#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rda s LEU 2 N 0.00 4.40 0.29 -0.89 1.43 -1.26 -4.99 118.68 117.66 1rda s LEU 2 Ca 0.00 1.68 0.15 0.00 -1.03 0.00 0.00 54.13 54.94 1rda s LEU 2 Cb 0.00 -3.56 0.23 0.00 0.03 0.00 0.00 46.19 42.88 1rda s LEU 2 CO 0.00 -0.21 1.52 0.11 0.23 0.00 0.00 176.35 178.00 1rda h LYS 3 N 6.51 0.00 -6.53 1.70 1.79 -1.99 -3.45 116.57 114.60 1rda h LYS 3 Ca -0.41 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.37 1rda h LYS 3 Cb 1.22 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.66 1rda h LYS 3 CO 0.74 0.51 -0.78 -1.14 -1.08 0.00 0.00 179.45 177.70 1rda s GLN 4 N -3.13 2.14 -0.08 3.15 0.74 -1.26 -4.90 119.66 116.32 1rda s GLN 4 Ca 0.03 -0.95 -0.30 0.00 0.05 0.00 0.00 55.36 54.19 1rda s GLN 4 Cb 0.09 -2.25 -0.02 0.00 1.10 0.00 0.00 33.01 31.93 1rda s GLN 4 CO 0.73 0.54 1.06 0.08 -0.55 0.00 0.00 175.29 177.16 1rda s VAL 5 N -0.98 4.63 -0.13 1.34 1.01 -0.49 -4.95 120.40 120.83 1rda s VAL 5 Ca 0.16 1.91 -0.01 0.00 0.00 0.00 0.00 61.98 64.04 1rda s VAL 5 Cb -0.11 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1rda s VAL 5 CO 0.07 0.01 -0.10 -1.61 0.00 0.00 0.00 175.10 173.47 1rda s GLU 6 N 1.98 3.39 -0.04 2.72 2.02 -0.85 -1.60 118.70 126.32 1rda s GLU 6 Ca 0.51 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 54.91 1rda s GLU 6 Cb -0.20 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1rda s GLU 6 CO 0.20 0.27 -0.15 0.42 0.02 0.00 0.00 175.26 176.02 1rda s ILE 7 N 0.22 1.31 -0.07 -1.63 1.01 -0.79 0.20 121.20 121.45 1rda s ILE 7 Ca -0.06 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1rda s ILE 7 Cb -0.15 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.20 1rda s ILE 7 CO 0.04 0.38 -0.11 -0.36 0.00 0.00 0.00 174.94 174.90 1rda s PHE 8 N 0.15 1.40 0.10 3.97 0.08 0.19 -1.11 117.98 122.77 1rda s PHE 8 Ca -0.06 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.49 1rda s PHE 8 Cb -0.12 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.23 1rda s PHE 8 CO 0.02 -0.31 -0.11 0.95 -0.10 0.00 0.00 175.22 175.68 1rda s THR 9 N 0.85 1.01 -0.16 0.64 -4.23 -0.97 -1.98 115.64 110.80 1rda s THR 9 Ca -0.11 -1.67 -0.29 0.00 -1.18 0.00 0.00 61.69 58.44 1rda s THR 9 Cb -0.15 -1.40 0.10 0.00 1.34 0.00 0.00 72.50 72.38 1rda s THR 9 CO 0.01 -0.54 0.87 0.21 -0.54 0.00 0.00 174.62 174.63 1rda s ASN 10 N -2.47 -0.53 0.09 3.99 3.84 0.14 -4.42 114.94 115.58 1rda s ASN 10 Ca 0.06 0.73 0.04 0.00 0.21 0.00 0.00 52.86 53.90 1rda s ASN 10 Cb -0.03 0.64 -0.03 0.00 -0.55 0.00 0.00 41.25 41.28 1rda s ASN 10 CO 0.01 -0.38 -0.11 -0.83 -2.79 0.00 0.00 177.10 173.00 1rda s GLY 11 N -0.68 0.82 0.03 1.21 0.00 -1.26 -0.32 107.32 107.12 1rda s GLY 11 Ca -0.03 -1.12 -0.11 0.00 0.00 0.00 0.00 44.72 43.45 1rda s GLY 11 CO 0.03 -1.19 0.24 -0.56 0.00 0.00 0.00 173.10 171.62 1rda s SER 12 N -2.26 -0.04 -0.21 1.64 0.01 -0.34 -4.81 113.70 107.69 1rda s SER 12 Ca 0.03 -0.25 -0.17 0.00 1.31 0.00 0.00 55.95 56.87 1rda s SER 12 Cb -0.05 0.31 0.06 0.00 0.21 0.00 0.00 66.02 66.55 1rda s SER 12 CO 0.00 -0.55 0.55 0.00 0.41 0.00 0.00 173.24 173.65 1rda h LEU 14 N 5.81 0.00 0.00 0.00 3.38 -0.07 -3.47 115.31 120.96 1rda h LEU 14 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1rda h LEU 14 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1rda h LEU 14 CO 0.18 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.66 1rda n GLY 15 N 1.26 5.13 2.54 0.83 0.00 -1.26 -4.93 105.19 108.76 1rda n GLY 15 Ca -0.02 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 1rda n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rda n ASN 16 N -1.01 -1.79 -4.93 1.61 5.15 -1.26 -3.69 115.26 109.35 1rda n ASN 16 Ca 0.00 -2.70 -0.26 0.00 -0.60 0.00 0.00 54.58 51.02 1rda n ASN 16 Cb 0.00 0.55 0.04 0.00 -0.53 0.00 0.00 39.78 39.84 1rda n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1rda s PRO 17 N 0.30 2.69 0.18 1.20 0.04 -1.26 -5.10 135.00 133.05 1rda s PRO 17 Ca 0.32 -0.16 -0.22 0.00 0.04 0.00 0.00 61.00 60.98 1rda s PRO 17 Cb 0.06 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 32.40 1rda s PRO 17 CO -0.14 -0.83 1.05 0.20 0.04 0.00 0.00 177.00 177.32 1rda s GLY 18 N -4.37 0.13 0.28 0.56 0.00 -0.23 -4.81 107.32 98.89 1rda s GLY 18 Ca 0.56 -0.37 -0.29 0.00 0.00 0.00 0.00 44.72 44.62 1rda s GLY 18 CO 0.44 2.84 1.29 -4.14 0.00 0.00 0.00 173.10 173.52 1rda s PRO 19 N -2.08 4.40 0.35 2.90 0.02 -1.16 0.76 135.00 140.19 1rda s PRO 19 Ca 0.23 2.12 -0.08 0.00 0.02 0.00 0.00 61.00 63.29 1rda s PRO 19 Cb -0.03 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.40 1rda s PRO 19 CO 0.05 -0.16 0.60 0.41 -0.33 0.00 0.00 177.00 177.57 1rda n GLY 20 N 1.36 1.58 3.40 0.52 0.00 -0.51 0.64 105.19 112.18 1rda n GLY 20 Ca 0.02 -1.41 -0.00 0.00 0.00 0.00 0.00 46.02 44.63 1rda n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rda n GLY 21 N -0.51 0.48 3.25 -0.02 0.00 0.14 -1.08 105.19 107.45 1rda n GLY 21 Ca -0.04 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 1rda n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rda s TYR 22 N -2.39 1.25 -0.04 1.61 -0.85 -0.74 -1.20 117.35 114.99 1rda s TYR 22 Ca 0.23 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 55.98 1rda s TYR 22 Cb -0.02 -0.66 0.02 0.00 