#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 -0.30 0.00 1.61 0.01 -1.26 -5.15 113.70 108.62 2cp3 s SER 2 Ca 0.00 0.37 -0.30 0.00 1.31 0.00 0.00 55.95 57.33 2cp3 s SER 2 Cb 0.00 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.50 2cp3 s SER 2 CO 0.00 -0.24 0.98 -0.44 0.41 0.00 0.00 173.24 173.95 2cp3 s SER 3 N -0.88 7.37 0.06 2.44 0.01 -1.26 -4.77 113.70 116.67 2cp3 s SER 3 Ca 0.01 1.66 0.00 0.00 1.31 0.00 0.00 55.95 58.93 2cp3 s SER 3 Cb -0.01 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2cp3 s SER 3 CO -0.02 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2cp3 n GLY 4 N 2.89 0.97 2.57 3.44 0.00 -1.26 -4.97 105.19 108.82 2cp3 n GLY 4 Ca 0.06 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 2cp3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cp3 n SER 5 N 0.47 -5.94 0.10 1.61 7.64 -1.26 -4.80 113.62 111.45 2cp3 n SER 5 Ca 0.00 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2cp3 n SER 5 Cb 0.00 -4.89 0.00 0.00 -1.01 0.00 0.00 64.21 58.31 2cp3 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cp3 n SER 6 N -2.09 0.20 -4.30 6.43 3.41 -1.26 -4.64 113.62 111.37 2cp3 n SER 6 Ca -0.21 0.34 -0.39 0.00 -0.26 0.00 0.00 58.87 58.35 2cp3 n SER 6 Cb 0.67 0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 64.66 2cp3 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cp3 s GLY 7 N -4.72 1.91 0.37 5.00 0.00 -1.26 -5.05 107.32 103.57 2cp3 s GLY 7 Ca 0.00 -1.88 0.08 0.00 0.00 0.00 0.00 44.72 42.92 2cp3 s GLY 7 CO 0.00 0.86 0.35 1.08 0.00 0.00 0.00 173.10 175.39 2cp3 s LEU 8 N 1.45 3.53 0.14 0.66 1.43 -1.26 -5.11 118.68 119.51 2cp3 s LEU 8 Ca 0.01 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 2cp3 s LEU 8 Cb -0.21 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2cp3 s LEU 8 CO 0.04 -0.50 0.08 -0.13 0.23 0.00 0.00 176.35 176.07 2cp3 s ARG 9 N -4.07 2.76 -0.39 1.70 0.52 -1.26 -5.01 118.95 113.20 2cp3 s ARG 9 Ca 0.45 -0.87 -0.28 0.00 -0.52 0.00 0.00 55.73 54.51 2cp3 s ARG 9 Cb -0.05 -2.60 0.02 0.00 0.52 0.00 0.00 34.95 32.84 2cp3 s ARG 9 CO 0.28 0.50 1.05 -0.51 0.02 0.00 0.00 175.30 176.64 2cp3 s LEU 10 N -2.82 3.86 0.00 2.53 1.43 -1.26 -3.81 118.68 118.60 2cp3 s LEU 10 Ca 0.29 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2cp3 s LEU 10 Cb -0.11 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2cp3 s LEU 10 CO 0.22 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.40 2cp3 n GLY 11 N 4.35 1.17 3.42 -3.19 0.00 -0.37 -5.04 105.19 105.53 2cp3 n GLY 11 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.61 -0.49 1.61 1.01 -1.25 -4.85 116.67 114.31 2cp3 s ASP 12 Ca 0.00 -0.45 -0.29 0.00 0.71 0.00 0.00 52.55 52.52 2cp3 s ASP 12 Cb 0.00 -0.53 0.03 0.00 1.01 0.00 0.00 42.92 43.43 2cp3 s ASP 12 CO 0.00 0.27 1.14 -0.60 0.21 0.00 0.00 175.17 176.19 2cp3 s ARG 13 N -1.28 3.70 0.35 8.23 3.52 -1.26 0.14 118.95 132.36 2cp3 s ARG 13 Ca 0.13 0.53 0.09 0.00 -0.13 0.00 0.00 55.73 56.35 2cp3 s