3.36 115.11 112.94 1x5n h GLN 39 Ca -0.01 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.22 1x5n h GLN 39 Cb 1.01 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.17 1x5n h GLN 39 CO 0.07 0.84 -1.12 1.17 0.09 0.00 0.00 178.83 179.89 1x5n n LYS 40 N -3.43 1.14 -2.53 0.06 4.81 -1.06 -5.11 118.16 112.04 1x5n n LYS 40 Ca 0.00 -3.50 -0.37 0.00 -0.87 0.00 0.00 58.31 53.57 1x5n n LYS 40 Cb 0.84 -1.65 -0.04 0.00 0.02 0.00 0.00 35.03 34.19 1x5n n LYS 40 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1x5n s PRO 41 N -2.23 4.26 0.00 1.64 0.04 0.20 -2.67 135.00 136.24 1x5n s PRO 41 Ca 0.40 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1x5n s PRO 41 Cb 0.30 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1x5n s PRO 41 CO -0.09 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1x5n n GLY 42 N 0.53 0.00 3.04 0.56 0.00 -1.20 -4.69 105.19 103.44 1x5n n GLY 42 Ca 0.04 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 1x5n n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5n s ILE 43 N -3.64 1.35 0.06 -0.61 -1.09 -1.25 -2.87 121.20 113.16 1x5n s ILE 43 Ca 0.00 -0.57 0.03 0.00 -2.23 0.00 0.00 60.65 57.88 1x5n s ILE 43 Cb 0.00 -1.24 -0.03 0.00 -1.58 0.00 0.00 42.46 39.61 1x5n s ILE 43 CO 0.00 0.41 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.66 1x5n s PHE 44 N 0.93 0.91 0.22 3.97 0.40 -1.00 0.19 117.98 123.59 1x5n s PHE 44 Ca -0.09 -0.54 -0.24 0.00 -0.60 0.00 0.00 56.93 55.46 1x5n s PHE 44 Cb -0.15 -0.52 -0.08 0.00 0.51 0.00 0.00 43.02 42.77 1x5n s PHE 44 CO -0.00 -0.03 0.80 0.42 0.70 0.00 0.00 175.22 177.11 1x5n s ILE 45 N -1.69 4.37 -0.11 0.64 1.01 -1.17 0.55 121.20 124.81 1x5n s ILE 45 Ca -0.04 1.63 0.04 0.00 0.00 0.00 0.00 60.65 62.29 1x5n s ILE 45 Cb -0.08 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.25 1x5n s ILE 45 CO 0.01 0.36 -0.06 -0.24 0.00 0.00 0.00 174.94 175.01 1x5n n SER 46 N 1.14 2.86 -3.53 3.58 2.88 0.41 -2.65 113.62 118.32 1x5n n SER 46 Ca -0.03 -0.04 -0.13 0.00 -1.33 0.00 0.00 58.87 57.33 1x5n n SER 46 Cb 0.49 0.15 -0.04 0.00 -0.75 0.00 0.00 64.21 64.07 1x5n n SER 46 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1x5n s HIS 47 N -2.25 -0.47 -0.15 0.66 5.65 -1.21 -4.87 115.29 112.66 1x5n s HIS 47 Ca -0.12 0.46 -0.11 0.00 0.25 0.00 0.00 55.06 55.54 1x5n s HIS 47 Cb 0.04 0.41 0.05 0.00 -1.18 0.00 0.00 32.58 31.89 1x5n s HIS 47 CO 0.33 -0.71 0.37 0.54 -0.65 0.00 0.00 174.74 174.62 1x5n s VAL 48 N -2.81 -0.01 0.47 0.89 0.11 -1.26 0.10 120.40 117.88 1x5n s VAL 48 Ca -0.03 0.05 -0.22 0.00 -2.93 0.00 0.00 61.98 58.85 1x5n s VAL 48 Cb -0.00 -0.54 -0.08 0.00 -1.53 0.00 0.00 36.38 34.23 1x5n s VAL 48 CO -0.05 0.02 1.12 -0.54 -3.33 0.00 0.00 175.10 172.33 1x5n s LYS 49 N 0.77 3.77 -0.83 1.54 1.02 -0.47 -4.88 119.74 120.67 1x5n s LYS 49 Ca -0.05 1.65 -0.07 0.00 0.02 0.00 0.00 55.97 57.52 1x5n s LYS 49 Cb -0.06 -2.32 -0.11 0.00 -0.52 0.00 0.00 37.83 34.82 1x5n s LYS 49 CO -0.05 -0.51 2.60 -0.35 -0.92 0.00 0.00 175.35 176.11 1x5n n PRO 50 N -0.61 2.37 0.00 -1.68 -0.04 -1.26 -2.84 135.00 130.94 1x5n n PRO 50 Ca 0.08 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1x5n n PRO 50 Cb 0.49 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1x5n n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5n n GLY 51 N 3.34 0.00 2.70 0.55 0.00 -1.26 -5.06 105.19 105.45 1x5n n GLY 51 Ca 0.51 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.31 1x5n n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5n n SER 52 N 0.00 2.67 0.19 1.61 3.41 -1.13 -4.91 113.62 115.46 1x5n n SER 52 Ca 0.00 -2.50 0.13 0.00 -0.26 0.00 0.00 58.87 56.24 1x5n n SER 52 Cb 0.00 0.12 0.67 0.00 -0.26 0.00 0.00 64.21 64.74 1x5n n SER 52 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1x5n h LEU 53 N 0.00 0.00 0.08 1.04 -0.00 -1.91 0.84 115.31 115.36 1x5n h LEU 53 Ca -0.28 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.24 1x5n h LEU 53 Cb 0.92 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.55 1x5n h LEU 53 CO 0.46 0.00 -2.00 -1.54 -0.00 0.00 0.00 178.44 175.35 1x5n n SER 54 N -2.40 2.06 -0.15 -0.43 3.41 -1.26 -3.93 113.62 110.91 1x5n n SER 54 Ca -0.01 0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1x5n n SER 54 Cb 0.08 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1x5n n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5n h ALA 55 N -0.07 0.58 -0.88 7.33 0.00 -1.47 1.75 119.26 126.51 1x5n h ALA 55 Ca -0.45 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.51 1x5n h ALA 55 Cb 1.89 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 1x5n h ALA 55 CO -0.01 0.19 0.58 1.05 0.00 0.00 0.00 179.25 181.06 1x5n h GLU 56 N 0.58 0.38 0.00 0.00 4.11 -1.06 0.50 114.58 119.10 1x5n h GLU 56 Ca 0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1x5n h GLU 56 Cb 0.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1x5n h GLU 56 CO -0.01 0.25 -1.16 1.33 0.07 0.00 0.00 179.01 179.49 1x5n n VAL 57 N -4.50 0.50 -0.63 -1.06 0.24 -0.79 -4.96 118.33 107.14 1x5n n VAL 57 Ca 0.18 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1x5n n VAL 57 Cb 0.68 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1x5n n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5n n GLY 58 N 1.20 1.10 3.76 7.63 0.00 0.23 -5.04 105.19 114.06 1x5n n GLY 58 Ca -0.01 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1x5n n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5n s LEU 59 N 0.00 4.41 0.31 0.99 1.43 0.53 -4.93 118.68 121.42 1x5n s LEU 59 Ca 0.00 2.67 0.04 0.00 -1.03 0.00 0.00 54.13 55.82 1x5n s LEU 59 Cb 0.00 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 1x5n s LEU 59 CO 0.00 -0.59 0.03 -1.61 0.23 0.00 0.00 176.35 174.41 1x5n s GLU 60 N -1.26 1.62 0.35 1.70 2.02 -1.26 -4.50 118.70 117.37 1x5n s GLU 60 Ca 0.53 -1.88 -0.28 0.00 0.02 0.00 0.00 54.97 53.35 1x5n s GLU 60 Cb -0.40 -0.91 -0.11 0.00 0.10 0.00 0.00 