0.38 0.00 0.00 41.96 41.69 1rda s TYR 22 CO 0.02 0.03 -0.02 0.20 -1.52 0.00 0.00 175.55 174.27 1rda s GLY 23 N -3.17 0.35 -0.09 5.49 0.00 0.57 -3.40 107.32 107.07 1rda s GLY 23 Ca 0.18 0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.89 1rda s GLY 23 CO 0.01 0.61 0.21 0.00 0.00 0.00 0.00 173.10 173.93 1rda s ALA 24 N 1.11 -0.48 -0.09 3.20 0.00 -0.63 -0.69 121.76 124.18 1rda s ALA 24 Ca -0.08 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.71 1rda s ALA 24 Cb -0.14 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1rda s ALA 24 CO -0.01 -0.16 -0.15 0.42 0.00 0.00 0.00 175.76 175.85 1rda s ILE 25 N 0.90 1.43 -0.05 0.00 1.01 -0.84 -0.19 121.20 123.47 1rda s ILE 25 Ca -0.07 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1rda s ILE 25 Cb -0.08 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.12 1rda s ILE 25 CO -0.05 0.42 -0.06 -0.22 0.00 0.00 0.00 174.94 175.03 1rda s LEU 26 N 0.73 1.41 -0.43 2.97 2.96 -1.14 0.52 118.68 125.70 1rda s LEU 26 Ca -0.12 -0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 53.51 1rda s LEU 26 Cb -0.16 -0.51 0.07 0.00 0.50 0.00 0.00 46.19 46.09 1rda s LEU 26 CO 0.03 -0.03 0.29 -0.13 -1.32 0.00 0.00 176.35 175.19 1rda s ARG 27 N 0.83 2.75 -0.02 1.98 0.52 0.54 -1.85 118.95 123.70 1rda s ARG 27 Ca -0.12 -1.37 0.01 0.00 -0.52 0.00 0.00 55.73 53.72 1rda s ARG 27 Cb -0.15 -3.88 0.02 0.00 0.52 0.00 0.00 34.95 31.46 1rda s ARG 27 CO 0.01 -0.94 -0.01 -0.47 0.02 0.00 0.00 175.30 173.91 1rda s TYR 28 N 1.51 0.31 0.00 -0.53 6.04 -1.16 -2.00 117.35 121.52 1rda s TYR 28 Ca 0.03 -0.01 0.00 0.00 0.04 0.00 0.00 57.07 57.13 1rda s TYR 28 Cb -0.23 -0.36 0.00 0.00 -1.04 0.00 0.00 41.96 40.33 1rda s TYR 28 CO 0.04 -0.10 0.00 0.54 -1.54 0.00 0.00 175.55 174.49 1rda n ARG 29 N 3.90 0.00 -0.12 4.97 5.12 -1.26 -2.92 116.66 126.34 1rda n ARG 29 Ca -0.24 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.72 1rda n ARG 29 Cb 0.52 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.87 1rda n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rda n GLY 30 N 0.00 2.31 3.87 -0.13 0.00 -1.26 -4.69 105.19 105.30 1rda n GLY 30 Ca 0.00 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1rda n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rda s ARG 31 N -1.35 2.46 -0.36 1.61 0.52 -1.15 -5.11 118.95 115.58 1rda s ARG 31 Ca 0.12 -1.62 0.01 0.00 -0.52 0.00 0.00 55.73 53.71 1rda s ARG 31 Cb 0.10 -2.32 0.11 0.00 0.52 0.00 0.00 34.95 33.37 1rda s ARG 31 CO 0.01 -0.25 0.14 -2.00 0.02 0.00 0.00 175.30 173.22 1rda s GLU 32 N -4.14 1.02 0.26 3.54 2.12 -1.26 -2.97 118.70 117.26 1rda s GLU 32 Ca 0.46 -1.51 -0.29 0.00 0.36 0.00 0.00 54.97 53.99 1rda s GLU 32 Cb -0.02 -2.27 -0.09 0.00 0.26 0.00 0.00 34.13 32.00 1rda s GLU 32 CO 0.27 -1.04 0.95 0.15 -0.54 0.00 0.00 175.26 175.05 1rda s LYS 33 N 1.07 4.80 -0.10 4.30 1.02 -0.77 -4.96 119.74 125.09 1rda s LYS 33 Ca 0.13 1.48 0.01 0.00 0.02 0.00 0.00 55.97 57.62 1rda s LYS 33 Cb -0.20 -3.20 0.02 0.00 -0.52 0.00 0.00 37.83 33.93 1rda s LYS 33 CO -0.14 0.46 -0.14 0.99 -0.92 0.00 0.00 175.35 175.61 1rda s THR 34 N -1.25 1.38 0.07 2.17 2.01 -1.26 -2.91 115.64 115.85 1rda s THR 34 Ca 0.43 -0.57 0.10 0.00 0.31 0.00 0.00 61.69 61.96 1rda s THR 34 Cb -0.25 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1rda s THR 34 CO 0.31 0.42 -0.25 -0.36 -0.69 0.00 0.00 174.62 174.05 1rda s PHE 35 N 1.06 2.35 -0.28 4.92 0.08 0.74 -5.02 117.98 121.83 1rda s PHE 35 Ca -0.06 -0.38 -0.26 0.00 0.12 0.00 0.00 56.93 56.35 1rda s PHE 35 Cb -0.15 -1.36 0.17 0.00 -0.57 0.00 0.00 43.02 41.11 1rda s PHE 35 CO -0.02 0.20 1.28 0.45 -0.10 0.00 0.00 175.22 177.03 1rda s SER 36 N -1.51 -0.18 -0.06 1.36 0.15 -1.26 -1.60 113.70 110.59 1rda s SER 36 Ca 0.13 0.32 -0.29 0.00 0.70 0.00 0.00 55.95 56.80 1rda s SER 36 Cb -0.10 0.31 0.10 0.00 -1.71 0.00 0.00 66.02 64.62 1rda s SER 36 CO 0.04 -0.09 0.84 0.00 1.20 0.00 0.00 173.24 175.23 1rda s ALA 37 N -0.20 -1.83 0.10 5.45 0.00 -1.22 -5.00 121.76 119.06 1rda s ALA 37 Ca 0.06 1.27 0.09 0.00 0.00 0.00 0.00 51.96 53.38 1rda s ALA 37 Cb -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1rda s ALA 37 CO -0.10 -0.46 -0.22 0.20 0.00 0.00 0.00 175.76 175.18 1rda s GLY 38 N -1.60 1.59 -0.04 0.00 0.00 -1.26 -1.79 107.32 104.22 1rda s GLY 38 Ca -0.03 -1.35 0.05 0.00 0.00 0.00 0.00 44.72 43.40 1rda s GLY 38 CO 0.00 -1.29 -0.20 -0.19 0.00 0.00 0.00 173.10 171.42 1rda s TYR 39 N -1.02 1.95 0.31 1.90 1.51 -0.24 -1.74 117.35 120.03 1rda s TYR 39 Ca 0.15 -0.51 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 1rda s TYR 39 Cb -0.10 -1.29 0.53 0.00 -0.11 0.00 0.00 41.96 40.99 1rda s TYR 39 CO 0.07 -0.14 1.77 1.79 -1.11 0.00 0.00 175.55 177.93 1rda h THR 40 N 5.02 1.25 -2.55 -0.71 1.35 -1.59 -1.36 112.91 114.32 1rda h THR 40 Ca -0.34 -1.19 -0.24 0.00 -0.55 0.00 0.00 66.41 64.09 1rda h THR 40 Cb 1.16 1.38 -0.33 0.00 -1.73 0.00 0.00 68.15 68.64 1rda h THR 40 CO 0.48 0.37 -0.55 -0.60 -0.25 0.00 0.00 175.52 174.97 1rda s ARG 41 N -4.48 0.21 0.00 4.72 3.52 -1.26 -2.98 118.95 118.67 1rda s ARG 41 Ca -0.06 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1rda s ARG 41 Cb 0.14 -0.52 0.00 0.00 -1.56 0.00 0.00 34.95 33.02 1rda s ARG 41 CO 0.77 -0.48 0.00 -2.37 -0.81 0.00 0.00 175.30 172.41 1rda n THR 42 N 5.34 0.00 -4.25 4.11 5.66 0.23 -4.38 114.28 120.99 1rda n THR 42 Ca -0.05 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.81 1rda n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1rda n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1rda s THR 43 N -2.60 0.90 0.15 1.09 -4.23 -1.26 -1.07 115.64 108.62 1rda s THR 43 Ca 0.00 -2.01 -0.17 0.00 -1.18 0.00 0.00 61.69 58.33 1rda s THR 43 Cb 0.00 -1.99 0.02 0.00 1.34 0.00 0.00 72.50 71.87 1rda s THR 43 CO 0.00 -0.61 1.72 -1.13 -0.54 0.00 0.00 174.62 174.06 1rda h ASN 44 N 2.74 -0.06 -0.79 3.99 -1.24 -1.86 -1.50 115.58 116.85 1rda h ASN 44 Ca -0.37 0.06 0.08 0.00 0.71 0.00 0.00 56.30 56.79 1rda h ASN 44 Cb 1.20 0.10 -0.07 0.00 0.73 0.00 0.00 38.32 40.28 1rda h ASN 44 CO 0.64 0.00 0.46 0.78 -1.29 0.00 0.00 177.43 178.02 1rda h ASN 45 N 0.13 0.67 0.70 1.15 -0.26 -1.97 -1.03 115.58 114.96 1rda h ASN 45 Ca 0.15 0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 55.83 1rda h ASN 45 Cb 0.18 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1rda h ASN 45 CO -0.22 0.40 -0.45 0.03 -1.06 0.00 0.00 177.43 176.13 1rda h ARG 46 N 0.79 0.00 0.17 0.81 3.08 -1.80 -2.37 114.38 115.06 1rda h ARG 46 Ca 0.37 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.12 1rda h ARG 46 Cb 0.29 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.36 1rda h ARG 46 CO -0.22 0.45 -1.32 0.52 -1.07 0.00 0.00 179.97 178.33 1rda h MET 47 N 0.00 0.40 0.00 0.04 2.86 -0.43 -1.76 114.93 116.05 1rda h MET 47 Ca -0.00 -0.66 -0.09 0.00 -2.06 0.00 0.00 59.70 56.89 1rda h MET 47 Cb 0.92 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1rda h MET 47 CO 0.06 1.31 -0.41 0.93 1.06 0.00 0.00 176.91 179.86 1rda h GLU 48 N 0.12 0.00 0.09 1.72 5.08 -1.18 -0.51 114.58 119.90 1rda h GLU 48 Ca -0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1rda h GLU 48 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1rda h GLU 48 CO 0.23 0.41 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.54 1rda h LEU 49 N 0.00 -0.11 -1.47 1.33 3.38 -1.44 -3.26 115.31 113.75 1rda h LEU 49 Ca -0.00 -0.47 0.13 0.00 0.09 0.00 0.00 57.88 57.63 1rda h LEU 49 Cb 0.75 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1rda h LEU 49 CO 0.05 0.47 0.51 -0.03 0.09 0.00 0.00 178.44 179.54 1rda h MET 50 N -0.76 0.53 0.37 1.13 4.05 -1.10 -1.80 114.93 117.36 1rda h MET 50 Ca -0.01 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1rda h MET 50 Cb 0.57 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.22 1rda h MET 50 CO 0.02 0.35 -0.48 0.00 0.23 0.00 0.00 176.91 177.03 1rda h ALA 51 N 1.63 -1.01 -0.90 0.39 0.00 -1.13 -2.12 119.26 116.12 1rda h ALA 51 Ca 0.38 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1rda h ALA 51 Cb 0.70 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 1rda h ALA 51 CO -0.14 -1.12 0.58 0.00 0.00 0.00 0.00 179.25 178.58 1rda h ALA 52 N -0.63 1.52 0.68 0.00 0.00 -1.54 -3.18 119.26 116.11 1rda h ALA 52 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1rda h ALA 52 Cb 0.80 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1rda h ALA 52 CO -0.13 0.34 -0.33 0.82 0.00 0.00 0.00 179.25 179.96 1rda h ILE 53 N 1.01 0.00 -0.80 0.00 2.04 -0.88 -2.89 117.51 115.99 1rda h ILE 53 Ca 0.39 -0.24 0.14 0.00 1.00 0.00 0.00 64.86 66.15 1rda h ILE 53 Cb 0.20 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 1rda h ILE 53 CO -0.14 0.00 0.53 0.58 0.00 0.00 0.00 178.15 179.11 1rda h VAL 54 N -1.15 0.82 -0.31 1.67 2.07 -1.44 0.44 116.25 118.36 1rda h VAL 54 Ca -0.09 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1rda h VAL 54 Cb 0.70 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1rda h VAL 54 CO 0.15 0.10 0.03 0.00 0.02 0.00 0.00 177.57 177.86 1rda h ALA 55 N 1.63 0.41 0.15 1.67 0.00 -1.61 -2.98 119.26 118.53 1rda h ALA 55 Ca 0.39 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 54.78 1rda h ALA 55 Cb 0.78 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.49 1rda h ALA 55 CO -0.15 0.13 -1.30 -0.07 0.00 0.00 0.00 179.25 177.87 1rda h LEU 56 N 0.33 0.82 0.00 0.00 3.38 -1.25 -2.95 115.31 115.64 1rda h LEU 56 Ca 0.09 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.27 1rda h LEU 56 Cb 0.39 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1rda h LEU 56 CO 0.01 1.60 0.00 -0.62 0.09 0.00 0.00 178.44 179.52 1rda n GLU 57 N -3.75 0.15 0.09 1.13 1.02 0.12 -1.08 120.64 118.32 1rda n GLU 57 Ca -0.14 0.05 -0.17 0.00 -0.02 0.00 0.00 57.16 56.89 1rda n GLU 57 Cb 1.02 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.79 1rda n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rda h ALA 58 N 2.33 0.16 -2.44 0.62 0.00 -1.36 -3.44 119.26 115.12 1rda h ALA 58 Ca 0.00 -0.98 -0.53 0.00 0.00 0.00 0.00 54.91 53.40 1rda h ALA 58 Cb 0.01 0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.94 1rda h ALA 58 CO 0.00 1.03 0.96 -0.51 0.00 0.00 0.00 179.25 180.73 1rda s LEU 59 N -7.09 4.36 0.00 0.00 1.43 -0.24 -4.87 118.68 112.26 1rda s LEU 59 Ca -0.06 2.42 0.15 0.00 -1.03 0.00 0.00 54.13 55.61 1rda s LEU 59 Cb 0.07 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.63 1rda s LEU 59 CO 0.87 -0.85 0.73 0.29 0.23 0.00 0.00 176.35 177.63 1rda n