#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cp3 s SER 2 N 0.00 5.48 -0.14 1.61 0.01 -1.26 -4.76 113.70 114.65 2cp3 s SER 2 Ca 0.00 -1.25 0.10 0.00 1.31 0.00 0.00 55.95 56.11 2cp3 s SER 2 Cb 0.00 -1.93 -0.16 0.00 0.21 0.00 0.00 66.02 64.14 2cp3 s SER 2 CO 0.00 -0.40 0.02 -1.20 0.41 0.00 0.00 173.24 172.06 2cp3 n SER 3 N 4.87 1.84 -2.66 2.44 7.64 -1.26 -4.90 113.62 121.59 2cp3 n SER 3 Ca -0.11 -0.01 -0.03 0.00 1.01 0.00 0.00 58.87 59.72 2cp3 n SER 3 Cb 0.44 0.68 0.01 0.00 -1.01 0.00 0.00 64.21 64.33 2cp3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cp3 n GLY 4 N 2.25 -0.90 3.12 0.23 0.00 -1.26 -5.11 105.19 103.51 2cp3 n GLY 4 Ca -0.23 0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.96 2cp3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cp3 s SER 5 N -0.17 -1.33 -0.04 1.61 0.01 -1.26 -4.39 113.70 108.12 2cp3 s SER 5 Ca 0.06 0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.36 2cp3 s SER 5 Cb 0.10 1.89 0.07 0.00 0.21 0.00 0.00 66.02 68.29 2cp3 s SER 5 CO -0.05 -0.30 1.08 -1.20 0.41 0.00 0.00 173.24 173.18 2cp3 n SER 6 N 5.31 -0.98 0.00 2.44 7.64 -1.26 -4.24 113.62 122.54 2cp3 n SER 6 Ca 0.05 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.90 2cp3 n SER 6 Cb 0.54 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 2cp3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cp3 n GLY 7 N -0.18 0.00 3.75 0.23 0.00 -1.26 -5.16 105.19 102.57 2cp3 n GLY 7 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2cp3 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cp3 s LEU 8 N 0.00 3.48 0.00 0.99 1.43 -1.26 -5.05 118.68 118.28 2cp3 s LEU 8 Ca 0.00 2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 55.31 2cp3 s LEU 8 Cb 0.00 -4.58 0.05 0.00 0.03 0.00 0.00 46.19 41.70 2cp3 s LEU 8 CO 0.00 -1.75 0.37 0.54 0.23 0.00 0.00 176.35 175.74 2cp3 n ARG 9 N -2.16 0.24 -3.57 1.70 5.12 -1.26 -4.93 116.66 111.80 2cp3 n ARG 9 Ca 0.12 -0.91 -0.39 0.00 -1.93 0.00 0.00 57.85 54.74 2cp3 n ARG 9 Cb 0.51 -0.27 -0.06 0.00 -1.16 0.00 0.00 32.46 31.48 2cp3 n ARG 9 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2cp3 s LEU 10 N 0.00 5.77 0.00 0.55 1.43 -1.26 -4.56 118.68 120.61 2cp3 s LEU 10 Ca 0.24 -3.26 0.00 0.00 -1.03 0.00 0.00 54.13 50.08 2cp3 s LEU 10 Cb -0.01 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2cp3 s LEU 10 CO 0.16 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.03 2cp3 n GLY 11 N 3.02 0.10 3.01 -3.19 0.00 -1.11 -5.01 105.19 102.02 2cp3 n GLY 11 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 2cp3 n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cp3 s ASP 12 N -0.10 0.97 -0.29 1.61 1.01 -1.26 -4.94 116.67 113.67 2cp3 s ASP 12 Ca 0.00 -0.15 -0.29 