#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 0.51 -0.12 1.61 0.01 -1.26 -4.97 113.70 109.48 2cp3 s SER 2 Ca 0.00 -1.34 0.05 0.00 1.31 0.00 0.00 55.95 55.97 2cp3 s SER 2 Cb 0.00 0.91 0.15 0.00 0.21 0.00 0.00 66.02 67.29 2cp3 s SER 2 CO 0.00 -0.24 0.87 -1.54 0.41 0.00 0.00 173.24 172.74 2cp3 n SER 3 N 4.34 -0.59 -4.72 2.44 3.41 -1.26 -5.14 113.62 112.11 2cp3 n SER 3 Ca 0.11 -1.43 -0.36 0.00 -0.26 0.00 0.00 58.87 56.93 2cp3 n SER 3 Cb 0.48 0.27 -0.07 0.00 -0.26 0.00 0.00 64.21 64.62 2cp3 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cp3 s GLY 4 N -0.47 2.15 -0.11 5.00 0.00 -1.26 -4.95 107.32 107.69 2cp3 s GLY 4 Ca 0.03 -0.53 0.09 0.00 0.00 0.00 0.00 44.72 44.31 2cp3 s GLY 4 CO -0.05 0.41 0.03 -1.26 0.00 0.00 0.00 173.10 172.23 2cp3 n SER 5 N 3.69 2.41 -1.36 1.64 2.88 -1.26 -5.12 113.62 116.50 2cp3 n SER 5 Ca -0.13 -0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.59 2cp3 n SER 5 Cb 0.52 0.70 -0.06 0.00 -0.75 0.00 0.00 64.21 64.62 2cp3 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cp3 n SER 6 N -2.43 -8.13 0.00 -3.46 2.88 -1.26 -5.03 113.62 96.19 2cp3 n SER 6 Ca -0.18 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 2cp3 n SER 6 Cb 0.84 -4.32 0.00 0.00 -0.75 0.00 0.00 64.21 59.99 2cp3 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cp3 n GLY 7 N -4.16 0.94 3.75 0.46 0.00 -1.26 -5.15 105.19 99.77 2cp3 n GLY 7 Ca -0.02 0.50 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 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 4.48 0.42 0.99 1.43 -1.26 -5.02 118.68 119.72 2cp3 s LEU 8 Ca 0.00 2.33 -0.14 0.00 -1.03 0.00 0.00 54.13 55.29 2cp3 s LEU 8 Cb 0.00 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 2cp3 s LEU 8 CO 0.00 -0.33 0.85 -0.13 0.23 0.00 0.00 176.35 176.97 2cp3 s ARG 9 N -0.88 3.92 0.29 1.70 1.81 -1.26 -4.88 118.95 119.66 2cp3 s ARG 9 Ca 0.50 0.73 -0.29 0.00 -1.72 0.00 0.00 55.73 54.94 2cp3 s ARG 9 Cb -0.34 -2.30 -0.10 0.00 -0.45 0.00 0.00 34.95 31.76 2cp3 s ARG 9 CO 0.41 -0.07 1.37 -0.51 -0.68 0.00 0.00 175.30 175.82 2cp3 s LEU 10 N -3.67 4.40 -0.06 2.53 1.43 -1.26 -3.34 118.68 118.71 2cp3 s LEU 10 Ca 0.55 2.68 -0.00 0.00 -1.03 0.00 0.00 54.13 56.33 2cp3 s LEU 10 Cb -0.10 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2cp3 s LEU 10 CO 0.26 -0.62 0.05 0.61 0.23 0.00 0.00 176.35 176.88 2cp3 n GLY 11 N 1.46 0.86 3.32 -3.19 0.00 -0.72 -5.00 105.19 101.92 2cp3 n GLY 11 Ca 0.03 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2cp3 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cp3 s ASP 12 N -3.01 3.72 -0.36 1.61 -1.08 -1.21 -4.85 116.67 111.49 2cp3 s ASP 12 Ca 0.03 -0.41 -0.29 0.00 -0.52 0.00 0.00 52.55 51.36 2cp3 s ASP 12 Cb -0.01 -1.55 -0.00 0.00 -1.46 0.00 0.00 42.92 39.89 2cp3 s ASP 12 CO 0.03 0.15 1.60 -0.60 0.52 0.00 0.00 175.17 176.87 2cp3 s ARG 13 N 0.42 3.48 0.40 4.34 3.52 -1.26 -1.09 118.95 128.77 2cp3 s ARG 13 Ca -0.12 1.21 0.07 0.00 -0.13 0.00 0.00 55.73 56.76 2cp3 s ARG 13 Cb -0.16 -4.10 -0.07 0.00 -1.56 0.00 0.00 34.95 29.05 2cp3 s ARG 13 CO 0.06 -1.68 0.05 0.14 -0.81 0.00 0.00 175.30 173.06 2cp3 s VAL 14 N 6.06 2.13 -0.25 7.11 -7.23 0.22 -2.36 120.40 126.07 2cp3 s VAL 14 Ca 0.70 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2cp3 s VAL 14 Cb -0.18 -2.97 0.03 0.00 0.56 0.00 0.00 36.38 33.81 2cp3 s VAL 14 CO 0.33 -0.02 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.81 2cp3 s LEU 15 N -3.76 3.15 -0.47 1.32 2.96 -0.25 -1.51 118.68 120.12 2cp3 s LEU 15 Ca 0.36 -0.86 -0.18 0.00 -0.22 0.00 0.00 54.13 53.23 2cp3 s LEU 15 Cb 0.07 -1.66 0.05 0.00 0.50 0.00 0.00 46.19 45.16 2cp3 s LEU 15 CO 0.19 -0.12 0.53 -0.69 -1.32 0.00 0.00 176.35 174.94 2cp3 s VAL 16 N 1.32 5.00 0.00 1.68 1.01 -0.10 -3.43 120.40 125.88 2cp3 s VAL 16 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2cp3 s VAL 16 Cb -0.16 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2cp3 s VAL 16 CO -0.05 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.01 2cp3 n GLY 17 N 5.16 3.02 0.00 4.51 0.00 -1.26 -3.51 105.19 113.11 2cp3 n GLY 17 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.45 1.82 1.68 -0.02 0.00 -1.26 -4.95 105.19 102.00 2cp3 n GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2cp3 n GLY 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cp3 n THR 19 N -0.63 0.00 -2.12 2.61 -1.04 -1.26 -5.09 114.28 106.76 2cp3 n THR 19 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 2cp3 n THR 19 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 2cp3 n THR 19 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2cp3 s LYS 20 N -1.97 3.41 -0.25 -2.82 1.02 -1.23 -4.91 119.74 112.98 2cp3 s LYS 20 Ca 0.00 1.24 -0.20 0.00 0.02 0.00 0.00 55.97 57.02 2cp3 s LYS 20 Cb 0.00 -4.14 -0.02 0.00 -0.52 0.00 0.00 37.83 33.15 2cp3 s LYS 20 CO 0.00 -1.77 0.63 0.95 -0.92 0.00 0.00 175.35 174.24 2cp3 s THR 21 N 6.41 4.99 0.04 2.17 -4.23 -1.26 -0.93 115.64 122.83 2cp3 s THR 21 Ca 0.73 1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 62.34 2cp3 s THR 21 Cb -0.19 -3.94 -0.02 0.00 1.34 0.00 0.00 72.50 69.69 2cp3 s THR 21 CO 0.33 0.03 0.05 -0.83 -0.54 0.00 0.00 174.62 173.67 2cp3 s GLY 22 N 1.45 0.24 0.09 3.99 0.00 -0.57 -3.58 107.32 108.95 2cp3 s GLY 22 Ca 0.26 -0.69 -0.18 0.00 0.00 0.00 0.00 44.72 44.12 2cp3 s GLY 22 CO 