ARG 13 Cb -0.10 -3.92 -0.05 0.00 -1.56 0.00 0.00 34.95 29.32 2cp3 s ARG 13 CO 0.04 -1.41 0.04 0.14 -0.81 0.00 0.00 175.30 173.30 2cp3 s VAL 14 N 4.49 2.61 -0.19 7.11 -7.23 0.20 -2.17 120.40 125.21 2cp3 s VAL 14 Ca 0.47 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.68 2cp3 s VAL 14 Cb -0.07 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 2cp3 s VAL 14 CO 0.31 -0.17 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.70 2cp3 s LEU 15 N -3.75 3.24 -0.39 1.32 2.96 0.27 -1.71 118.68 120.62 2cp3 s LEU 15 Ca 0.36 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.03 2cp3 s LEU 15 Cb 0.01 -1.81 0.08 0.00 0.50 0.00 0.00 46.19 44.97 2cp3 s LEU 15 CO 0.20 0.09 0.18 -0.69 -1.32 0.00 0.00 176.35 174.82 2cp3 s VAL 16 N 0.82 3.62 0.00 1.68 1.01 -0.59 -2.22 120.40 124.73 2cp3 s VAL 16 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.35 2cp3 s VAL 16 Cb -0.14 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2cp3 s VAL 16 CO 0.02 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 175.25 2cp3 n GLY 17 N 4.74 3.15 0.00 4.51 0.00 -1.26 -3.42 105.19 112.90 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 -1.08 1.74 0.91 -0.02 0.00 -1.26 -4.92 105.19 100.56 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 -1.30 0.00 0.00 0.00 173.32 172.02 2cp3 n THR 19 N -1.10 0.00 -2.61 2.61 -2.24 -1.26 -5.08 114.28 104.61 2cp3 n THR 19 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2cp3 n THR 19 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 2cp3 n THR 19 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2cp3 s LYS 20 N -1.50 3.48 -0.15 -0.78 1.02 -1.22 -4.96 119.74 115.63 2cp3 s LYS 20 Ca 0.00 0.17 -0.24 0.00 0.02 0.00 0.00 55.97 55.93 2cp3 s LYS 20 Cb 0.00 -4.03 -0.02 0.00 -0.52 0.00 0.00 37.83 33.26 2cp3 s LYS 20 CO 0.00 -1.68 0.74 0.95 -0.92 0.00 0.00 175.35 174.44 2cp3 s THR 21 N 4.88 4.96 -0.00 2.17 -4.23 -1.26 -1.54 115.64 120.63 2cp3 s THR 21 Ca 0.41 1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 62.27 2cp3 s THR 21 Cb -0.08 -4.06 0.01 0.00 1.34 0.00 0.00 72.50 69.71 2cp3 s THR 21 CO 0.24 0.11 0.23 -0.83 -0.54 0.00 0.00 174.62 173.83 2cp3 s GLY 22 N 1.08 -0.05 0.08 3.99 0.00 -0.70 -3.80 107.32 107.93 2cp3 s GLY 22 Ca 0.35 0.07 -0.20 0.00 0.00 0.00 0.00 44.72 44.95 2cp3 s GLY 22 CO 0.13 -0.11 0.58 0.14 0.00 0.00 0.00 173.10 173.85 2cp3 s VAL 23 N -1.51 4.71 0.05 1.40 1.01 -0.81 -0.63 120.40 124.62 2cp3 s VAL 23 Ca -0.13 1.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 2cp3 s VAL 23 Cb -0.06 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 2cp3 s VAL 23 CO 0.02 0.55 1.49 -0.69 0.00 0.00 0.00 175.10 176.47 2cp3 s VAL 24 N -1.12 3.36 -0.08 2.92 1.01 0.12 -0.31 120.40 126.29 2cp3 s VAL 24 Ca 0.30 0.83 0.10 0.00 0.00 0.00 0.00 61.98 63.21 2cp3 s VAL 24 Cb -0.20 -3.53 -0.15 0.00 0.00 0.00 0.00 36.38 32.50 2cp3 s VAL 24 CO 0.20 0.01 0.09 0.54 0.00 0.00 0.00 175.10 175.94 2cp3 n ARG 25 N 5.13 