0.00 0.71 0.00 0.00 52.55 52.82 2cp3 s ASP 12 Cb 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.82 2cp3 s ASP 12 CO 0.00 0.10 1.28 -0.13 0.21 0.00 0.00 175.17 176.63 2cp3 s ARG 13 N -0.19 3.95 0.54 8.23 0.52 -1.26 -0.83 118.95 129.90 2cp3 s ARG 13 Ca 0.03 1.26 0.03 0.00 -0.52 0.00 0.00 55.73 56.53 2cp3 s ARG 13 Cb -0.03 -3.86 0.02 0.00 0.52 0.00 0.00 34.95 31.60 2cp3 s ARG 13 CO -0.00 -1.07 0.21 0.14 0.02 0.00 0.00 175.30 174.60 2cp3 s VAL 14 N 4.25 1.32 -0.14 3.52 -7.23 0.79 -3.43 120.40 119.48 2cp3 s VAL 14 Ca 0.55 -1.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 2cp3 s VAL 14 Cb -0.17 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.73 2cp3 s VAL 14 CO 0.22 0.00 -0.22 -0.22 -0.31 0.00 0.00 175.10 174.57 2cp3 s LEU 15 N -4.11 2.11 -0.10 1.32 2.96 -0.19 -1.91 118.68 118.76 2cp3 s LEU 15 Ca 0.18 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2cp3 s LEU 15 Cb -0.01 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 2cp3 s LEU 15 CO 0.11 0.07 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.42 2cp3 s VAL 16 N 0.85 3.30 -1.74 1.68 1.01 0.23 -2.74 120.40 122.99 2cp3 s VAL 16 Ca -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2cp3 s VAL 16 Cb -0.15 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2cp3 s VAL 16 CO -0.03 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2cp3 n GLY 17 N 2.90 1.28 3.70 4.51 0.00 -1.26 -0.54 105.19 115.78 2cp3 n GLY 17 Ca -0.18 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 2cp3 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cp3 n GLY 18 N -0.91 -0.53 0.34 -0.02 0.00 -1.26 -4.56 105.19 98.25 2cp3 n GLY 18 Ca -0.18 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2cp3 n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cp3 n THR 19 N -4.89 0.00 -1.59 2.61 -2.24 -1.05 -5.10 114.28 102.02 2cp3 n THR 19 Ca 0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 2cp3 n THR 19 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 2cp3 n THR 19 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2cp3 n LYS 20 N -2.92 1.82 -3.15 -0.78 5.02 0.30 -4.77 118.16 113.68 2cp3 n LYS 20 Ca 0.00 0.46 -0.40 0.00 -2.02 0.00 0.00 58.31 56.34 2cp3 n LYS 20 Cb 0.00 -3.26 -0.06 0.00 -0.02 0.00 0.00 35.03 31.69 2cp3 n LYS 20 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2cp3 s THR 21 N 8.86 5.03 0.05 -0.18 -4.23 -1.26 0.74 115.64 124.64 2cp3 s THR 21 Ca 1.01 1.10 -0.12 0.00 -1.18 0.00 0.00 61.69 62.50 2cp3 s THR 21 Cb -0.32 -3.91 0.01 0.00 1.34 0.00 0.00 72.50 69.62 2cp3 s THR 21 CO 0.34 0.10 0.26 -0.83 -0.54 0.00 0.00 174.62 173.95 2cp3 s GLY 22 N 1.30 -0.06 0.03 3.99 0.00 -0.80 -4.34 107.32 107.44 2cp3 s GLY 22 Ca 0.26 -0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.66 2cp3 s GLY 22 CO 0.10 -0.34 0.54 0.14 0.00 0.00 0.00 173.10 173.54 2cp3 s VAL 23 N -2.68 4.85 0.06 1.40 1.01 -0.90 -0.15 120.40 123.99 2cp3 s VAL 23 Ca -0.04 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.78 2cp3 s VAL 23 Cb -0.00 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 2cp3 s VAL 23 CO -0.04 0.51 1.61 -0.69 0.00 0.00 0.00 175.10 176.49 2cp3 s VAL 24 N -0.79 3.14 -0.10 2.92 1.01 -0.01 -1.47 120.40 125.10 2cp3 s VAL 24 Ca 0.28 0.59 0.09 0.00 0.00 0.00 0.00 61.98 62.94 2cp3 s VAL 24 Cb -0.18 -3.38 -0.13 0.00 0.00 0.00 0.00 36.38 32.69 2cp3 s VAL 24 CO 0.17 -0.00 0.03 0.54 0.00 0.00 0.00 175.10 175.84 2cp3 n ARG 25 N 5.53 2.26 -4.27 2.72 5.12 0.19 -2.75 116.66 125.45 2cp3 n ARG 25 Ca 0.15 -0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.88 2cp3 n ARG 25 Cb 0.41 -1.27 -0.13 0.00 -1.16 0.00 0.00 32.46 30.31 2cp3 n ARG 25 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2cp3 s TYR 26 N -2.25 1.10 -0.29 -1.55 6.14 -1.17 -4.91 117.35 114.42 2cp3 s TYR 26 Ca -0.05 -0.37 0.00 0.00 0.64 0.00 0.00 57.07 57.29 2cp3 s TYR 26 Cb 0.03 -0.65 0.15 0.00 0.42 0.00 0.00 41.96 41.91 2cp3 s TYR 26 CO 0.43 0.02 0.35 0.08 0.64 0.00 0.00 175.55 177.07 2cp3 s VAL 27 N -0.94 -0.51 -4.26 3.14 1.01 -1.26 -1.80 120.40 115.78 2cp3 s VAL 27 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2cp3 s VAL 27 Cb -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2cp3 s VAL 27 CO 0.01 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.36 2cp3 n GLY 28 N 5.33 -0.64 3.86 4.51 0.00 -1.03 -5.06 105.19 112.16 2cp3 n GLY 28 Ca -0.01 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 2cp3 n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cp3 n GLU 29 N 0.00 -1.67 -3.73 1.61 1.02 -1.26 -1.33 120.64 115.28 2cp3 n GLU 29 Ca 0.00 -2.04 -0.16 0.00 -0.02 0.00 0.00 57.16 54.94 2cp3 n GLU 29 Cb 0.00 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 29.92 2cp3 n GLU 29 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2cp3 n THR 30 N -4.06 0.00 -1.61 2.62 -2.24 -1.26 -4.77 114.28 102.95 2cp3 n THR 30 Ca 0.17 -1.83 0.01 0.00 -2.27 0.00 0.00 64.05 60.13 2cp3 n THR 30 Cb 0.59 0.83 0.19 0.00 -2.10 0.00 0.00 70.33 69.84 2cp3 n THR 30 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2cp3 n ASP 31 N -1.90 2.14 0.00 3.42 2.03 -1.26 -4.70 116.55 116.28 2cp3 n ASP 31 Ca 0.03 -3.88 0.00 0.00 0.52 0.00 0.00 54.79 51.46 2cp3 n ASP 31 Cb 0.46 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 2cp3 n ASP 31 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2cp3 n PHE 32 N -1.09 -0.06 -4.23 -0.67 -1.74 -1.26 -5.06 117.46 103.35 2cp3 n PHE 32 Ca 0.24 