0.09 -0.81 0.56 0.14 0.00 0.00 0.00 173.10 173.07 2cp3 s VAL 23 N -2.72 4.79 -0.01 1.40 1.01 -0.85 -0.61 120.40 123.40 2cp3 s VAL 23 Ca -0.04 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 2cp3 s VAL 23 Cb -0.01 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2cp3 s VAL 23 CO -0.05 0.46 1.59 -0.69 0.00 0.00 0.00 175.10 176.40 2cp3 s VAL 24 N -1.22 3.47 -0.13 2.92 1.01 -0.25 -1.09 120.40 125.10 2cp3 s VAL 24 Ca 0.32 0.75 0.11 0.00 0.00 0.00 0.00 61.98 63.16 2cp3 s VAL 24 Cb -0.18 -3.48 -0.16 0.00 0.00 0.00 0.00 36.38 32.56 2cp3 s VAL 24 CO 0.19 -0.03 0.04 0.54 0.00 0.00 0.00 175.10 175.83 2cp3 n ARG 25 N 6.28 1.86 -4.08 2.72 5.12 0.14 -1.75 116.66 126.95 2cp3 n ARG 25 Ca 0.16 -0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.94 2cp3 n ARG 25 Cb 0.42 -1.33 -0.12 0.00 -1.16 0.00 0.00 32.46 30.28 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 -2.31 0.68 -0.25 -1.55 5.04 -1.11 -4.88 117.35 112.96 2cp3 s TYR 26 Ca -0.07 -0.46 -0.02 0.00 -2.44 0.00 0.00 57.07 54.09 2cp3 s TYR 26 Cb 0.04 -0.41 0.13 0.00 0.35 0.00 0.00 41.96 42.07 2cp3 s TYR 26 CO 0.53 -0.07 0.34 0.08 -1.34 0.00 0.00 175.55 175.08 2cp3 s VAL 27 N -1.26 -0.52 -3.37 3.14 1.01 -1.26 -2.04 120.40 116.11 2cp3 s VAL 27 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2cp3 s VAL 27 Cb -0.09 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.43 2cp3 s VAL 27 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.47 2cp3 n GLY 28 N 5.34 -1.21 3.90 4.51 0.00 -1.02 -5.06 105.19 111.64 2cp3 n GLY 28 Ca -0.03 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 2cp3 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cp3 s GLU 29 N -1.35 3.66 0.43 1.61 2.02 -1.26 -0.61 118.70 123.20 2cp3 s GLU 29 Ca 0.00 0.02 0.04 0.00 0.02 0.00 0.00 54.97 55.04 2cp3 s GLU 29 Cb 0.00 -2.69 0.04 0.00 0.10 0.00 0.00 34.13 31.57 2cp3 s GLU 29 CO 0.00 0.29 0.29 0.25 0.02 0.00 0.00 175.26 176.11 2cp3 n THR 30 N -0.58 0.00 -0.07 3.63 -2.24 -1.22 -4.88 114.28 108.92 2cp3 n THR 30 Ca -0.02 -1.74 -0.10 0.00 -2.27 0.00 0.00 64.05 59.92 2cp3 n THR 30 Cb 0.53 -0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 2cp3 n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2cp3 n ASP 31 N -1.81 2.82 -0.15 3.42 8.00 -1.26 -4.63 116.55 122.94 2cp3 n ASP 31 Ca -0.03 -0.07 -0.10 0.00 0.71 0.00 0.00 54.79 55.29 2cp3 n ASP 31 Cb 0.50 -0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.44 2cp3 n ASP 31 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 2cp3 h PHE 32 N 0.00 0.86 -3.41 1.24 -5.15 -1.98 -3.43 116.94 105.06 2cp3 h PHE 32 Ca -0.32 -0.15 -0.66 0.00 -0.20 0.00 0.00 57.97 56.63 2cp3 h