34.13 32.81 1x5n s GLU 60 CO 0.49 -0.14 1.45 0.42 0.02 0.00 0.00 175.26 177.50 1x5n s ILE 61 N -3.25 2.23 0.00 -1.63 1.01 -1.26 -2.50 121.20 115.80 1x5n s ILE 61 Ca 0.35 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1x5n s ILE 61 Cb 0.08 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1x5n s ILE 61 CO 0.15 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1x5n n GLY 62 N 0.75 2.47 3.53 6.18 0.00 -1.08 -4.60 105.19 112.43 1x5n n GLY 62 Ca 0.02 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1x5n n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5n n ASP 63 N 0.23 0.95 -4.70 1.61 8.00 -1.04 -1.48 116.55 120.12 1x5n n ASP 63 Ca 0.00 -0.40 -0.41 0.00 0.71 0.00 0.00 54.79 54.69 1x5n n ASP 63 Cb 0.00 -1.20 -0.04 0.00 -0.02 0.00 0.00 41.12 39.86 1x5n n ASP 63 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1x5n s GLN 64 N 8.46 4.42 -0.50 -1.24 0.74 -1.26 -3.02 119.66 127.26 1x5n s GLN 64 Ca 1.16 1.14 -0.28 0.00 0.05 0.00 0.00 55.36 57.43 1x5n s GLN 64 Cb -0.67 -3.51 0.03 0.00 1.10 0.00 0.00 33.01 29.97 1x5n s GLN 64 CO 0.37 -0.15 1.13 0.42 -0.55 0.00 0.00 175.29 176.51 1x5n s ILE 65 N 1.47 4.19 -0.13 -2.34 1.01 0.49 -3.46 121.20 122.44 1x5n s ILE 65 Ca 0.43 1.10 0.19 0.00 0.00 0.00 0.00 60.65 62.37 1x5n s ILE 65 Cb -0.18 -4.62 -0.26 0.00 0.01 0.00 0.00 42.46 37.41 1x5n s ILE 65 CO 0.19 -1.07 0.34 1.33 0.00 0.00 0.00 174.94 175.73 1x5n n VAL 66 N 6.77 0.89 -3.88 2.92 0.24 -0.86 -3.91 118.33 120.51 1x5n n VAL 66 Ca 0.11 -0.71 -0.10 0.00 -2.04 0.00 0.00 64.34 61.59 1x5n n VAL 66 Cb 0.49 -0.36 -0.09 0.00 -1.47 0.00 0.00 33.84 32.41 1x5n n VAL 66 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1x5n s GLU 67 N -2.91 0.60 -0.24 7.34 2.12 -1.18 -1.48 118.70 122.94 1x5n s GLU 67 Ca -0.08 -0.58 -0.04 0.00 0.36 0.00 0.00 54.97 54.63 1x5n s GLU 67 Cb 0.09 0.24 0.13 0.00 0.26 0.00 0.00 34.13 34.85 1x5n s GLU 67 CO 0.85 -0.16 0.42 0.08 -0.54 0.00 0.00 175.26 175.91 1x5n s VAL 68 N -2.17 -0.67 -1.32 3.70 1.01 -0.29 -0.30 120.40 120.36 1x5n s VAL 68 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1x5n s VAL 68 Cb -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1x5n s VAL 68 CO -0.02 -0.06 0.00 -3.20 0.00 0.00 0.00 175.10 171.82 1x5n n ASN 69 N 5.38 -4.03 0.00 3.32 2.85 0.59 0.14 115.26 123.51 1x5n n ASN 69 Ca -0.05 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 1x5n n ASN 69 Cb 0.50 -3.54 0.00 0.00 1.24 0.00 0.00 39.78 37.98 1x5n n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5n n GLY 70 N -0.60 0.67 3.75 8.20 0.00 -1.26 -4.89 105.19 111.06 1x5n n GLY 70 Ca -0.15 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 1x5n n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5n s VAL 71 N -2.00 5.38 -1.04 1.61 1.01 0.38 -5.00 120.40 120.75 1x5n s VAL 71 Ca 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 1x5n s VAL 71 Cb 0.00 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.86 