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.86 2cp3 n PHE 32 Cb 0.77 0.34 -0.08 0.00 1.52 0.00 0.00 39.48 42.03 2cp3 n PHE 32 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2cp3 s ALA 33 N -1.68 3.11 -0.20 1.98 0.00 -1.26 -5.11 121.76 118.60 2cp3 s ALA 33 Ca 0.00 -1.37 -0.19 0.00 0.00 0.00 0.00 51.96 50.40 2cp3 s ALA 33 Cb 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 2cp3 s ALA 33 CO 0.00 0.50 0.55 0.15 0.00 0.00 0.00 175.76 176.96 2cp3 s LYS 34 N -2.81 4.19 0.00 0.00 1.02 -1.26 -4.45 119.74 116.42 2cp3 s LYS 34 Ca 0.26 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.71 2cp3 s LYS 34 Cb -0.09 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 2cp3 s LYS 34 CO 0.17 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 2cp3 n GLY 35 N 3.90 0.33 2.87 -3.33 0.00 -1.26 -5.06 105.19 102.64 2cp3 n GLY 35 Ca -0.04 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.37 2cp3 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cp3 s GLU 36 N -1.17 0.50 0.27 1.61 2.02 -1.26 -4.47 118.70 116.19 2cp3 s GLU 36 Ca 0.00 -0.03 0.06 0.00 0.02 0.00 0.00 54.97 55.02 2cp3 s GLU 36 Cb 0.00 -0.58 -0.06 0.00 0.10 0.00 0.00 34.13 33.60 2cp3 s GLU 36 CO 0.00 -0.07 -0.06 -1.58 0.02 0.00 0.00 175.26 173.57 2cp3 s TRP 37 N 0.76 1.89 -0.03 1.61 0.52 -0.44 -2.76 118.94 120.49 2cp3 s TRP 37 Ca -0.09 -0.71 -0.01 0.00 0.02 0.00 0.00 56.10 55.32 2cp3 s TRP 37 Cb -0.12 -1.06 0.03 0.00 -1.15 0.00 0.00 33.47 31.18 2cp3 s TRP 37 CO -0.01 0.26 0.04 0.00 0.02 0.00 0.00 176.95 177.26 2cp3 s GLY 39 N 1.58 2.90 -0.10 0.00 0.00 -0.74 -2.05 107.32 108.90 2cp3 s GLY 39 Ca -0.02 0.42 0.01 0.00 0.00 0.00 0.00 44.72 45.13 2cp3 s GLY 39 CO -0.03 1.26 -0.11 0.14 0.00 0.00 0.00 173.10 174.36 2cp3 s VAL 40 N -0.06 1.19 -0.15 1.40 1.01 0.19 0.53 120.40 124.52 2cp3 s VAL 40 Ca 0.42 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 2cp3 s VAL 40 Cb -0.22 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2cp3 s VAL 40 CO 0.26 0.39 0.46 -0.70 0.00 0.00 0.00 175.10 175.51 2cp3 s GLU 41 N 1.31 4.29 0.45 2.72 -6.30 -0.54 -0.74 118.70 119.89 2cp3 s GLU 41 Ca -0.02 0.39 0.01 0.00 -2.50 0.00 0.00 54.97 52.85 2cp3 s GLU 41 Cb -0.14 -3.47 0.00 0.00 0.00 0.00 0.00 34.13 30.52 2cp3 s GLU 41 CO -0.05 0.08 0.67 -0.51 0.02 0.00 0.00 175.26 175.47 2cp3 s LEU 42 N 0.89 3.63 -0.01 2.70 1.43 -1.02 -2.12 118.68 124.18 2cp3 s LEU 42 Ca 0.24 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 2cp3 s LEU 42 Cb -0.15 -3.10 -0.32 0.00 0.03 0.00 0.00 46.19 42.66 2cp3 s LEU 42 CO 0.09 -0.73 0.82 0.44 0.23 0.00 0.00 176.35 177.20 2cp3 h ASP 43 N 0.40 0.66 -3.16 2.29 5.19 -1.93 -3.47 116.42 116.40 2cp3 h ASP 43 Ca -0.46 -0.86 -0.63 0.00 -0.62 0.00 0.00 57.03 54.47 2cp3 h ASP 43 Cb 1.26 -0.21 -0.12 0.00 0.18 0.00 0.00 39.33 40.43 2cp3 h ASP 43 CO 0.56 1.70 -0.68 -1.61 -3.12 0.00 0.00 179.24 176.10 2cp3 s GLU 44 N -2.59 2.39 -0.83 3.56 2.02 -1.26 -5.01 118.70 116.97 2cp3 s GLU 44 Ca -0.12 -1.01 -0.21 0.00 0.02 0.00 0.00 54.97 53.65 2cp3 s GLU 44 Cb 0.05 -2.40 -0.19 0.00 0.10 0.00 0.00 34.13 31.69 2cp3 s GLU 44 CO 0.89 0.49 2.21 -2.30 0.02 0.00 0.00 175.26 176.57 2cp3 n PRO 45 N 0.26 0.32 -1.48 0.39 -0.02 -1.26 -4.50 135.00 128.71 2cp3 n PRO 45 Ca -0.11 -0.79 0.01 0.00 -2.02 0.00 0.00 63.50 60.59 2cp3 n PRO 45 Cb 0.54 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 2cp3 n PRO 45 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2cp3 n LEU 46 N 15.44 0.52 0.00 2.45 4.77 -1.23 -5.05 117.00 133.89 2cp3 n LEU 46 Ca 0.47 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 2cp3 n LEU 46 Cb 0.39 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2cp3 n LEU 46 CO 0.66 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 2cp3 n GLY 47 N 0.28 2.70 0.03 -0.72 0.00 -1.24 -4.99 105.19 101.25 2cp3 n GLY 47 Ca -0.02 -2.16 -0.04 0.00 0.00 0.00 0.00 46.02 43.80 2cp3 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cp3 n LYS 48 N -0.66 0.64 -3.55 1.61 4.76 -1.26 -4.81 118.16 114.88 2cp3 n LYS 48 Ca 0.00 0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.33 2cp3 n LYS 48 Cb 0.00 -1.13 -0.05 0.00 -1.84 0.00 0.00 35.03 32.00 2cp3 n LYS 48 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2cp3 n ASN 49 N -2.61 -0.36 -2.07 4.39 3.02 -1.17 -4.83 115.26 111.62 2cp3 n ASN 49 Ca -0.11 -2.52 -0.27 0.00 -0.03 0.00 0.00 54.58 51.66 2cp3 n ASN 49 Cb 0.63 1.12 0.09 0.00 -0.61 0.00 0.00 39.78 41.01 2cp3 n ASN 49 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2cp3 n ASP 50 N -2.06 5.83 -1.04 6.41 5.68 -1.25 -1.49 116.55 128.62 2cp3 n ASP 50 Ca 0.05 -3.76 -0.05 0.00 -0.50 0.00 0.00 54.79 50.52 2cp3 n ASP 50 Cb 0.42 -0.72 0.01 0.00 -1.14 0.00 0.00 41.12 39.69 2cp3 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cp3 n GLY 51 N -0.90 0.53 3.05 6.12 0.00 -1.23 -3.88 105.19 108.88 2cp3 n GLY 51 Ca 0.53 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2cp3 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cp3 s ALA 52 N -2.89 0.00 -0.10 4.61 0.00 -1.26 -2.69 121.76 119.43 2cp3 s ALA 52 Ca 0.10 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 2cp3 s ALA 52 Cb -0.05 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.30 2cp3 s ALA 52 CO 0.13 -0.22 0.19 0.08 0.00 0.00 0.00 175.76 175.93 2cp3 s VAL 53 N -1.87 -0.29 -1.81 0.00 1.01 0.13 -4.85 120.40 112.71 2cp3 s VAL 53 Ca -0.12 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2cp3 