PHE 32 Cb 1.52 -0.22 -0.14 0.00 0.22 0.00 0.00 35.95 37.33 2cp3 h PHE 32 CO 0.02 0.84 -0.66 0.00 -2.00 0.00 0.00 178.31 176.51 2cp3 s ALA 33 N -4.98 3.22 -0.34 12.09 0.00 -1.26 -5.09 121.76 125.40 2cp3 s ALA 33 Ca -0.13 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.59 2cp3 s ALA 33 Cb 0.11 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2cp3 s ALA 33 CO 0.81 0.65 0.74 0.15 0.00 0.00 0.00 175.76 178.12 2cp3 s LYS 34 N -1.74 3.83 0.00 0.00 1.02 -1.26 -4.33 119.74 117.26 2cp3 s LYS 34 Ca 0.21 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.56 2cp3 s LYS 34 Cb -0.11 -3.77 0.00 0.00 -0.52 0.00 0.00 37.83 33.42 2cp3 s LYS 34 CO 0.12 -0.74 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 2cp3 n GLY 35 N 4.43 0.65 3.66 -3.33 0.00 -1.26 -5.05 105.19 104.28 2cp3 n GLY 35 Ca 0.02 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 2cp3 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cp3 s GLU 36 N -1.00 4.08 0.21 1.61 2.12 -1.26 -3.38 118.70 121.09 2cp3 s GLU 36 Ca 0.00 -0.19 0.11 0.00 0.36 0.00 0.00 54.97 55.25 2cp3 s GLU 36 Cb 0.00 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 2cp3 s GLU 36 CO 0.00 0.04 -0.20 -1.58 -0.54 0.00 0.00 175.26 172.97 2cp3 s TRP 37 N 1.12 2.36 -0.08 5.30 0.52 0.22 -1.97 118.94 126.41 2cp3 s TRP 37 Ca 0.09 -0.33 -0.00 0.00 0.02 0.00 0.00 56.10 55.88 2cp3 s TRP 37 Cb -0.14 -1.13 0.03 0.00 -1.15 0.00 0.00 33.47 31.08 2cp3 s TRP 37 CO 0.05 0.56 -0.04 0.00 0.02 0.00 0.00 176.95 177.54 2cp3 s GLY 39 N 1.64 1.75 -0.17 0.00 0.00 -0.86 -2.35 107.32 107.33 2cp3 s GLY 39 Ca 0.01 0.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.96 2cp3 s GLY 39 CO -0.05 2.22 -0.06 0.14 0.00 0.00 0.00 173.10 175.35 2cp3 s VAL 40 N 3.13 3.51 -0.45 1.40 1.01 0.55 0.23 120.40 129.79 2cp3 s VAL 40 Ca 0.46 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 2cp3 s VAL 40 Cb -0.17 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.71 2cp3 s VAL 40 CO 0.09 0.48 0.46 -0.70 0.00 0.00 0.00 175.10 175.42 2cp3 s GLU 41 N 0.73 3.07 0.41 2.72 -6.30 -0.25 -1.52 118.70 117.56 2cp3 s GLU 41 Ca -0.03 -0.90 -0.24 0.00 -2.50 0.00 0.00 54.97 51.30 2cp3 s GLU 41 Cb -0.15 -4.02 -0.09 0.00 0.00 0.00 0.00 34.13 29.88 2cp3 s GLU 41 CO 0.02 -0.95 1.09 -0.51 0.02 0.00 0.00 175.26 174.93 2cp3 s LEU 42 N 2.11 4.12 0.26 2.70 1.43 -0.66 -2.01 118.68 126.63 2cp3 s LEU 42 Ca 0.11 2.13 -0.00 0.00 -1.03 0.00 0.00 54.13 55.33 2cp3 s LEU 42 Cb -0.19 -4.17 0.34 0.00 0.03 0.00 0.00 46.19 42.20 2cp3 s LEU 42 CO 0.12 -0.59 1.72 0.44 0.23 0.00 0.00 176.35 178.26 2cp3 h ASP 43 N 2.43 0.64 -3.07 2.29 3.32 -1.90 -3.44 116.42 116.69 2cp3 h ASP 43 