LYS 60 N 5.45 1.86 -4.33 1.70 4.76 -1.26 -4.98 118.16 121.36 1rda n LYS 60 Ca 0.15 -0.34 -0.17 0.00 -2.87 0.00 0.00 58.31 55.08 1rda n LYS 60 Cb 0.41 -1.24 -0.10 0.00 -1.84 0.00 0.00 35.03 32.26 1rda n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1rda s GLU 61 N -2.20 1.40 -0.14 1.97 1.03 -1.26 -5.10 118.70 114.40 1rda s GLU 61 Ca 0.09 -1.74 -0.29 0.00 0.03 0.00 0.00 54.97 53.05 1rda s GLU 61 Cb 0.12 -0.41 -0.02 0.00 -0.80 0.00 0.00 34.13 33.02 1rda s GLU 61 CO 0.53 -0.23 1.32 -1.01 -1.33 0.00 0.00 175.26 174.55 1rda s HIS 62 N -3.62 2.73 0.37 4.83 3.76 -1.26 -4.98 115.29 117.12 1rda s HIS 62 Ca 0.34 0.89 0.04 0.00 -0.15 0.00 0.00 55.06 56.18 1rda s HIS 62 Cb 0.07 -3.57 -0.05 0.00 1.11 0.00 0.00 32.58 30.15 1rda s HIS 62 CO 0.12 -2.03 0.07 0.00 -0.85 0.00 0.00 174.74 172.05 1rda s GLU 64 N -3.83 3.33 0.14 0.00 8.01 -1.26 -1.34 118.70 123.76 1rda s GLU 64 Ca 0.30 -0.73 0.07 0.00 0.01 0.00 0.00 54.97 54.62 1rda s GLU 64 Cb 0.06 -3.87 -0.04 0.00 -4.31 0.00 0.00 34.13 25.98 1rda s GLU 64 CO 0.14 -0.56 -0.07 0.08 0.01 0.00 0.00 175.26 174.85 1rda s VAL 65 N 1.77 3.43 -0.15 2.63 1.01 0.11 -1.40 120.40 127.81 1rda s VAL 65 Ca 0.07 -1.38 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 1rda s VAL 65 Cb -0.18 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1rda s VAL 65 CO 0.11 0.01 -0.02 -0.51 0.00 0.00 0.00 175.10 174.69 1rda s ILE 66 N -1.45 0.79 -0.14 2.22 2.07 -0.63 -0.43 121.20 123.64 1rda s ILE 66 Ca 0.24 -0.42 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 1rda s ILE 66 Cb -0.10 -1.04 -0.01 0.00 0.13 0.00 0.00 42.46 41.44 1rda s ILE 66 CO 0.15 0.08 -0.16 -0.22 -1.91 0.00 0.00 174.94 172.88 1rda s LEU 67 N 1.77 2.49 -0.18 8.50 0.20 -0.15 -1.89 118.68 129.42 1rda s LEU 67 Ca 0.01 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 54.40 1rda s LEU 67 Cb -0.15 -1.55 0.01 0.00 -0.43 0.00 0.00 46.19 44.07 1rda s LEU 67 CO -0.07 0.13 -0.18 -0.55 -0.29 0.00 0.00 176.35 175.38 1rda s SER 68 N 0.57 3.29 -0.05 3.68 0.15 -0.26 0.19 113.70 121.26 1rda s SER 68 Ca -0.10 -0.61 -0.13 0.00 0.70 0.00 0.00 55.95 55.81 1rda s SER 68 Cb -0.16 -1.51 0.02 0.00 -1.71 0.00 0.00 66.02 62.66 1rda s SER 68 CO 0.04 0.01 0.31 0.28 1.20 0.00 0.00 173.24 175.07 1rda s THR 69 N 1.26 0.04 -2.40 6.45 -1.32 -0.50 -2.29 115.64 116.88 1rda s THR 69 Ca 0.04 -0.34 0.27 0.00 -1.21 0.00 0.00 61.69 60.45 1rda s THR 69 Cb -0.13 -0.56 0.40 0.00 -1.51 0.00 0.00 72.50 70.70 1rda s THR 69 CO -0.10 -0.18 1.60 -0.90 -2.21 0.00 0.00 174.62 172.82 1rda n ASP 70 N 1.79 1.66 -4.65 8.08 5.75 -1.26 -1.72 116.55 126.20 1rda n ASP 70 Ca -0.19 -1.45 -0.42 0.00 -0.01 0.00 0.00 54.79 52.72 1rda n ASP 70 Cb 0.56 0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.68 1rda n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1rda s SER 71 N -2.13 6.67 -0.01 -1.12 0.15 -1.26 -4.67 113.70 111.32 1rda s SER 71 Ca 0.32 2.03 0.09 0.00 0.70 0.00 0.00 55.95 59.09 1rda s SER 71 Cb 0.20 -2.53 -0.23 0.00 -1.71 0.00 0.00 66.02 61.75 1rda s SER 71 CO 0.38 -0.95 0.77 -0.61 1.20 0.00 0.00 173.24 174.03 1rda h GLN 72 N 9.51 0.04 -0.43 5.44 4.15 -1.95 -2.75 115.11 129.12 1rda h GLN 72 Ca -0.36 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 58.95 1rda h GLN 72 Cb 1.16 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.85 1rda h GLN 72 CO 0.96 0.69 0.11 -0.92 -1.93 0.00 0.00 178.83 177.74 1rda h TYR 73 N 0.01 0.64 -0.05 3.99 3.20 -1.97 0.14 116.97 122.93 1rda h TYR 73 Ca -0.24 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.47 1rda h TYR 73 Cb 1.97 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 40.05 1rda h TYR 73 CO 0.01 0.55 -0.43 0.28 -1.64 0.00 0.00 178.16 176.93 1rda h VAL 74 N 0.62 1.43 0.03 1.81 2.07 -1.94 -1.82 116.25 118.44 1rda h VAL 74 Ca 0.14 -1.86 0.02 0.00 0.82 0.00 0.00 66.70 65.82 1rda h VAL 74 Cb 0.23 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1rda h VAL 74 CO -0.00 0.54 -0.18 -0.09 0.02 0.00 0.00 177.57 177.85 1rda h ARG 75 N -0.12 -0.30 -0.10 1.57 2.43 -1.15 -1.16 114.38 115.55 1rda h ARG 75 Ca -0.04 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1rda h ARG 75 Cb 1.10 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 1rda h ARG 75 CO 0.09 -0.20 -0.31 1.96 -1.51 0.00 0.00 179.97 179.99 1rda h GLN 76 N -0.31 -0.39 0.01 0.20 4.20 -0.80 0.36 115.11 118.38 1rda h GLN 76 Ca 0.05 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.82 1rda h GLN 76 Cb 0.37 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 1rda h GLN 76 CO -0.15 -0.26 -0.34 0.78 -0.67 0.00 0.00 178.83 178.19 1rda h GLY 77 N -0.40 -0.58 1.01 3.46 0.00 -1.12 0.63 103.07 106.06 1rda h GLY 77 Ca 0.09 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1rda h GLY 77 CO -0.33 -0.24 0.44 -2.22 0.00 0.00 0.00 176.54 174.19 1rda h ILE 78 N -0.50 1.23 0.00 2.60 1.08 -0.78 -1.40 117.51 119.74 1rda h ILE 78 Ca 0.06 -0.54 -0.09 0.00 -0.39 0.00 0.00 64.86 63.90 1rda h ILE 78 Cb 0.58 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 1rda h ILE 78 CO -0.27 0.25 -1.52 0.35 -0.69 0.00 0.00 178.15 176.27 1rda n THR 79 N -4.45 0.70 -0.01 -0.27 -2.24 0.12 -4.80 114.28 103.33 1rda n THR 79 Ca 0.07 -0.61 -0.03 0.00 -2.27 0.00 0.00 64.05 61.21 1rda n THR 79 