s VAL 53 Cb -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.99 2cp3 s VAL 53 CO -0.02 0.14 0.00 0.00 0.00 0.00 0.00 175.10 175.22 2cp3 n ALA 54 N 5.31 -0.61 0.00 5.51 0.00 -1.26 -1.43 120.51 128.03 2cp3 n ALA 54 Ca -0.05 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2cp3 n ALA 54 Cb 0.50 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2cp3 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cp3 n GLY 55 N -1.00 2.99 3.67 0.00 0.00 -1.26 -5.02 105.19 104.57 2cp3 n GLY 55 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2cp3 n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cp3 s THR 56 N -2.48 4.49 -0.21 2.61 2.01 -0.51 -5.02 115.64 116.53 2cp3 s THR 56 Ca 0.00 1.80 -0.04 0.00 0.31 0.00 0.00 61.69 63.75 2cp3 s THR 56 Cb 0.00 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 2cp3 s THR 56 CO 0.00 -0.12 -0.03 -0.60 -0.69 0.00 0.00 174.62 173.18 2cp3 s ARG 57 N 3.05 3.46 -0.12 4.92 3.52 -1.26 0.17 118.95 132.68 2cp3 s ARG 57 Ca 0.50 -0.59 -0.12 0.00 -0.13 0.00 0.00 55.73 55.39 2cp3 s ARG 57 Cb -0.19 -3.03 -0.11 0.00 -1.56 0.00 0.00 34.95 30.06 2cp3 s ARG 57 CO 0.13 -0.12 0.28 1.88 -0.81 0.00 0.00 175.30 176.65 2cp3 h TYR 58 N 7.88 0.00 -3.12 5.12 -1.99 -1.90 -3.48 116.97 119.49 2cp3 h TYR 58 Ca -0.39 0.00 -0.64 0.00 2.00 0.00 0.00 58.73 59.70 2cp3 h TYR 58 Cb 1.17 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 39.72 2cp3 h TYR 58 CO 0.59 0.44 -0.82 -0.59 -0.00 0.00 0.00 178.16 177.79 2cp3 s PHE 59 N -1.89 2.27 -0.31 4.88 -0.71 -1.25 -5.11 117.98 115.87 2cp3 s PHE 59 Ca -0.10 -0.36 -0.24 0.00 -1.04 0.00 0.00 56.93 55.19 2cp3 s PHE 59 Cb -0.01 -1.11 0.00 0.00 -1.21 0.00 0.00 43.02 40.69 2cp3 s PHE 59 CO 0.30 0.51 0.84 -1.14 -1.34 0.00 0.00 175.22 174.39 2cp3 s GLN 60 N -2.75 3.98 0.03 1.99 2.00 -1.26 -4.69 119.66 118.96 2cp3 s GLN 60 Ca 0.21 0.67 -0.08 0.00 -2.00 0.00 0.00 55.36 54.17 2cp3 s GLN 60 Cb -0.08 -3.73 -0.00 0.00 0.80 0.00 0.00 33.01 30.00 2cp3 s GLN 60 CO 0.10 -0.72 0.15 0.00 -0.50 0.00 0.00 175.29 174.32 2cp3 s PRO 62 N -2.38 -0.32 0.21 0.00 0.04 -1.26 -4.78 135.00 126.50 2cp3 s PRO 62 Ca -0.07 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 2cp3 s PRO 62 Cb -0.02 -1.66 -0.09 0.00 0.04 0.00 0.00 34.50 32.78 2cp3 s PRO 62 CO -0.03 -3.22 1.25 -1.25 0.04 0.00 0.00 177.00 173.79 2cp3 s PRO 63 N -4.92 4.44 -1.13 0.56 0.04 -1.26 -3.53 135.00 129.21 2cp3 s PRO 63 Ca 0.67 1.98 -0.00 0.00 0.04 0.00 0.00 61.00 63.68 2cp3 s PRO 63 Cb -0.19 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 2cp3 s PRO 63 CO 0.59 -0.16 0.94 1.63 0.04 0.00 0.00 177.00 180.04 2cp3 n LYS 64 N 2.38 -6.01 0.00 4.56 4.76 -1.25 -4.89 118.16 117.71 2cp3 n LYS 64 Ca 0.05 