Ca -0.49 -0.20 -0.64 0.00 0.02 0.00 0.00 57.03 55.73 2cp3 h ASP 43 Cb 1.22 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.52 2cp3 h ASP 43 CO 0.62 0.81 -0.56 -1.61 -1.72 0.00 0.00 179.24 176.78 2cp3 s GLU 44 N -4.69 3.10 -1.10 3.56 8.01 -1.26 -5.02 118.70 121.30 2cp3 s GLU 44 Ca -0.08 -0.54 -0.22 0.00 0.01 0.00 0.00 54.97 54.14 2cp3 s GLU 44 Cb 0.14 -2.86 -0.08 0.00 -4.31 0.00 0.00 34.13 27.01 2cp3 s GLU 44 CO 0.81 0.61 1.92 -0.35 0.01 0.00 0.00 175.26 178.25 2cp3 n PRO 45 N 0.71 1.82 -1.10 0.39 -0.04 -1.26 -4.52 135.00 131.01 2cp3 n PRO 45 Ca -0.10 -2.42 0.04 0.00 -0.04 0.00 0.00 63.50 60.99 2cp3 n PRO 45 Cb 0.52 -3.48 0.11 0.00 -0.04 0.00 0.00 33.50 30.61 2cp3 n PRO 45 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2cp3 n LEU 46 N 11.62 1.96 0.00 1.53 4.77 -0.98 -4.95 117.00 130.95 2cp3 n LEU 46 Ca 0.47 -3.04 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 2cp3 n LEU 46 Cb 0.45 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2cp3 n LEU 46 CO 0.79 1.00 0.00 0.61 -1.33 0.00 0.00 177.39 178.46 2cp3 n GLY 47 N -0.36 4.03 1.42 -0.72 0.00 -0.63 -4.99 105.19 103.95 2cp3 n GLY 47 Ca 0.13 -2.07 -0.00 0.00 0.00 0.00 0.00 46.02 44.08 2cp3 n GLY 47 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cp3 n LYS 48 N -0.14 0.12 -3.82 1.61 -0.00 -1.26 -4.59 118.16 110.07 2cp3 n LYS 48 Ca 0.00 -1.71 -0.05 0.00 -0.00 0.00 0.00 58.31 56.55 2cp3 n LYS 48 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 35.03 35.14 2cp3 n LYS 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2cp3 s ASN 49 N -1.72 -0.10 -0.15 -5.58 0.01 -1.23 -4.85 114.94 101.33 2cp3 s ASN 49 Ca 0.21 -0.71 0.17 0.00 -0.71 0.00 0.00 52.86 51.83 2cp3 s ASN 49 Cb 0.25 0.63 0.44 0.00 0.41 0.00 0.00 41.25 42.98 2cp3 s ASN 49 CO -0.10 -1.21 1.19 -0.90 -1.51 0.00 0.00 177.10 174.56 2cp3 n ASP 50 N -0.91 1.80 -0.65 -1.22 5.68 -1.23 -1.40 116.55 118.62 2cp3 n ASP 50 Ca -0.05 -2.99 -0.06 0.00 -0.50 0.00 0.00 54.79 51.19 2cp3 n ASP 50 Cb 0.60 -0.42 -0.01 0.00 -1.14 0.00 0.00 41.12 40.15 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 -0.42 0.23 3.06 6.12 0.00 -1.24 -3.84 105.19 109.11 2cp3 n GLY 51 Ca 0.16 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.29 -0.28 -0.11 4.61 0.00 -1.26 -1.65 121.76 120.78 2cp3 s ALA 52 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 2cp3 s ALA 52 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2cp3 s ALA 52 CO 0.00 -0.16 -0.04 0.08 0.00 0.00 0.00 175.76 175.64 2cp3 s VAL 53 N -0.91 0.80 -1.71 0.00 1.01 0.13 -4.78 120.40 114.95 2cp3 s VAL 53 Ca -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2cp3 s VAL 53 Cb -0.06 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2cp3 s VAL 53 CO 0.01 0.28 0.11 0.00 0.00 0.00 0.00 175.10 175.50 2cp3 n ALA 54 N 5.01 -0.66 0.00 5.51 0.00 -1.26 -1.62 120.51 127.49 2cp3 n ALA 54 Ca -0.10 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2cp3 n ALA 54 Cb 0.50 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.48 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 -1.11 2.99 3.60 0.00 0.00 -1.26 -5.02 105.19 104.39 2cp3 n GLY 55 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.92 3.81 -0.18 2.61 2.01 -0.64 -4.99 115.64 115.33 2cp3 s THR 56 Ca 0.00 0.82 -0.06 0.00 0.31 0.00 0.00 61.69 62.76 2cp3 s THR 56 Cb 0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 2cp3 s THR 56 CO 0.00 -0.70 0.02 -0.60 -0.69 0.00 0.00 174.62 172.65 2cp3 s ARG 57 N 5.12 3.77 -0.19 4.92 3.52 -1.26 0.19 118.95 135.01 2cp3 s ARG 57 Ca 0.65 -0.45 -0.23 0.00 -0.13 0.00 0.00 55.73 55.57 2cp3 s ARG 57 Cb -0.15 -3.10 -0.21 0.00 -1.56 0.00 0.00 34.95 29.92 2cp3 s ARG 57 CO 0.33 0.16 0.34 1.88 -0.81 0.00 0.00 175.30 177.20 2cp3 h TYR 58 N 7.04 0.02 -3.66 5.12 -1.99 -1.68 -3.47 116.97 118.34 2cp3 h TYR 58 Ca -0.35 -0.01 -0.50 0.00 2.00 0.00 0.00 58.73 59.87 2cp3 h TYR 58 Cb 1.18 -0.00 -0.32 0.00 2.00 0.00 0.00 36.73 39.59 2cp3 h TYR 58 CO 0.57 1.39 -0.81 -0.59 -0.00 0.00 0.00 178.16 178.72 2cp3 s PHE 59 N -2.34 1.34 -0.21 4.88 -0.71 -1.25 -5.09 117.98 114.61 2cp3 s PHE 59 Ca -0.26 -0.42 -0.29 0.00 -1.04 0.00 0.00 56.93 54.92 2cp3 s PHE 59 Cb 0.04 -0.96 -0.04 0.00 -1.21 0.00 0.00 43.02 40.85 2cp3 s PHE 59 CO 0.62 -0.19 1.96 -1.14 -1.34 0.00 0.00 175.22 175.13 2cp3 s GLN 60 N 0.38 3.46 0.02 1.99 2.00 -1.26 -4.61 119.66 121.64 2cp3 s GLN 60 Ca -0.08 1.90 -0.11 0.00 -2.00 0.00 0.00 55.36 55.07 2cp3 s GLN 60 Cb -0.13 -4.23 0.01 0.00 0.80 0.00 0.00 33.01 29.46 2cp3 s GLN 60 CO 0.02 -1.72 0.22 0.00 -0.50 0.00 0.00 175.29 173.31 2cp3 s PRO 62 N -2.13 1.05 0.48 0.00 0.04 -1.26 -4.71 135.00 128.47 2cp3 s PRO 62 Ca -0.08 0.82 -0.21 0.00 0.04 0.00 0.00 61.00 61.56 2cp3 s PRO 62 Cb -0.03 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 2cp3 s PRO 62 CO -0.01 -2.38 1.10 -1.25 0.04 0.00 0.00 177.00 174.50 2cp3 s PRO 63 N -4.90 3.72 -1.74 0.56 0.04 -1.26 -3.33 135.00 128.09 2cp3 s PRO 63 Ca 0.64 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 63.25 2cp3 s PRO 63 Cb -0.19 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2cp3 s PRO 63 CO 0.57 -0.54 0.11 1.63 0.04 0.00 0.00 177.00 178.81 2cp3 n LYS 64 N -0.78 -2.26 0.00 4.56 4.76 -0.50 -4.80 118.16 119.16 2cp3 n LYS 64 Ca 0.09 0.99 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 2cp3 