Cb 0.08 -0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 67.92 1rda n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rda n GLN 80 N -2.64 0.07 -0.04 -0.78 6.02 0.20 -5.01 117.38 115.21 1rda n GLN 80 Ca -0.07 0.03 -0.01 0.00 -0.01 0.00 0.00 57.00 56.94 1rda n GLN 80 Cb 0.70 -0.62 -0.00 0.00 1.02 0.00 0.00 30.24 31.34 1rda n GLN 80 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1rda h TRP 81 N -0.12 0.00 -0.95 1.08 6.55 -1.31 -3.41 115.95 117.78 1rda h TRP 81 Ca -0.07 0.00 0.26 0.00 0.95 0.00 0.00 58.89 60.03 1rda h TRP 81 Cb 0.92 0.00 -0.17 0.00 -0.86 0.00 0.00 29.16 29.05 1rda h TRP 81 CO -0.02 0.00 0.07 0.97 -1.05 0.00 0.00 178.44 178.41 1rda h ILE 82 N -0.65 0.08 -0.41 1.49 2.10 -1.58 0.21 117.51 118.75 1rda h ILE 82 Ca 0.00 -0.01 0.06 0.00 1.08 0.00 0.00 64.86 65.99 1rda h ILE 82 Cb 0.09 0.04 -0.06 0.00 -1.09 0.00 0.00 36.82 35.80 1rda h ILE 82 CO 0.00 0.01 0.08 -0.74 -1.08 0.00 0.00 178.15 176.42 1rda h HIS 83 N 0.04 0.13 -0.28 2.19 2.76 -1.81 -2.14 115.15 116.04 1rda h HIS 83 Ca 0.59 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.65 1rda h HIS 83 Cb 1.21 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 1rda h HIS 83 CO -0.45 0.01 -0.37 -0.91 -1.30 0.00 0.00 177.93 174.91 1rda h ASN 84 N 0.21 0.66 -0.47 3.26 2.35 -0.86 -3.07 115.58 117.65 1rda h ASN 84 Ca 0.20 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1rda h ASN 84 Cb 0.24 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1rda h ASN 84 CO -0.26 0.97 0.19 -0.50 -1.65 0.00 0.00 177.43 176.18 1rda h TRP 85 N 0.53 0.77 -0.34 1.19 6.55 -0.94 -0.05 115.95 123.65 1rda h TRP 85 Ca 0.05 -0.04 -0.05 0.00 0.95 0.00 0.00 58.89 59.80 1rda h TRP 85 Cb 0.88 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.93 1rda h TRP 85 CO 0.04 0.61 0.02 0.87 -1.05 0.00 0.00 178.44 178.92 1rda h LYS 86 N 0.75 0.59 0.23 0.49 1.57 -1.30 2.39 116.57 121.29 1rda h LYS 86 Ca 0.18 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rda h LYS 86 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1rda h LYS 86 CO -0.01 0.70 -0.20 0.87 -0.57 0.00 0.00 179.45 180.23 1rda h LYS 87 N 0.41 -0.44 0.00 3.15 1.79 -1.49 -2.49 116.57 117.50 1rda h LYS 87 Ca 0.10 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1rda h LYS 87 Cb 0.42 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1rda h LYS 87 CO 0.01 -0.29 0.00 0.54 -1.08 0.00 0.00 179.45 178.63 1rda n ARG 88 N -5.33 0.63 -3.26 3.15 1.74 -0.05 -4.86 116.66 108.68 1rda n ARG 88 Ca -0.08 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.81 1rda n ARG 88 Cb 0.24 -1.24 0.06 0.00 -1.02 0.00 0.00 32.46 30.50 1rda n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rda n GLY 89 N 0.20 -0.22 3.25 -0.13 0.00 -0.38 -3.38 105.19 104.52 1rda n GLY 89 Ca 0.07 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1rda n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rda n TRP 90 N -4.42 -2.40 -4.21 1.61 7.02 0.79 -4.99 117.44 110.84 1rda n TRP 90 Ca -0.01 0.85 -0.17 0.00 -1.02 0.00 0.00 57.50 57.15 1rda n TRP 90 Cb 0.56 -4.40 -0.11 0.00 -2.42 0.00 0.00 31.31 24.93 1rda n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1rda s LYS 91 N -6.05 0.93 0.64 -0.99 1.02 -1.22 -2.76 119.74 111.31 1rda s LYS 91 Ca 0.47 -1.17 -0.05 0.00 0.02 0.00 0.00 55.97 55.24 1rda s LYS 91 Cb -0.21 -0.77 0.04 0.00 -0.52 0.00 0.00 37.83 36.37 1rda s LYS 91 CO 0.61 0.14 0.93 0.95 -0.92 0.00 0.00 175.35 177.07 1rda s THR 92 N -2.11 2.83 0.35 2.17 -4.23 0.19 -4.82 115.64 110.03 1rda s THR 92 Ca 0.06 -0.25 0.12 0.00 -1.18 0.00 0.00 61.69 60.44 1rda s THR 92 Cb -0.05 -3.16 0.34 0.00 1.34 0.00 0.00 72.50 70.97 1rda s THR 92 CO 0.02 -0.16 1.76 0.00 -0.54 0.00 0.00 174.62 175.70 1rda h ALA 93 N -0.33 1.94 -0.44 3.99 0.00 -2.00 0.13 119.26 122.56 1rda h ALA 93 Ca -0.44 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1rda h ALA 93 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1rda h ALA 93 CO 0.59 -0.36 0.01 -0.40 0.00 0.00 0.00 179.25 179.10 1rda n ASP 94 N -4.75 4.55 -3.42 0.00 3.85 -1.26 -4.90 116.55 110.62 1rda n ASP 94 Ca 0.25 -2.71 -0.20 0.00 -0.71 0.00 0.00 54.79 51.42 1rda n ASP 94 Cb 0.75 -0.64 0.08 0.00 -1.35 0.00 0.00 41.12 39.96 1rda n ASP 94 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1rda n LYS 95 N 0.44 -7.13 -4.36 0.11 4.76 0.46 -5.03 118.16 107.41 1rda n LYS 95 Ca 0.21 0.81 -0.25 0.00 -2.87 0.00 0.00 58.31 56.21 1rda n LYS 95 Cb 0.97 -5.75 -0.09 0.00 -1.84 0.00 0.00 35.03 28.32 1rda n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1rda s LYS 96 N -5.85 1.95 0.48 1.97 1.02 -1.24 -4.82 119.74 113.24 1rda s LYS 96 Ca 0.32 -1.50 -0.24 0.00 0.02 0.00 0.00 55.97 54.57 1rda s LYS 96 Cb -0.14 -2.01 -0.07 0.00 -0.52 0.00 0.00 37.83 35.09 1rda s LYS 96 CO 0.70 0.38 1.41 -1.25 -0.92 0.00 0.00 175.35 175.67 1rda s PRO 97 N -3.28 3.54 0.86 -1.68 0.04 -1.26 0.57 135.00 133.79 1rda s PRO 97 Ca 0.28 2.38 -0.11 0.00 0.04 0.00 0.00 61.00 63.59 1rda s PRO 97 Cb -0.07 -2.55 0.11 0.00 0.04 0.00 0.00 34.50 32.02 1rda s PRO 97 CO 0.16 -0.92 1.09 0.14 0.04 0.00 0.00 177.00 177.51 1rda s VAL 98 N -1.22 2.82 0.14 -0.36 -7.23 -1.11 -4.72 120.40 108.72 1rda s VAL 98 Ca 0.64 0.27 -0.31 0.00 -1.81 0.00 0.00 61.98 60.76 