1x5n s VAL 71 CO 0.00 0.47 1.98 -0.62 0.00 0.00 0.00 175.10 176.93 1x5n s ASP 72 N 0.14 4.89 -0.08 3.32 -1.08 -1.26 -1.14 116.67 121.45 1x5n s ASP 72 Ca 0.09 -1.10 0.06 0.00 -0.52 0.00 0.00 52.55 51.08 1x5n s ASP 72 Cb -0.11 -2.58 0.32 0.00 -1.46 0.00 0.00 42.92 39.09 1x5n s ASP 72 CO -0.01 -3.12 1.03 0.49 0.52 0.00 0.00 175.17 174.09 1x5n n PHE 73 N 14.88 0.76 0.04 -5.34 3.01 -0.55 -4.11 117.46 126.15 1x5n n PHE 73 Ca 0.43 -0.27 -0.09 0.00 1.01 0.00 0.00 57.45 58.52 1x5n n PHE 73 Cb 0.46 -0.22 -0.07 0.00 -0.01 0.00 0.00 39.48 39.65 1x5n n PHE 73 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5n h SER 74 N 1.61 -0.16 -1.62 4.37 0.87 -1.63 -3.34 113.55 113.65 1x5n h SER 74 Ca 0.00 -0.34 -0.65 0.00 -1.23 0.00 0.00 61.79 59.57 1x5n h SER 74 Cb 0.98 0.04 -0.37 0.00 -0.44 0.00 0.00 62.40 62.61 1x5n h SER 74 CO 0.16 0.43 -0.07 0.59 -0.53 0.00 0.00 176.83 177.41 1x5n n ASN 75 N -4.88 5.78 -1.80 6.23 3.02 -1.26 -3.21 115.26 119.14 1x5n n ASN 75 Ca -0.07 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.72 1x5n n ASN 75 Cb 0.25 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1x5n n ASN 75 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x5n n LEU 76 N -0.53 0.00 -4.36 3.41 4.77 -1.26 -5.01 117.00 114.03 1x5n n LEU 76 Ca 0.45 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 56.25 1x5n n LEU 76 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1x5n n LEU 76 CO 0.41 -0.31 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.27 1x5n s ASP 77 N -1.00 1.65 0.00 -1.43 2.15 -1.26 -4.69 116.67 112.09 1x5n s ASP 77 Ca 0.00 -1.35 0.17 0.00 0.43 0.00 0.00 52.55 51.80 1x5n s ASP 77 Cb 0.00 0.06 0.84 0.00 -0.30 0.00 0.00 42.92 43.52 1x5n s ASP 77 CO 0.00 -0.66 1.51 1.57 -0.17 0.00 0.00 175.17 177.42 1x5n n HIS 78 N -0.52 0.00 -0.06 -5.34 -0.00 -1.26 0.36 115.22 108.40 1x5n n HIS 78 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.63 1x5n n HIS 78 Cb 0.66 -0.32 -0.07 0.00 -0.00 0.00 0.00 29.99 30.26 1x5n n HIS 78 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1x5n n LYS 79 N -1.32 0.99 0.08 1.57 4.76 -1.26 -4.00 118.16 118.98 1x5n n LYS 79 Ca 0.07 0.05 -0.17 0.00 -2.87 0.00 0.00 58.31 55.40 1x5n n LYS 79 Cb 0.15 -1.27 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 1x5n n LYS 79 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1x5n h GLU 80 N 0.00 0.48 -0.15 1.97 4.39 -1.88 0.30 114.58 119.67 1x5n h GLU 80 Ca -0.29 -0.58 -0.15 0.00 0.34 0.00 0.00 59.36 58.68 1x5n h GLU 80 Cb 1.52 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 30.34 1x5n h GLU 80 CO -0.03 1.22 -0.55 0.00 -1.16 0.00 0.00 179.01 178.49 1x5n h ALA 81 N 0.57 0.75 0.14 3.43 0.00 -0.34 -0.45 119.26 123.36 1x5n h ALA 81 Ca -0.12 -0.51 -0.28 0.00 0.00 0.00 0.00 54.91 53.99 1x5n h ALA 81 Cb 1.73 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.45 1x5n h ALA 81 CO 0.19 0.69 -1.25 0.28 0.00 0.00 0.00 179.25 179.17 1x5n h VAL 82 N 0.36 