1.74 -4.00 2.72 5.12 0.81 -1.23 116.66 126.95 2cp3 n ARG 25 Ca 0.14 -0.03 -0.15 0.00 -1.93 0.00 0.00 57.85 55.88 2cp3 n ARG 25 Cb 0.42 -1.28 -0.15 0.00 -1.16 0.00 0.00 32.46 30.29 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 -2.41 0.26 -0.12 -1.55 5.04 -1.17 -4.89 117.35 112.52 2cp3 s TYR 26 Ca -0.05 -0.03 -0.03 0.00 -2.44 0.00 0.00 57.07 54.52 2cp3 s TYR 26 Cb 0.04 -0.22 0.04 0.00 0.35 0.00 0.00 41.96 42.18 2cp3 s TYR 26 CO 0.46 -0.04 0.04 0.08 -1.34 0.00 0.00 175.55 174.75 2cp3 s VAL 27 N 0.21 0.24 -5.00 3.14 1.01 -1.26 -1.78 120.40 116.96 2cp3 s VAL 27 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2cp3 s VAL 27 Cb -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2cp3 s VAL 27 CO -0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2cp3 n GLY 28 N 5.17 -0.78 3.86 4.51 0.00 -1.17 -5.07 105.19 111.72 2cp3 n GLY 28 Ca -0.07 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.00 3.91 0.41 1.61 2.02 -1.26 -1.53 118.70 121.86 2cp3 s GLU 29 Ca 0.00 0.69 0.06 0.00 0.02 0.00 0.00 54.97 55.73 2cp3 s GLU 29 Cb 0.00 -2.32 0.07 0.00 0.10 0.00 0.00 34.13 31.98 2cp3 s GLU 29 CO 0.00 -0.04 0.56 0.25 0.02 0.00 0.00 175.26 176.05 2cp3 n THR 30 N -1.08 0.00 -0.09 3.63 -2.24 -1.24 -4.89 114.28 108.38 2cp3 n THR 30 Ca 0.04 -1.28 -0.10 0.00 -2.27 0.00 0.00 64.05 60.44 2cp3 n THR 30 Cb 0.54 -0.72 -0.14 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.60 0.80 -0.03 3.42 9.92 -1.26 -4.61 116.55 122.19 2cp3 n ASP 31 Ca 0.11 -0.02 -0.21 0.00 -0.53 0.00 0.00 54.79 54.14 2cp3 n ASP 31 Cb 0.41 0.75 -0.13 0.00 -0.64 0.00 0.00 41.12 41.51 2cp3 n ASP 31 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 2cp3 h PHE 32 N 0.00 0.30 -3.41 1.24 -5.15 -1.99 -3.48 116.94 104.46 2cp3 h PHE 32 Ca -0.49 -0.22 -0.34 0.00 -0.20 0.00 0.00 57.97 56.72 2cp3 h PHE 32 Cb 2.06 -0.01 0.14 0.00 0.22 0.00 0.00 35.95 38.37 2cp3 h PHE 32 CO 0.00 1.57 0.30 0.00 -2.00 0.00 0.00 178.31 178.19 2cp3 n ALA 33 N -3.10 -1.43 -1.28 12.09 0.00 -1.26 -5.02 120.51 120.50 2cp3 n ALA 33 Ca -0.28 -1.37 0.05 0.00 0.00 0.00 0.00 53.44 51.83 2cp3 n ALA 33 Cb 0.85 -0.07 0.07 0.00 0.00 0.00 0.00 19.45 20.30 2cp3 n ALA 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cp3 n LYS 34 N -3.37 0.93 -0.89 0.00 3.00 -1.26 -4.70 118.16 111.87 2cp3 n LYS 34 Ca 0.13 -1.81 0.00 0.00 -0.00 0.00 0.00 58.31 56.63 2cp3 n LYS 34 Cb 0.46 -1.05 0.00 0.00 0.00 0.00 0.00 35.03 34.44 2cp3 n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2cp3 n GLY 35 N -0.77 5.27 3.46 3.14 0.00 -1.26 -5.05 105.19 109.97 2cp3 n GLY 35 Ca 0.08 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.34 3.03 0.11 1.61 2.02 -1.26 -3.61 118.70 120.27 2cp3 s GLU 36 Ca 0.00 -0.95 0.06 0.00 0.02 0.00 0.00 54.97 54.10 2cp3 s GLU 36 Cb 0.00 -4.