0.81 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 2cp3 n LYS 64 Cb 0.44 -5.68 0.00 0.00 -1.84 0.00 0.00 35.03 27.94 2cp3 n LYS 64 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2cp3 n PHE 65 N -3.91 -0.35 -2.25 2.13 3.01 -1.16 -3.58 117.46 111.35 2cp3 n PHE 65 Ca -0.26 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.78 2cp3 n PHE 65 Cb 0.66 0.46 -0.03 0.00 -0.01 0.00 0.00 39.48 40.56 2cp3 n PHE 65 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2cp3 s GLY 66 N -4.40 0.79 -0.15 1.37 0.00 -0.56 -2.44 107.32 101.94 2cp3 s GLY 66 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 44.72 44.26 2cp3 s GLY 66 CO 0.00 2.99 0.03 -2.27 0.00 0.00 0.00 173.10 173.85 2cp3 s LEU 67 N 6.62 3.69 -0.23 0.66 2.96 0.08 -3.02 118.68 129.44 2cp3 s LEU 67 Ca 0.62 0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 54.49 2cp3 s LEU 67 Cb -0.14 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 2cp3 s LEU 67 CO 0.27 0.23 0.18 -0.36 -1.32 0.00 0.00 176.35 175.35 2cp3 s PHE 68 N 0.03 3.33 -0.00 5.38 0.08 -1.26 0.55 117.98 126.09 2cp3 s PHE 68 Ca 0.04 0.28 -0.02 0.00 0.12 0.00 0.00 56.93 57.35 2cp3 s PHE 68 Cb -0.12 -2.28 -0.00 0.00 -0.57 0.00 0.00 43.02 40.04 2cp3 s PHE 68 CO 0.01 0.09 0.04 0.00 -0.10 0.00 0.00 175.22 175.26 2cp3 s ALA 69 N 1.00 -0.09 0.37 5.36 0.00 -0.87 -4.99 121.76 122.54 2cp3 s ALA 69 Ca 0.09 -0.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.63 2cp3 s ALA 69 Cb -0.13 0.03 -0.12 0.00 0.00 0.00 0.00 23.12 22.90 2cp3 s ALA 69 CO 0.04 -0.11 1.17 -2.30 0.00 0.00 0.00 175.76 174.56 2cp3 n PRO 70 N 2.23 1.76 -0.12 0.00 -0.02 -1.26 -0.55 135.00 137.03 2cp3 n PRO 70 Ca -0.18 0.62 -0.06 0.00 -2.02 0.00 0.00 63.50 61.85 2cp3 n PRO 70 Cb 0.57 -2.18 0.02 0.00 -0.02 0.00 0.00 33.50 31.89 2cp3 n PRO 70 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2cp3 h ILE 71 N 2.10 0.96 0.00 4.25 2.10 -1.79 -0.75 117.51 124.38 2cp3 h ILE 71 Ca -0.45 -0.13 -0.01 0.00 1.08 0.00 0.00 64.86 65.35 2cp3 h ILE 71 Cb 1.31 0.55 -0.00 0.00 -1.09 0.00 0.00 36.82 37.58 2cp3 h ILE 71 CO 0.60 0.07 -0.04 1.12 -1.08 0.00 0.00 178.15 178.82 2cp3 h HIS 72 N 0.38 0.00 0.00 2.19 2.07 -1.84 -1.42 115.15 116.53 2cp3 h HIS 72 Ca 0.17 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.60 2cp3 h HIS 72 Cb 0.09 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.05 2cp3 h HIS 72 CO -0.11 0.04 -0.67 0.87 -3.07 0.00 0.00 177.93 175.00 2cp3 h LYS 73 N 0.00 0.00 -6.79 5.12 1.79 -1.47 -3.45 116.57 111.78 2cp3 h LYS 73 Ca -0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 2cp3 h LYS 73 Cb 0.20 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.90 2cp3 h LYS 73 CO 0.01 0.33 0.64 0.08 -1.08 0.00 0.00 