n LYS 64 Cb 0.50 -5.69 0.00 0.00 -1.84 0.00 0.00 35.03 28.00 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 -4.09 0.00 -3.26 2.13 3.72 -1.04 -1.60 117.46 113.33 2cp3 n PHE 65 Ca -0.22 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.79 2cp3 n PHE 65 Cb 0.68 0.15 -0.06 0.00 -0.94 0.00 0.00 39.48 39.30 2cp3 n PHE 65 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2cp3 s GLY 66 N -4.38 2.20 0.17 1.37 0.00 -1.05 -1.66 107.32 103.97 2cp3 s GLY 66 Ca 0.00 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 44.50 2cp3 s GLY 66 CO 0.00 0.99 -0.16 -2.27 0.00 0.00 0.00 173.10 171.66 2cp3 s LEU 67 N 1.27 2.46 -0.18 0.66 2.96 -0.57 -3.49 118.68 121.80 2cp3 s LEU 67 Ca 0.25 -0.89 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 2cp3 s LEU 67 Cb -0.15 -0.73 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 2cp3 s LEU 67 CO 0.10 -0.09 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.58 2cp3 s PHE 68 N -2.31 2.87 0.02 5.38 0.08 -1.26 -0.33 117.98 122.42 2cp3 s PHE 68 Ca 0.16 -0.91 0.01 0.00 0.12 0.00 0.00 56.93 56.31 2cp3 s PHE 68 Cb -0.04 -1.96 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 2cp3 s PHE 68 CO 0.06 -0.44 -0.04 0.00 -0.10 0.00 0.00 175.22 174.70 2cp3 s ALA 69 N 0.96 0.27 0.50 5.36 0.00 -0.99 -4.96 121.76 122.89 2cp3 s ALA 69 Ca -0.02 -0.42 -0.22 0.00 0.00 0.00 0.00 51.96 51.30 2cp3 s ALA 69 Cb -0.15 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 2cp3 s ALA 69 CO -0.01 -0.04 1.06 -2.30 0.00 0.00 0.00 175.76 174.48 2cp3 n PRO 70 N 2.18 1.31 -0.11 0.00 -0.02 -1.26 -0.50 135.00 136.60 2cp3 n PRO 70 Ca -0.19 0.48 -0.08 0.00 -2.02 0.00 0.00 63.50 61.69 2cp3 n PRO 70 Cb 0.57 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.22 1.09 0.00 4.25 2.10 -1.71 -1.37 117.51 123.10 2cp3 h ILE 71 Ca -0.47 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.29 2cp3 h ILE 71 Cb 1.34 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.64 2cp3 h ILE 71 CO 0.55 0.09 0.00 1.12 -1.08 0.00 0.00 178.15 178.83 2cp3 h HIS 72 N 0.48 0.00 -0.66 2.19 2.07 -1.91 -1.28 115.15 116.04 2cp3 h HIS 72 Ca 0.13 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.44 2cp3 h HIS 72 Cb -0.05 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 29.80 2cp3 h HIS 72 CO -0.05 0.00 0.26 1.63 -3.07 0.00 0.00 177.93 176.70 2cp3 n LYS 73 N -2.77 3.29 -4.89 5.12 4.76 -0.52 -4.91 118.16 118.24 2cp3 n LYS 73 Ca -0.01 -2.64 -0.32 0.00 -2.87 0.00 0.00 58.31 52.47 2cp3 n LYS 73 Cb 0.12 -2.09 -0.14 0.00 -1.84 0.00 0.00 35.03 31.09 2cp3 n LYS 73 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cp3 s VAL 74 N -2.65 2.75 -0.13 -0.18 1.01 -0.48 -4.54 120.40 116.18 2cp3 s VAL 74 Ca 0.48 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2cp3 s VAL 74 Cb 0.38 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.69 2cp3 s VAL 74 CO 0.12 0.49 -0.17 -0.63 0.00 0.00 0.00 175.10 174.91 2cp3 s ILE 75 N -0.78 1.66 0.15 2.22 -1.09 -1.22 -4.98 121.20 117.16 2cp3 s ILE 75 Ca 0.12 -0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 57.51 2cp3 s ILE 75 Cb -0.10 -1.51 -0.08 0.00 -1.58 0.00 0.00 42.46 39.18 2cp3 s ILE 75 CO 0.02 0.47 1.31 -0.60 -1.23 0.00 0.00 174.94 174.92 2cp3 s ARG 76 N 1.06 4.38 -0.02 2.79 6.06 -1.26 -1.09 118.95 130.86 2cp3 s ARG 76 Ca -0.04 2.01 0.23 0.00 -2.50 0.00 0.00 55.73 55.43 2cp3 s ARG 76 Cb -0.15 -3.23 0.39 0.00 0.06 0.00 0.00 34.95 32.02 2cp3 s ARG 76 CO -0.04 -0.30 1.15 0.44 -2.50 0.00 0.00 175.30 174.05 2cp3 n ILE 77 N 3.19 0.09 -2.74 4.11 -5.35 -1.00 -4.92 119.36 112.75 2cp3 n ILE 77 Ca 0.08 -1.03 -0.09 0.00 -0.27 0.00 0.00 62.75 61.44 2cp3 n ILE 77 Cb 0.43 0.97 0.09 0.00 -1.74 0.00 0.00 39.64 39.39 2cp3 n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cp3 n GLY 78 N 0.35 0.81 3.83 3.28 0.00 -1.20 -4.91 105.19 107.35 2cp3 n GLY 78 Ca 0.02 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2cp3 n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cp3 s SER 79 N -1.31 5.56 -0.82 1.61 0.01 -1.26 -4.67 113.70 112.81 2cp3 s SER 79 Ca 0.23 1.58 0.01 0.00 1.31 0.00 0.00 55.95 59.09 2cp3 s SER 79 Cb 0.31 -2.49 0.24 0.00 0.21 0.00 0.00 66.02 64.28 2cp3 s SER 79 CO -0.06 -1.33 0.85 0.61 0.41 0.00 0.00 173.24 173.73 2cp3 n GLY 80 N -2.11 4.51 3.73 3.44 0.00 -1.26 -5.07 105.19 108.44 2cp3 n GLY 80 Ca 0.07 -2.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.01 2cp3 n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cp3 s PRO 81 N -2.00 4.38 0.68 1.61 0.04 -1.26 -5.04 135.00 133.42 2cp3 s PRO 81 Ca 0.32 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.39 2cp3 s PRO 81 Cb 0.03 -3.20 0.09 0.00 0.04 0.00 0.00 34.50 31.45 2cp3 s PRO 81 CO -0.06 -0.27 0.95 -1.12 0.04 0.00 0.00 177.00 176.54 2cp3 s SER 82 N 0.43 4.64 -0.51 6.66 0.01 -1.26 -5.08 113.70 118.59 2cp3 s SER 82 Ca 0.57 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.79 2cp3 s SER 82 Cb -0.36 -0.48 0.15 0.00 0.21 0.00 0.00 66.02 65.53 2cp3 s SER 82 CO 0.37 -1.65 0.33 -0.55 0.41 0.00 0.00 173.24 172.15 2cp3 s SER 83 N -4.61 3.54 0.00 2.44 0.15 -1.26 -5.33 113.70 108.62 2cp3 s SER 83 Ca 0.63 -3.05 0.00 0.00 0.70 0.00 0.00 55.95 54.23 2cp3 s SER 83 Cb -0.08 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 2cp3 s SER 83 CO 0.43 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.28