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.19 2cp3 s GLU 36 CO 0.00 -0.86 -0.03 -1.58 0.02 0.00 0.00 175.26 172.81 2cp3 s TRP 37 N 1.93 2.91 -0.11 1.61 0.52 -0.58 0.18 118.94 125.40 2cp3 s TRP 37 Ca 0.08 -0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.14 2cp3 s TRP 37 Cb -0.19 -1.49 0.02 0.00 -1.15 0.00 0.00 33.47 30.66 2cp3 s TRP 37 CO 0.11 0.47 -0.11 0.00 0.02 0.00 0.00 176.95 177.45 2cp3 s GLY 39 N 1.32 1.02 -0.05 0.00 0.00 -0.73 -2.78 107.32 106.10 2cp3 s GLY 39 Ca -0.02 -0.96 -0.18 0.00 0.00 0.00 0.00 44.72 43.56 2cp3 s GLY 39 CO -0.05 2.60 0.50 0.14 0.00 0.00 0.00 173.10 176.29 2cp3 s VAL 40 N 5.36 5.05 -0.43 1.40 1.01 0.22 -0.13 120.40 132.88 2cp3 s VAL 40 Ca 0.42 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 2cp3 s VAL 40 Cb -0.08 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.54 2cp3 s VAL 40 CO 0.22 0.42 0.29 -0.70 0.00 0.00 0.00 175.10 175.33 2cp3 s GLU 41 N -0.09 2.73 0.87 2.72 -6.30 0.57 -0.35 118.70 118.86 2cp3 s GLU 41 Ca 0.27 -1.37 -0.12 0.00 -2.50 0.00 0.00 54.97 51.25 2cp3 s GLU 41 Cb -0.17 -3.86 0.11 0.00 0.00 0.00 0.00 34.13 30.21 2cp3 s GLU 41 CO 0.13 -0.93 1.10 -0.51 0.02 0.00 0.00 175.26 175.07 2cp3 s LEU 42 N 1.50 2.29 -0.09 2.70 1.43 -0.56 -1.92 118.68 124.04 2cp3 s LEU 42 Ca 0.03 1.29 0.13 0.00 -1.03 0.00 0.00 54.13 54.56 2cp3 s LEU 42 Cb -0.23 -3.75 -0.24 0.00 0.03 0.00 0.00 46.19 42.00 2cp3 s LEU 42 CO 0.04 -2.40 0.50 0.47 0.23 0.00 0.00 176.35 175.19 2cp3 n ASP 43 N -3.71 0.71 -4.96 2.29 8.00 -1.25 -4.89 116.55 112.75 2cp3 n ASP 43 Ca 0.07 0.30 -0.23 0.00 0.71 0.00 0.00 54.79 55.64 2cp3 n ASP 43 Cb 0.57 0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.81 2cp3 n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2cp3 s GLU 44 N -2.57 3.44 -0.62 -1.24 2.02 -1.26 -4.98 118.70 113.48 2cp3 s GLU 44 Ca -0.07 -0.69 -0.17 0.00 0.02 0.00 0.00 54.97 54.06 2cp3 s GLU 44 Cb 0.07 -2.92 -0.15 0.00 0.10 0.00 0.00 34.13 31.24 2cp3 s GLU 44 CO 0.82 0.46 1.84 -0.35 0.02 0.00 0.00 175.26 178.05 2cp3 n PRO 45 N -1.07 1.29 -0.70 0.39 -0.04 -1.26 -4.36 135.00 129.25 2cp3 n PRO 45 Ca -0.08 -1.49 0.06 0.00 -0.04 0.00 0.00 63.50 61.94 2cp3 n PRO 45 Cb 0.56 -2.65 0.17 0.00 -0.04 0.00 0.00 33.50 31.54 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 6.60 2.39 -4.72 1.53 4.77 -1.26 -5.00 117.00 121.31 2cp3 n LEU 46 Ca 0.43 -3.52 -0.23 0.00 -0.03 0.00 0.00 56.01 52.66 2cp3 n LEU 46 Cb 0.30 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 2cp3 n LEU 46 CO 0.92 1.21 -0.21 -0.83 -1.33 0.00 0.00 177.39 177.15 2cp3 s GLY 47 N -2.99 1.95 -0.06 -0.72 0.00 -1.25 -4.90 107.32 99.35 2cp3 s GLY 47 Ca 0.36 -1.84 0.02 0.00 0.00 0.00 0.00 44.72 43.26 2cp3 s GLY 47 CO -0.08 -1.77 -0.04 0.28 0.00 0.00 0.00 173.10 171.50 2cp3 n LYS 48 N -1.13 1.01 -3.70 2.90 5.02 -1.26 -4.26 118.16 116.74 2cp3 n LYS 48 Ca -0.03 0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 2cp3 n LYS 48 Cb 0.61 -1.13 -0.02 0.00 -0.02 0.00 0.00 35.03 34.48 2cp3 n LYS 48 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2cp3 s ASN 49 N -4.34 4.83 -0.14 4.39 0.01 -1.12 -4.57 114.94 114.01 2cp3 s