1rda s VAL 98 Cb -0.43 -2.85 -0.09 0.00 0.56 0.00 0.00 36.38 33.57 1rda s VAL 98 CO 0.54 -0.35 1.46 -0.75 -0.31 0.00 0.00 175.10 175.70 1rda s LYS 99 N -5.02 4.28 -1.61 4.82 2.20 -1.26 -2.80 119.74 120.34 1rda s LYS 99 Ca 0.62 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 58.44 1rda s LYS 99 Cb -0.17 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1rda s LYS 99 CO 0.56 -0.50 0.00 0.09 -0.36 0.00 0.00 175.35 175.14 1rda n ASN 100 N 3.83 -5.13 -0.23 1.43 3.02 -1.26 -4.87 115.26 112.05 1rda n ASN 100 Ca 0.12 0.12 0.27 0.00 -0.03 0.00 0.00 54.58 55.06 1rda n ASN 100 Cb 0.41 -4.20 0.65 0.00 -0.61 0.00 0.00 39.78 36.03 1rda n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1rda h VAL 101 N 0.00 0.56 -0.45 2.41 3.04 -1.90 0.39 116.25 120.30 1rda h VAL 101 Ca -0.40 -0.05 0.03 0.00 -1.01 0.00 0.00 66.70 65.28 1rda h VAL 101 Cb 1.26 0.41 -0.04 0.00 -2.01 0.00 0.00 31.29 30.91 1rda h VAL 101 CO 0.50 0.03 0.23 -2.24 -1.01 0.00 0.00 177.57 175.08 1rda h ASP 102 N 0.14 0.35 0.64 3.17 2.03 -1.89 -0.89 116.42 119.96 1rda h ASP 102 Ca 0.47 0.02 -0.27 0.00 -0.73 0.00 0.00 57.03 56.52 1rda h ASP 102 Cb 1.64 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 40.09 1rda h ASP 102 CO -0.08 0.25 -1.29 -0.07 -1.03 0.00 0.00 179.24 177.02 1rda h LEU 103 N 0.47 0.35 -0.86 0.15 3.38 -0.70 -2.97 115.31 115.13 1rda h LEU 103 Ca 0.19 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1rda h LEU 103 Cb 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1rda h LEU 103 CO -0.13 1.32 -0.48 -0.50 0.09 0.00 0.00 178.44 178.74 1rda h TRP 104 N 0.06 0.27 -0.29 1.13 4.06 -0.86 0.20 115.95 120.52 1rda h TRP 104 Ca -0.14 -0.08 -0.16 0.00 2.06 0.00 0.00 58.89 60.56 1rda h TRP 104 Cb 1.96 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 30.05 1rda h TRP 104 CO 0.05 0.66 -0.46 1.96 -3.56 0.00 0.00 178.44 177.10 1rda h GLN 105 N 0.18 0.76 -0.23 0.49 4.20 -1.27 -1.21 115.11 118.03 1rda h GLN 105 Ca 0.01 -0.43 -0.07 0.00 0.06 0.00 0.00 58.65 58.23 1rda h GLN 105 Cb 0.91 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1rda h GLN 105 CO 0.07 1.05 -0.11 -0.09 -0.67 0.00 0.00 178.83 179.08 1rda h ARG 106 N 0.60 0.49 -0.22 1.46 2.43 -1.33 -1.75 114.38 116.07 1rda h ARG 106 Ca 0.04 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 1rda h ARG 106 Cb 1.02 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1rda h ARG 106 CO 0.10 0.76 -0.27 1.25 -1.51 0.00 0.00 179.97 180.30 1rda h LEU 107 N 0.20 0.42 -0.50 3.80 5.85 -0.97 -3.13 115.31 120.98 1rda h LEU 107 Ca 0.05 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1rda h LEU 107 Cb 0.61 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1rda h LEU 107 CO 0.03 0.68 0.29 -0.78 -0.34 0.00 0.00 178.44 178.32 1rda h ASP 108 N 0.37 0.62 -0.99 1.25 1.82 -0.90 -0.81 116.42 117.78 1rda h ASP 108 Ca 0.05 -0.08 0.08 0.00 -0.39 0.00 0.00 57.03 56.69 1rda h ASP 108 Cb 0.67 -0.16 -0.07 0.00 0.68 0.00 0.00 39.33 40.45 1rda h ASP 108 CO 0.05 0.52 0.64 0.00 -1.61 0.00 0.00 179.24 178.84 1rda h ALA 109 N 1.13 1.41 -0.07 -0.78 0.00 -1.31 -2.80 119.26 116.84 1rda h ALA 109 Ca 0.18 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1rda h ALA 109 Cb 0.03 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1rda h ALA 109 CO -0.03 0.37 -0.54 0.00 0.00 0.00 0.00 179.25 179.05 1rda h ALA 110 N 1.47 0.16 -0.44 0.00 0.00 -1.40 -3.28 119.26 115.77 1rda h ALA 110 Ca 0.45 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1rda h ALA 110 Cb 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1rda h ALA 110 CO -0.20 0.38 0.20 -0.07 0.00 0.00 0.00 179.25 179.55 1rda h LEU 111 N 0.05 0.55 -0.95 0.00 3.38 -1.05 -2.85 115.31 114.44 1rda h LEU 111 Ca -0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1rda h LEU 111 Cb 1.21 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1rda h LEU 111 CO 0.11 0.49 0.00 1.23 0.09 0.00 0.00 178.44 180.36 1rda h GLY 112 N 0.74 0.00 -1.19 0.83 0.00 -1.55 -2.79 103.07 99.11 1rda h GLY 112 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1rda h GLY 112 CO -0.02 0.00 -0.16 -1.06 0.00 0.00 0.00 176.54 175.30 1rda n GLN 113 N -2.36 1.75 -4.27 4.80 1.13 -1.08 -5.00 117.38 112.35 1rda n GLN 113 Ca 0.01 -1.35 -0.16 0.00 -1.94 0.00 0.00 57.00 53.55 1rda n GLN 113 Cb 0.21 -1.47 -0.09 0.00 0.11 0.00 0.00 30.24 28.99 1rda n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1rda s HIS 114 N -2.18 1.48 -0.48 1.08 3.76 -1.06 -4.37 115.29 113.52 1rda s HIS 114 Ca 0.27 -1.43 -0.11 0.00 -0.15 0.00 0.00 55.06 53.64 1rda s HIS 114 Cb 0.20 -0.72 0.11 0.00 1.11 0.00 0.00 32.58 33.28 1rda s HIS 114 CO 0.40 -0.63 0.37 -0.65 -0.85 0.00 0.00 174.74 173.38 1rda s GLN 115 N -3.86 2.62 -0.25 1.40 -0.21 -0.45 -4.98 119.66 113.93 1rda s GLN 115 Ca 0.38 -1.70 -0.09 0.00 0.02 0.00 0.00 55.36 53.98 1rda s GLN 115 Cb 0.05 -4.00 -0.04 0.00 1.00 0.00 0.00 33.01 30.03 1rda s GLN 115 CO 0.18 -1.19 0.11 0.42 -2.12 0.00 0.00 175.29 172.69 1rda s ILE 116 N 1.43 4.71 -0.24 1.08 1.01 -1.26 0.06 121.20 128.00 1rda s ILE 116 Ca 0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.58 1rda s ILE 116 Cb -0.27 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1rda s ILE 116 CO 0.01 0.33 0.10 -0.75 0.00 