1.42 -0.25 0.00 2.07 -1.69 -1.05 116.25 117.11 1x5n h VAL 82 Ca 0.01 -2.83 -0.01 0.00 0.82 0.00 0.00 66.70 64.68 1x5n h VAL 82 Cb 1.08 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.70 1x5n h VAL 82 CO 0.10 0.84 0.10 -1.13 0.02 0.00 0.00 177.57 177.50 1x5n h ASN 83 N 0.14 0.34 0.22 0.57 -1.24 -0.31 1.53 115.58 116.83 1x5n h ASN 83 Ca -0.16 -0.16 -0.13 0.00 0.71 0.00 0.00 56.30 56.57 1x5n h ASN 83 Cb 1.95 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.90 1x5n h ASN 83 CO 0.22 0.40 -0.47 0.58 -1.29 0.00 0.00 177.43 176.87 1x5n h VAL 84 N 0.26 1.33 -0.12 2.57 2.07 -1.14 0.90 116.25 122.11 1x5n h VAL 84 Ca 0.08 -1.68 -0.19 0.00 0.82 0.00 0.00 66.70 65.73 1x5n h VAL 84 Cb 0.16 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1x5n h VAL 84 CO -0.01 0.50 -0.72 -0.07 0.02 0.00 0.00 177.57 177.30 1x5n h LEU 85 N 0.25 0.65 -0.68 2.57 3.38 -0.72 -2.81 115.31 117.94 1x5n h LEU 85 Ca 0.01 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1x5n h LEU 85 Cb 0.93 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1x5n h LEU 85 CO 0.08 1.17 -0.16 2.29 0.09 0.00 0.00 178.44 181.91 1x5n n LYS 86 N -3.89 1.16 0.49 1.13 2.85 0.52 -4.20 118.16 116.22 1x5n n LYS 86 Ca -0.05 -0.68 -0.20 0.00 -1.05 0.00 0.00 58.31 56.32 1x5n n LYS 86 Cb 0.70 -1.49 -0.10 0.00 -0.65 0.00 0.00 35.03 33.50 1x5n n LYS 86 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1x5n h SER 87 N 1.67 -1.18 -4.28 -5.58 0.87 0.11 -3.46 113.55 101.70 1x5n h SER 87 Ca 0.00 0.05 -0.42 0.00 -1.23 0.00 0.00 61.79 60.19 1x5n h SER 87 Cb 0.51 0.32 -0.08 0.00 -0.44 0.00 0.00 62.40 62.71 1x5n h SER 87 CO 0.00 -0.79 -0.31 -0.24 -0.53 0.00 0.00 176.83 174.97 1x5n n SER 88 N -5.58 2.87 -0.09 6.23 2.88 -1.25 -5.07 113.62 113.60 1x5n n SER 88 Ca -0.16 -2.42 -0.14 0.00 -1.33 0.00 0.00 58.87 54.83 1x5n n SER 88 Cb 0.52 0.23 -0.06 0.00 -0.75 0.00 0.00 64.21 64.15 1x5n n SER 88 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x5n n ARG 89 N -0.80 0.51 -3.16 -1.46 5.12 -1.26 -4.79 116.66 110.81 1x5n n ARG 89 Ca -0.13 0.49 -0.40 0.00 -1.93 0.00 0.00 57.85 55.88 1x5n n ARG 89 Cb 0.41 -1.67 -0.07 0.00 -1.16 0.00 0.00 32.46 29.97 1x5n n ARG 89 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1x5n s SER 90 N -6.32 6.55 0.00 0.55 0.01 -1.26 -0.52 113.70 112.71 1x5n s SER 90 Ca -0.24 0.67 -0.01 0.00 1.31 0.00 0.00 55.95 57.69 1x5n s SER 90 Cb 0.05 -2.32 -0.00 0.00 0.21 0.00 0.00 66.02 63.96 1x5n s SER 90 CO 0.40 -0.31 0.01 -0.76 0.41 0.00 0.00 173.24 172.99 1x5n s LEU 91 N 2.25 2.00 -0.54 2.44 1.43 -0.36 -4.99 118.68 120.91 1x5n s LEU 91 Ca 0.25 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 1x5n s LEU 91 Cb -0.16 0.09 0.11 0.00 0.03 0.00 0.00 46.19 46.26 1x5n s LEU 91 CO 0.09 -0.09 0.55 -0.89 0.23 0.00 0.00 176.35 176.25 1x5n s THR 92 N -0.38 5.08 0.13 5.49 2.01 -1.26 -0.27 115.64 126.44 1x5n s THR 92 Ca -0.04 -1.24 -0.16 0.00 0.31 0.00 0.00 61.69 60.56 1x5n s THR 