ASN 49 Ca -0.07 -0.98 0.17 0.00 -0.71 0.00 0.00 52.86 51.27 2cp3 s ASN 49 Cb 0.02 -0.11 0.43 0.00 0.41 0.00 0.00 41.25 42.01 2cp3 s ASN 49 CO 0.17 -0.88 1.19 -0.90 -1.51 0.00 0.00 177.10 175.17 2cp3 n ASP 50 N -1.66 1.64 -0.35 -1.22 5.68 -1.25 -2.09 116.55 117.30 2cp3 n ASP 50 Ca 0.02 -3.05 -0.03 0.00 -0.50 0.00 0.00 54.79 51.23 2cp3 n ASP 50 Cb 0.63 -0.42 -0.00 0.00 -1.14 0.00 0.00 41.12 40.18 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 -0.43 0.28 2.70 6.12 0.00 -1.26 -3.72 105.19 108.88 2cp3 n GLY 51 Ca 0.15 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.15 0.76 -0.03 4.61 0.00 -1.26 -1.13 121.76 122.56 2cp3 s ALA 52 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.55 2cp3 s ALA 52 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 2cp3 s ALA 52 CO 0.00 -1.05 -0.20 0.08 0.00 0.00 0.00 175.76 174.59 2cp3 s VAL 53 N 1.97 1.58 -1.71 0.00 1.01 -0.53 -4.71 120.40 118.01 2cp3 s VAL 53 Ca 0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2cp3 s VAL 53 Cb -0.16 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2cp3 s VAL 53 CO -0.08 0.45 0.16 0.00 0.00 0.00 0.00 175.10 175.63 2cp3 n ALA 54 N 2.80 -0.71 -2.00 5.51 0.00 -1.26 -1.51 120.51 123.34 2cp3 n ALA 54 Ca -0.16 0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 2cp3 n ALA 54 Cb 0.53 -2.64 -0.01 0.00 0.00 0.00 0.00 19.45 17.33 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 -1.16 0.19 2.75 0.00 0.00 -1.26 -5.02 105.19 100.70 2cp3 n GLY 55 Ca -0.21 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.39 0.50 -0.44 2.61 2.01 -0.57 -5.11 115.64 112.25 2cp3 s THR 56 Ca 0.00 -0.33 -0.22 0.00 0.31 0.00 0.00 61.69 61.45 2cp3 s THR 56 Cb 0.00 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.66 2cp3 s THR 56 CO 0.00 -0.04 0.71 -0.60 -0.69 0.00 0.00 174.62 174.00 2cp3 s ARG 57 N 1.89 3.36 0.05 4.92 3.52 -1.26 -1.45 118.95 129.97 2cp3 s ARG 57 Ca 0.01 -0.22 -0.16 0.00 -0.13 0.00 0.00 55.73 55.23 2cp3 s ARG 57 Cb -0.15 -3.94 -0.28 0.00 -1.56 0.00 0.00 34.95 29.02 2cp3 s ARG 57 CO -0.07 -1.04 1.10 1.88 -0.81 0.00 0.00 175.30 176.36 2cp3 h TYR 58 N 8.90 0.96 -3.50 5.12 0.05 -1.49 -3.45 116.97 123.55 2cp3 h TYR 58 Ca -0.25 -0.59 -0.31 0.00 0.05 0.00 0.00 58.73 57.63 2cp3 h TYR 58 Cb 1.09 -0.08 -0.34 0.00 1.01 0.00 0.00 36.73 38.40 2cp3 h TYR 58 CO 0.76 1.43 -0.73 -0.59 -1.05 0.00 0.00 178.16 177.98 2cp3 s PHE 59 N -3.02 0.03 -0.03 4.88 -0.71 -1.23 -5.09 117.98 112.81 2cp3 s PHE 59 Ca -0.10 0.14 -0.30 0.00 -1.04 0.00 0.00 56.93 55.64 2cp3 s PHE 59 Cb 0.05 -0.26 -0.08 0.00 -1.21 0.00 0.00 43.02 41.53 2cp3 s PHE 59 CO 0.92 -0.10 1.99 -1.14 -1.34 0.00 0.00 175.22 175.55 2cp3 s GLN 60 N 1.18 3.91 -0.06 1.99 2.00 -1.26 -4.52 119.66 122.90 2cp3 s GLN 60 Ca -0.08 2.42 -0.15 0.00 -2.00 0.00 0.00 55.36 55.56 2cp3 s GLN 60 Cb -0.13 -4.19 0.03 0.00 0.80 0.00 0.00 33.01 29.52 2cp3 s GLN 60 CO -0.03 -1.21 0.34 0.00 -0.50 0.00 0.00 175.29 173.89 2cp3 s PRO 62 N -0.81 