0.00 0.00 174.94 174.62 1rda s LYS 117 N 1.48 3.80 -0.09 2.79 2.20 0.43 -4.99 119.74 125.36 1rda s LYS 117 Ca 0.06 -0.41 -0.15 0.00 -0.36 0.00 0.00 55.97 55.11 1rda s LYS 117 Cb -0.15 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 1rda s LYS 117 CO 0.06 -0.08 0.39 -1.58 -0.36 0.00 0.00 175.35 173.78 1rda s TRP 118 N 1.37 3.58 -0.21 4.03 0.52 -1.26 -0.98 118.94 125.99 1rda s TRP 118 Ca 0.06 0.84 0.01 0.00 0.02 0.00 0.00 56.10 57.03 1rda s TRP 118 Cb -0.15 -2.38 0.04 0.00 -1.15 0.00 0.00 33.47 29.83 1rda s TRP 118 CO 0.05 0.38 -0.13 -2.00 0.02 0.00 0.00 176.95 175.27 1rda s GLU 119 N -0.09 2.33 -0.61 4.98 2.12 0.50 -4.92 118.70 123.02 1rda s GLU 119 Ca 0.22 -0.98 -0.20 0.00 0.36 0.00 0.00 54.97 54.38 1rda s GLU 119 Cb -0.15 -2.58 0.10 0.00 0.26 0.00 0.00 34.13 31.75 1rda s GLU 119 CO 0.10 -0.41 0.76 -1.58 -0.54 0.00 0.00 175.26 173.58 1rda s TRP 120 N 1.29 2.93 0.25 5.30 0.23 -1.26 -1.41 118.94 126.27 1rda s TRP 120 Ca -0.02 -0.88 -0.06 0.00 -2.03 0.00 0.00 56.10 53.10 1rda s TRP 120 Cb -0.16 -4.07 -0.06 0.00 0.03 0.00 0.00 33.47 29.20 1rda s TRP 120 CO -0.08 -1.37 0.53 0.14 0.96 0.00 0.00 176.95 177.12 1rda s VAL 121 N 2.97 5.01 -0.11 4.03 -7.23 -0.70 -4.99 120.40 119.38 1rda s VAL 121 Ca 0.14 0.20 -0.21 0.00 -1.81 0.00 0.00 61.98 60.29 1rda s VAL 121 Cb -0.23 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 1rda s VAL 121 CO 0.07 -0.18 0.61 -0.54 -0.31 0.00 0.00 175.10 174.75 1rda s LYS 122 N -3.16 4.35 0.48 4.82 -0.14 -1.26 -4.00 119.74 120.83 1rda s LYS 122 Ca 0.45 0.68 0.38 0.00 -1.36 0.00 0.00 55.97 56.11 1rda s LYS 122 Cb -0.11 -3.47 1.31 0.00 -1.68 0.00 0.00 37.83 33.88 1rda s LYS 122 CO 0.26 0.03 1.27 0.41 -0.76 0.00 0.00 175.35 176.55 1rda n GLY 123 N 3.31 -0.79 1.00 -3.33 0.00 -1.26 0.11 105.19 104.23 1rda n GLY 123 Ca -0.03 0.53 0.12 0.00 0.00 0.00 0.00 46.02 46.63 1rda n GLY 123 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1rda n HIS 124 N -3.47 0.30 -2.74 1.61 1.44 -1.26 -4.35 115.22 106.75 1rda n HIS 124 Ca 0.34 -0.15 -0.05 0.00 -2.01 0.00 0.00 57.72 55.85 1rda n HIS 124 Cb 1.62 0.00 0.05 0.00 0.12 0.00 0.00 29.99 31.78 1rda n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rda n ALA 125 N 1.26 2.86 -1.94 1.59 0.00 0.31 -5.11 120.51 119.47 1rda n ALA 125 Ca 0.17 -2.66 -0.27 0.00 0.00 0.00 0.00 53.44 50.68 1rda n ALA 125 Cb 0.56 -0.91 0.14 0.00 0.00 0.00 0.00 19.45 19.24 1rda n ALA 125 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rda s GLY 126 N -3.10 1.74 0.22 0.00 0.00 -1.14 -4.43 107.32 100.62 1rda s GLY 126 Ca 0.25 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.77 1rda s GLY 126 CO -0.02 -0.59 0.39 0.30 0.00 0.00 0.00 173.10 173.18 1rda s HIS 127 N -3.56 3.48 0.59 1.90 3.76 -1.26 -4.93 115.29 115.27 1rda s HIS 127 Ca 0.68 0.21 0.31 0.00 -0.15 0.00 0.00 55.06 56.11 1rda s HIS 127 Cb -0.06 -1.75 1.22 0.00 1.11 0.00 0.00 32.58 33.09 1rda s HIS 127 CO 0.49 0.38 1.54 -1.35 -0.85 0.00 0.00 174.74 174.95 1rda h PRO 128 N 1.63 0.00 0.00 8.40 0.11 -2.00 0.62 132.00 140.77 1rda h PRO 128 Ca -0.49 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.41 1rda h PRO 128 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1rda h PRO 128 CO 0.65 0.00 -0.97 0.93 -0.21 0.00 0.00 178.00 178.41 1rda h GLU 129 N 0.00 0.00 -0.10 1.05 3.07 -1.99 -2.19 114.58 114.42 1rda h GLU 129 Ca 0.47 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.30 1rda h GLU 129 Cb 2.48 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.39 1rda h GLU 129 CO -0.00 0.97 -0.06 -0.91 -1.40 0.00 0.00 179.01 177.61 1rda h ASN 130 N 0.00 0.22 -0.31 1.42 4.21 -0.14 -1.14 115.58 119.83 1rda h ASN 130 Ca -0.01 -0.43 0.02 0.00 1.21 0.00 0.00 56.30 57.09 1rda h ASN 130 Cb 1.72 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 38.83 1rda h ASN 130 CO 0.13 0.60 0.17 -0.33 -1.29 0.00 0.00 177.43 176.70 1rda h GLU 131 N -0.16 0.33 -0.70 0.81 5.08 -1.48 -1.47 114.58 116.99 1rda h GLU 131 Ca 0.02 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1rda h GLU 131 Cb 0.52 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1rda h GLU 131 CO 0.02 0.22 0.46 -0.09 -1.00 0.00 0.00 179.01 178.62 1rda h ARG 132 N 0.34 0.86 -0.82 2.33 2.43 -1.33 -2.02 114.38 116.18 1rda h ARG 132 Ca 0.12 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1rda h ARG 132 Cb 0.02 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 1rda h ARG 132 CO -0.07 0.57 0.54 0.00 -1.51 0.00 0.00 179.97 179.49 1rda h ASP 134 N 1.11 1.05 -0.25 0.00 3.58 -0.95 0.40 116.42 121.37 1rda h ASP 134 Ca 0.30 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1rda h ASP 134 Cb -0.12 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.65 1rda h ASP 134 CO -0.06 0.97 0.03 -0.08 -2.88 0.00 0.00 179.24 177.21 1rda h GLU 135 N 1.08 0.42 -0.54 0.28 4.81 -1.12 0.66 114.58 120.18 1rda h GLU 135 Ca 0.24 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1rda h GLU 135 Cb 0.28 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1rda h GLU 135 CO -0.01 0.57 0.03 -0.07 -0.73 0.00 0.00 179.01 178.80 1rda h LEU 136 N 0.22 0.91 0.36 1.64 3.38 -0.31 -2.62 115.31 118.88 1rda h LEU 136 Ca 0.07 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1rda h LEU 136 Cb 