179.45 179.43 2cp3 s VAL 74 N -3.03 2.95 -0.25 0.50 1.01 -0.54 -4.83 120.40 116.21 2cp3 s VAL 74 Ca 0.03 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.88 2cp3 s VAL 74 Cb 0.08 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.95 2cp3 s VAL 74 CO 0.75 0.17 -0.10 -0.63 0.00 0.00 0.00 175.10 175.29 2cp3 s ILE 75 N -0.55 2.39 0.15 2.22 1.01 -1.11 -4.64 121.20 120.67 2cp3 s ILE 75 Ca 0.53 -1.41 -0.31 0.00 0.00 0.00 0.00 60.65 59.45 2cp3 s ILE 75 Cb -0.38 -2.32 -0.11 0.00 0.01 0.00 0.00 42.46 39.66 2cp3 s ILE 75 CO 0.45 0.07 1.81 -0.60 0.00 0.00 0.00 174.94 176.68 2cp3 s ARG 76 N 1.18 4.13 -0.22 2.79 3.52 -1.26 -1.02 118.95 128.07 2cp3 s ARG 76 Ca -0.05 2.62 -0.01 0.00 -0.13 0.00 0.00 55.73 58.15 2cp3 s ARG 76 Cb -0.18 -3.45 0.06 0.00 -1.56 0.00 0.00 34.95 29.82 2cp3 s ARG 76 CO -0.05 -0.83 0.01 0.96 -0.81 0.00 0.00 175.30 174.58 2cp3 s ILE 77 N 2.31 0.89 -0.39 4.11 -4.36 -1.22 -4.89 121.20 117.65 2cp3 s ILE 77 Ca 0.80 -0.87 0.05 0.00 -0.26 0.00 0.00 60.65 60.37 2cp3 s ILE 77 Cb -0.47 -1.35 0.32 0.00 1.25 0.00 0.00 42.46 42.21 2cp3 s ILE 77 CO 0.35 -0.23 1.27 0.61 0.24 0.00 0.00 174.94 177.18 2cp3 n GLY 78 N 4.90 -0.45 2.96 6.27 0.00 -1.26 -4.59 105.19 113.02 2cp3 n GLY 78 Ca -0.09 0.44 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 2cp3 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cp3 n SER 79 N 0.41 -0.17 -3.62 1.61 7.64 -1.26 -5.18 113.62 113.04 2cp3 n SER 79 Ca -0.00 -3.00 -0.05 0.00 1.01 0.00 0.00 58.87 56.83 2cp3 n SER 79 Cb 0.73 1.38 -0.04 0.00 -1.01 0.00 0.00 64.21 65.26 2cp3 n SER 79 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cp3 s GLY 80 N -3.17 -0.02 0.34 0.23 0.00 -1.26 -5.03 107.32 98.41 2cp3 s GLY 80 Ca 0.32 2.59 0.14 0.00 0.00 0.00 0.00 44.72 47.77 2cp3 s GLY 80 CO 0.23 1.10 1.73 -0.56 0.00 0.00 0.00 173.10 175.59 2cp3 h PRO 81 N 2.24 0.00 -6.36 2.90 0.13 -2.08 -3.45 132.00 125.38 2cp3 h PRO 81 Ca -0.12 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.54 2cp3 h PRO 81 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2cp3 h PRO 81 CO 0.25 0.45 -0.26 -1.54 -0.23 0.00 0.00 178.00 176.67 2cp3 s SER 82 N -6.73 5.25 -0.11 1.44 1.04 -1.26 -5.14 113.70 108.19 2cp3 s SER 82 Ca -0.01 -0.70 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 2cp3 s SER 82 Cb 0.13 -0.30 0.04 0.00 0.10 0.00 0.00 66.02 65.99 2cp3 s SER 82 CO 0.72 -0.90 0.28 -0.44 0.98 0.00 0.00 173.24 173.88 2cp3 s SER 83 N -4.36 -0.30 0.00 7.02 0.01 -1.26 -5.16 113.70 109.66 2cp3 s SER 83 Ca 0.53 0.58 0.00 0.00 1.31 0.00 0.00 55.95 58.36 2cp3 s SER 83 Cb -0.06 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2cp3 s SER 83 CO 0.32 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.45