3.63 0.37 0.00 0.04 -1.26 -4.78 135.00 132.19 2cp3 s PRO 62 Ca -0.09 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.15 2cp3 s PRO 62 Cb -0.04 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 2cp3 s PRO 62 CO 0.03 -0.59 1.17 -2.30 0.04 0.00 0.00 177.00 175.35 2cp3 n PRO 63 N -1.09 1.77 -2.95 0.56 -0.02 -1.26 -3.35 135.00 128.66 2cp3 n PRO 63 Ca 0.10 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 62.08 2cp3 n PRO 63 Cb 0.52 -2.19 0.06 0.00 -0.02 0.00 0.00 33.50 31.87 2cp3 n PRO 63 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2cp3 n LYS 64 N 0.37 -2.37 0.00 -0.52 4.76 -1.25 -4.89 118.16 114.26 2cp3 n LYS 64 Ca 0.07 0.70 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 2cp3 n LYS 64 Cb 0.37 -5.03 0.00 0.00 -1.84 0.00 0.00 35.03 28.53 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 -2.99 -1.37 -2.83 2.13 3.72 -1.21 -3.76 117.46 111.15 2cp3 n PHE 65 Ca -0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 2cp3 n PHE 65 Cb 0.60 0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 39.38 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 -1.55 1.66 -0.14 1.37 0.00 -0.89 -1.49 107.32 106.28 2cp3 s GLY 66 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.47 2cp3 s GLY 66 CO 0.00 1.94 -0.21 -2.27 0.00 0.00 0.00 173.10 172.56 2cp3 s LEU 67 N 3.19 2.05 -0.16 0.66 0.20 0.53 -2.79 118.68 122.36 2cp3 s LEU 67 Ca 0.37 -0.58 -0.20 0.00 0.69 0.00 0.00 54.13 54.41 2cp3 s LEU 67 Cb -0.14 -1.39 -0.03 0.00 -0.43 0.00 0.00 46.19 44.20 2cp3 s LEU 67 CO 0.13 0.06 0.59 -0.36 -0.29 0.00 0.00 176.35 176.48 2cp3 s PHE 68 N 0.87 3.44 -0.03 5.38 0.08 -1.26 -0.61 117.98 125.85 2cp3 s PHE 68 Ca -0.06 0.95 -0.05 0.00 0.12 0.00 0.00 56.93 57.89 2cp3 s PHE 68 Cb -0.15 -2.72 0.01 0.00 -0.57 0.00 0.00 43.02 39.58 2cp3 s PHE 68 CO -0.03 -0.04 0.13 0.00 -0.10 0.00 0.00 175.22 175.19 2cp3 s ALA 69 N 1.37 -0.31 0.50 5.36 0.00 -1.12 -4.99 121.76 122.58 2cp3 s ALA 69 Ca 0.29 0.16 -0.22 0.00 0.00 0.00 0.00 51.96 52.19 2cp3 s ALA 69 Cb -0.16 -0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.79 2cp3 s ALA 69 CO 0.12 -0.12 1.04 -2.30 0.00 0.00 0.00 175.76 174.50 2cp3 n PRO 70 N 2.42 1.28 -0.14 0.00 -0.02 -1.26 -1.05 135.00 136.23 2cp3 n PRO 70 Ca -0.16 0.47 -0.06 0.00 -2.02 0.00 0.00 63.50 61.72 2cp3 n PRO 70 Cb 0.58 -2.17 0.02 0.00 -0.02 0.00 0.00 33.50 31.91 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 1.19 1.02 0.00 4.25 2.10 -0.59 -0.99 117.51 124.50 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 0.48 -0.00 0.00 -1.09 0.00 0.00 36.82 37.55 2cp3 h ILE 71 CO 0.55 0.09 -0.02 1.12 -1.08 0.00 0.00 178.15 178.81 2cp3 h HIS 72 N 0.50 0.00 -0.56 2.19 2.07 -1.82 -1.58 115.15 115.95 2cp3 h HIS 72 Ca 0.18 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.58 2cp3 h HIS 72 Cb 0.04 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.95 2cp3 h HIS 72 CO -0.08 0.02 0.15 1.63 -3.07 0.00 0.00 177.93 176.58 2cp3 n LYS 73 