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1rda h LEU 136 CO 0.01 0.97 -0.44 0.00 0.09 0.00 0.00 178.44 179.07 1rda h ALA 137 N 0.97 -0.92 -0.94 1.53 0.00 0.08 -2.27 119.26 117.70 1rda h ALA 137 Ca 0.16 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1rda h ALA 137 Cb 0.49 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1rda h ALA 137 CO 0.02 -1.07 0.62 0.00 0.00 0.00 0.00 179.25 178.82 1rda h ARG 138 N -0.83 1.20 -0.37 0.00 3.08 -0.92 -2.46 114.38 114.07 1rda h ARG 138 Ca -0.03 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 59.98 1rda h ARG 138 Cb 0.76 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1rda h ARG 138 CO -0.11 0.79 0.17 0.00 -1.07 0.00 0.00 179.97 179.75 1rda h ALA 139 N 1.43 0.45 -0.35 0.04 0.00 -1.25 -2.83 119.26 116.76 1rda h ALA 139 Ca 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1rda h ALA 139 Cb -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1rda h ALA 139 CO -0.09 -0.20 0.15 0.00 0.00 0.00 0.00 179.25 179.12 1rda h ALA 140 N 1.20 0.45 -0.21 0.00 0.00 -1.13 -2.51 119.26 117.06 1rda h ALA 140 Ca 0.16 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1rda h ALA 140 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1rda h ALA 140 CO -0.12 0.03 0.16 0.00 0.00 0.00 0.00 179.25 179.32 1rda h ALA 141 N 1.00 2.13 0.00 0.00 0.00 -1.27 -1.09 119.26 120.03 1rda h ALA 141 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1rda h ALA 141 Cb 0.15 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rda h ALA 141 CO -0.01 -0.27 -0.06 0.52 0.00 0.00 0.00 179.25 179.43 1rda h MET 142 N 0.00 0.00 -1.15 0.00 2.86 -1.22 -3.38 114.93 112.05 1rda h MET 142 Ca 0.10 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.34 1rda h MET 142 Cb 0.42 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 31.79 1rda h MET 142 CO -0.00 0.06 -0.86 -1.71 1.06 0.00 0.00 176.91 175.46 1rda n ASN 143 N -3.13 -0.94 -4.73 1.22 4.05 -0.45 -5.10 115.26 106.17 1rda n ASN 143 Ca 0.02 -3.07 -0.41 0.00 0.45 0.00 0.00 54.58 51.57 1rda n ASN 143 Cb 0.46 0.44 -0.04 0.00 1.23 0.00 0.00 39.78 41.87 1rda n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1rda s PRO 144 N -0.68 4.58 0.00 1.20 0.04 -0.97 -4.60 135.00 134.57 1rda s PRO 144 Ca 0.33 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1rda s PRO 144 Cb 0.24 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1rda s PRO 144 CO -0.14 0.04 0.00 0.25 0.04 0.00 0.00 177.00 177.20 1rda n THR 145 N 2.57 0.00 -4.01 1.26 -2.24 -1.04 -4.76 114.28 106.06 1rda n THR 145 Ca 0.03 -0.14 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 1rda n THR 145 Cb 0.46 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 1rda n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rda s LEU 146 N -1.93 3.78 -0.14 3.22 1.43 -0.71 -4.97 118.68 119.35 1rda s LEU 146 Ca 0.00 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1rda s LEU 146 Cb 0.00 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1rda s LEU 146 CO 0.00 -0.13 0.01 -0.70 0.23 0.00 0.00 176.35 175.75 1rda s GLU 147 N -3.90 3.58 -0.82 1.70 2.12 -1.26 -1.62 118.70 118.51 1rda s GLU 147 Ca 0.35 -0.43 -0.18 0.00 0.36 0.00 0.00 54.97 55.08 1rda s GLU 147 Cb -0.07 -2.98 0.14 0.00 0.26 0.00 0.00 34.13 31.48 1rda s GLU 147 CO 0.26 0.38 0.95 0.34 -0.54 0.00 0.00 175.26 176.65 1rda s ASP 148 N 0.01 6.53 0.00 -1.70 3.68 -1.26 -4.93 116.67 119.00 1rda s ASP 148 Ca 0.03 -1.98 0.00 0.00 2.13 0.00 0.00 52.55 52.73 1rda s ASP 148 Cb -0.13 -2.34 0.00 0.00 -1.45 0.00 0.00 42.92 39.00 1rda s ASP 148 CO 0.02 -0.99 0.96 0.41 0.13 0.00 0.00 175.17 175.69 1rda n THR 149 N 5.19 0.00 0.00 1.71 -1.04 -1.26 -2.85 114.28 116.03 1rda n THR 149 Ca 0.13 1.46 0.00 0.00 -2.04 0.00 0.00 64.05 63.59 1rda n THR 149 Cb 0.47 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 1rda n THR 149 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rda n GLY 150 N -0.98 0.00 3.71 3.41 0.00 -1.26 -4.67 105.19 105.41 1rda n GLY 150 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1rda n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rda s TYR 151 N -1.29 3.66 -0.07 1.61 6.14 -1.13 -4.94 117.35 121.33 1rda s TYR 151 Ca 0.00 1.60 0.01 0.00 0.64 0.00 0.00 57.07 59.33 1rda s TYR 151 Cb 0.00 -3.03 0.02 0.00 0.42 0.00 0.00 41.96 39.36 1rda s TYR 151 CO 0.00 0.04 -0.09 -0.65 0.64 0.00 0.00 175.55 175.49 1rda s GLN 152 N 0.83 1.42 0.33 4.97 -0.21 -1.26 -4.97 119.66 120.76 1rda s GLN 152 Ca 0.48 -0.29 0.06 0.00 0.02 0.00 0.00 55.36 55.62 1rda s GLN 152 Cb -0.20 -1.27 0.60 0.00 1.00 0.00 0.00 33.01 33.13 1rda s GLN 152 CO 0.26 -0.06 1.84 0.28 -2.12 0.00 0.00 175.29 175.49 1rda h VAL 153 N 6.06 1.22 0.00 1.09 2.07 -2.00 -3.42 116.25 121.26 1rda h VAL 153 Ca -0.32 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1rda h VAL 153 Cb 1.17 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1rda h VAL 153 CO 0.46 0.31 0.00 -0.62 0.02 0.00 0.00 177.57 177.74 1rda n GLU 154 N -4.22 0.00 0.00 1.57 4.71 -1.26 -5.20 120.64 116.24 1rda n GLU 154 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1rda n GLU 154 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.74 1rda n GLU 154 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50