92 Cb -0.03 -4.35 -0.07 0.00 0.01 0.00 0.00 72.50 68.06 1x5n s THR 92 CO -0.00 -0.90 0.56 -0.63 -0.69 0.00 0.00 174.62 172.96 1x5n s ILE 93 N 1.98 4.82 -0.30 1.82 1.01 0.34 0.22 121.20 131.09 1x5n s ILE 93 Ca 0.06 0.94 0.02 0.00 0.00 0.00 0.00 60.65 61.67 1x5n s ILE 93 Cb -0.27 -3.77 0.09 0.00 0.01 0.00 0.00 42.46 38.51 1x5n s ILE 93 CO 0.05 0.31 0.03 -0.55 0.00 0.00 0.00 174.94 174.78 1x5n s SER 94 N -1.58 4.31 0.37 3.58 0.15 0.59 0.17 113.70 121.29 1x5n s SER 94 Ca 0.36 -1.71 0.07 0.00 0.70 0.00 0.00 55.95 55.37 1x5n s SER 94 Cb -0.16 -1.30 -0.00 0.00 -1.71 0.00 0.00 66.02 62.85 1x5n s SER 94 CO 0.19 -0.34 0.50 0.27 1.20 0.00 0.00 173.24 175.06 1x5n s ILE 95 N 1.24 3.61 -0.40 6.45 -4.36 0.04 -2.02 121.20 125.76 1x5n s ILE 95 Ca 0.05 -1.02 0.05 0.00 -0.26 0.00 0.00 60.65 59.47 1x5n s ILE 95 Cb -0.19 -3.24 0.49 0.00 1.25 0.00 0.00 42.46 40.78 1x5n s ILE 95 CO -0.12 -0.09 1.57 0.52 0.24 0.00 0.00 174.94 177.06 1x5n n VAL 96 N -1.71 2.88 -2.98 8.37 0.31 -1.22 0.41 118.33 124.38 1x5n n VAL 96 Ca 0.03 -3.14 -0.01 0.00 -0.01 0.00 0.00 64.34 61.21 1x5n n VAL 96 Cb 0.59 -0.77 -0.01 0.00 -0.91 0.00 0.00 33.84 32.74 1x5n n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5n n ALA 97 N -0.96 -2.19 -3.93 3.52 0.00 -1.26 -3.46 120.51 112.22 1x5n n ALA 97 Ca 0.46 0.49 -0.40 0.00 0.00 0.00 0.00 53.44 53.99 1x5n n ALA 97 Cb 0.98 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 19.16 1x5n n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n n ALA 98 N 1.69 -2.56 0.37 0.00 0.00 -1.26 -4.85 120.51 113.89 1x5n n ALA 98 Ca -0.07 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 52.75 1x5n n ALA 98 Cb 0.28 -3.14 -0.09 0.00 0.00 0.00 0.00 19.45 16.51 1x5n n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n h ALA 99 N 1.30 -0.92 -1.88 0.00 0.00 -1.39 -3.29 119.26 113.08 1x5n h ALA 99 Ca -0.69 -0.22 -0.66 0.00 0.00 0.00 0.00 54.91 53.34 1x5n h ALA 99 Cb 1.39 0.36 -0.37 0.00 0.00 0.00 0.00 17.79 19.16 1x5n h ALA 99 CO 0.51 -0.97 -0.11 0.41 0.00 0.00 0.00 179.25 179.09 1x5n n GLY 100 N -1.20 5.80 0.21 0.00 0.00 -0.55 -4.77 105.19 104.68 1x5n n GLY 100 Ca -0.13 -2.72 -0.09 0.00 0.00 0.00 0.00 46.02 43.08 1x5n n GLY 100 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x5n h ARG 101 N 3.29 0.53 -0.22 1.61 2.43 -1.71 -2.82 114.38 117.49 1x5n h ARG 101 Ca 0.28 -0.32 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1x5n h ARG 101 Cb 0.47 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1x5n h ARG 101 CO 0.95 0.93 0.16 1.05 -1.51 0.00 0.00 179.97 181.55 1x5n h GLU 102 N 0.41 0.00 -0.97 0.20 4.11 -1.89 -0.21 114.58 116.22 1x5n h GLU 102 Ca 0.01 0.00 0.16 0.00 0.07 0.00 0.00 59.36 59.60 1x5n h GLU 102 Cb 1.07 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.23 1x5n h GLU 102 CO 0.10 0.00 0.61 -0.07 0.07 0.00 0.00 179.01 179.72 1x5n h LEU 103 N 0.00 0.78 -5.21 3.06 3.38 -1.89 -1.12 115.31 114.31 1x5n h LEU 103 Ca 0.11 0.06 -0.76 0.00 0.09 0.00 0.00 57.88 57.38 1x5n h LEU 103 Cb 0.43 -0.09 -0.29 0.00 0.09 0.00 0.00 40.66 40.81 1x5n h LEU 103 CO -0.00 0.36 0.84 0.49 0.09 0.00 0.00 178.44 180.21 1x5n n PHE 104 N -4.64 3.01 -2.76 1.13 3.72 -0.09 -5.00 117.46 112.83 1x5n n PHE 104 Ca 0.20 -2.50 -0.42 0.00 -0.05 0.00 0.00 57.45 54.69 1x5n n PHE 104 Cb 0.48 -1.06 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 1x5n n PHE 104 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1x5n s MET 105 N -4.06 4.49 0.30 -1.08 -1.94 -0.43 -4.73 119.30 111.86 1x5n s MET 105 Ca 0.49 1.31 0.00 0.00 -1.71 0.00 0.00 55.69 55.78 1x5n s MET 105 Cb 0.38 -3.48 0.00 0.00 2.01 0.00 0.00 34.83 33.74 1x5n s MET 105 CO -0.33 -0.11 0.00 2.41 -0.01 0.00 0.00 175.02 176.98 1x5n n THR 106 N 4.08 -8.68 -4.09 2.05 -1.04 -1.26 -5.00 114.28 100.34 1x5n n THR 106 Ca 0.05 2.88 -0.30 0.00 -2.04 0.00 0.00 64.05 64.64 1x5n n THR 106 Cb 0.50 -4.21 -0.07 0.00 -1.82 0.00 0.00 70.33 64.73 1x5n n THR 106 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1x5n s ASP 107 N -1.39 5.28 0.15 8.00 1.11 -1.26 -5.02 116.67 123.54 1x5n s ASP 107 Ca 0.00 -0.10 0.00 0.00 0.18 0.00 0.00 52.55 52.63 1x5n s ASP 107 Cb 0.00 -1.34 0.00 0.00 1.07 0.00 0.00 42.92 42.65 1x5n s ASP 107 CO 0.00 0.17 0.00 -1.14 1.18 0.00 0.00 175.17 175.38 1x5n n ARG 108 N 0.46 0.00 -1.60 8.23 3.00 -1.26 -5.01 116.66 120.48 1x5n n ARG 108 Ca -0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.34 1x5n n ARG 108 Cb 0.52 -0.30 -0.03 0.00 0.00 0.00 0.00 32.46 32.64 1x5n n ARG 108 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1x5n s SER 109 N -5.51 5.25 0.20 6.15 0.15 -1.26 -4.94 113.70 113.73 1x5n s SER 109 Ca 0.00 1.72 0.10 0.00 0.70 0.00 0.00 55.95 58.47 1x5n s SER 109 Cb 0.00 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1x5n s SER 109 CO 0.00 -2.15 -0.20 -0.83 1.20 0.00 0.00 173.24 171.27 1x5n s GLY 110 N 9.08 1.57 0.88 9.45 0.00 -1.26 -5.15 107.32 121.90 1x5n s GLY 110 Ca 1.00 -1.63 -0.12 0.00 0.00 0.00 0.00 44.72 43.97 1x5n s GLY 110 CO 0.33 -1.69 1.13 2.56 0.00 0.00 0.00 173.10 175.43 1x5n s PRO 111 N -3.02 1.38 0.40 2.90 0.04 -1.26 -4.89 135.00 130.55 1x5n s PRO 111 Ca 0.21 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1x5n s PRO 111 Cb -0.05 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1x5n s PRO 111 CO 0.09 -2.05 0.00 0.43 0.04 0.00 0.00 177.00 175.51 1x5n n SER 112 N -3.68 -6.73 -3.19 6.66 7.64 -1.26 -4.90 113.62 108.15 1x5n n SER 112 Ca 0.07 0.86 -0.19 0.00 1.01 0.00 0.00 58.87 60.62 1x5n n SER 112 Cb 0.59 -4.06 0.02 0.00 -1.01 0.00 0.00 64.21 59.75 1x5n n SER 112 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5n n SER 113 N -4.25 -6.61 0.00 6.43 3.41 -1.26 -5.22 113.62 106.12 1x5n n SER 113 Ca -0.04 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1x5n n SER 113 Cb 0.63 -2.92 0.00 0.00 -0.26 0.00 0.00 64.21 61.66 1x5n n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49