N -3.18 3.56 -4.52 5.12 4.76 -0.39 -4.90 118.16 118.62 2cp3 n LYS 73 Ca -0.01 -2.51 -0.23 0.00 -2.87 0.00 0.00 58.31 52.68 2cp3 n LYS 73 Cb 0.19 -2.08 -0.14 0.00 -1.84 0.00 0.00 35.03 31.16 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 -2.49 1.39 -0.19 -0.18 1.01 -0.60 -4.54 120.40 114.80 2cp3 s VAL 74 Ca 0.45 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2cp3 s VAL 74 Cb 0.35 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.54 2cp3 s VAL 74 CO 0.12 0.13 -0.18 -0.63 0.00 0.00 0.00 175.10 174.54 2cp3 s ILE 75 N -0.78 2.04 0.77 2.22 1.01 -0.94 -4.96 121.20 120.55 2cp3 s ILE 75 Ca 0.05 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 2cp3 s ILE 75 Cb -0.08 -1.90 0.05 0.00 0.01 0.00 0.00 42.46 40.55 2cp3 s ILE 75 CO 0.01 0.45 1.09 -0.13 0.00 0.00 0.00 174.94 176.36 2cp3 s ARG 76 N 1.28 2.28 0.06 2.79 0.52 -1.26 0.95 118.95 125.56 2cp3 s ARG 76 Ca 0.03 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.41 2cp3 s ARG 76 Cb -0.14 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.43 2cp3 s ARG 76 CO -0.12 -1.63 0.00 -0.89 0.02 0.00 0.00 175.30 172.69 2cp3 n ILE 77 N -3.49 0.21 -3.08 1.52 5.41 -0.92 -4.77 119.36 114.23 2cp3 n ILE 77 Ca 0.09 0.07 -0.40 0.00 1.00 0.00 0.00 62.75 63.51 2cp3 n ILE 77 Cb 0.53 -1.05 -0.06 0.00 -0.71 0.00 0.00 39.64 38.35 2cp3 n ILE 77 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2cp3 s GLY 78 N -4.83 1.98 -0.18 7.39 0.00 -1.23 -4.92 107.32 105.53 2cp3 s GLY 78 Ca 0.00 -0.27 0.14 0.00 0.00 0.00 0.00 44.72 44.59 2cp3 s GLY 78 CO 0.00 1.40 0.14 -1.26 0.00 0.00 0.00 173.10 173.39 2cp3 n SER 79 N 5.27 0.52 0.00 1.64 2.88 -1.26 -4.84 113.62 117.83 2cp3 n SER 79 Ca -0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2cp3 n SER 79 Cb 0.49 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 2cp3 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cp3 n GLY 80 N 1.80 -1.59 0.00 0.46 0.00 -1.26 -5.17 105.19 99.43 2cp3 n GLY 80 Ca -0.32 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2cp3 n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cp3 n PRO 81 N -0.22 -0.63 -3.25 1.61 -0.04 -1.26 -4.99 135.00 126.23 2cp3 n PRO 81 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2cp3 n PRO 81 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 2cp3 n PRO 81 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cp3 s SER 82 N -1.50 6.38 0.31 3.54 0.01 -1.26 -5.04 113.70 116.13 2cp3 s SER 82 Ca 0.00 0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.63 2cp3 s SER 82 Cb 0.00 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 2cp3 s SER 82 CO 0.00 -0.35 0.26 -0.44 0.41 0.00 0.00 173.24 173.13 2cp3 s SER 83 N 1.63 1.37 0.00 2.44 0.01 -1.26 -5.33 113.70 112.57 2cp3 s SER 83 Ca 0.20 -1.68 0.00 0.00 1.31 0.00 0.00 55.95 55.78 2cp3 s SER 83 Cb -0.16 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2cp3 s SER 83 CO 0.11 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.33