#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 -0.57 -0.12 1.61 0.15 -1.26 -5.03 113.70 108.48 2cp3 s SER 2 Ca 0.00 -0.39 0.18 0.00 0.70 0.00 0.00 55.95 56.44 2cp3 s SER 2 Cb 0.00 0.73 0.43 0.00 -1.71 0.00 0.00 66.02 65.47 2cp3 s SER 2 CO 0.00 -0.05 1.19 -1.54 1.20 0.00 0.00 173.24 174.04 2cp3 n SER 3 N 3.52 1.57 -2.49 5.45 3.41 -1.26 -4.84 113.62 118.97 2cp3 n SER 3 Ca 0.08 -2.93 -0.31 0.00 -0.26 0.00 0.00 58.87 55.45 2cp3 n SER 3 Cb 0.62 -0.41 0.03 0.00 -0.26 0.00 0.00 64.21 64.19 2cp3 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cp3 n GLY 4 N -0.34 5.93 3.56 5.00 0.00 -1.26 -5.01 105.19 113.08 2cp3 n GLY 4 Ca 0.14 -2.60 -0.33 0.00 0.00 0.00 0.00 46.02 43.23 2cp3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cp3 s SER 5 N -2.61 4.50 -0.51 1.61 0.15 -1.26 -5.08 113.70 110.49 2cp3 s SER 5 Ca 0.52 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 57.11 2cp3 s SER 5 Cb 0.43 -1.07 0.14 0.00 -1.71 0.00 0.00 66.02 63.81 2cp3 s SER 5 CO -0.18 0.34 0.28 -0.94 1.20 0.00 0.00 173.24 173.94 2cp3 s SER 6 N -0.96 4.11 0.00 5.45 1.04 -1.26 -5.09 113.70 116.98 2cp3 s SER 6 Ca 0.13 -3.00 -0.27 0.00 0.48 0.00 0.00 55.95 53.30 2cp3 s SER 6 Cb -0.11 -1.43 -0.04 0.00 0.10 0.00 0.00 66.02 64.54 2cp3 s SER 6 CO 0.03 -0.22 0.84 -0.83 0.98 0.00 0.00 173.24 174.04 2cp3 s GLY 7 N -0.23 2.81 0.64 7.32 0.00 -1.26 -4.92 107.32 111.69 2cp3 s GLY 7 Ca 0.18 0.36 -0.02 0.00 0.00 0.00 0.00 44.72 45.25 2cp3 s GLY 7 CO -0.02 1.37 0.90 1.08 0.00 0.00 0.00 173.10 176.43 2cp3 s LEU 8 N 0.58 3.07 0.48 0.66 1.43 -1.26 -5.11 118.68 118.53 2cp3 s LEU 8 Ca 0.44 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 2cp3 s LEU 8 Cb -0.20 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.37 2cp3 s LEU 8 CO 0.24 -1.48 0.60 -0.13 0.23 0.00 0.00 176.35 175.81 2cp3 s ARG 9 N -5.01 2.57 0.26 1.70 0.52 -1.26 -4.99 118.95 112.74 2cp3 s ARG 9 Ca 0.61 -1.48 -0.07 0.00 -0.52 0.00 0.00 55.73 54.26 2cp3 s ARG 9 Cb -0.09 -2.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.71 2cp3 s ARG 9 CO 0.42 -0.48 0.56 -0.51 0.02 0.00 0.00 175.30 175.30 2cp3 s LEU 10 N -4.42 4.10 -1.10 2.53 1.43 -1.26 -4.34 118.68 115.63 2cp3 s LEU 10 Ca 0.55 0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 54.44 2cp3 s LEU 10 Cb -0.07 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2cp3 s LEU 10 CO 0.33 -0.14 0.94 0.61 0.23 0.00 0.00 176.35 178.32 2cp3 n GLY 11 N -0.53 -0.29 3.28 -3.19 0.00 -0.79 -5.01 105.19 98.66 2cp3 n GLY 11 Ca -0.00 0.07 -0.27 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 -3.71 2.67 -0.34 1.61 1.01 -1.26 -4.89 116.67 111.76 2cp3 s ASP 12 Ca 0.26 -0.53 -0.27 0.00 0.71 0.00 0.00 52.55 52.73 2cp3 s ASP 12 Cb -0.11 -0.24 0.01 0.00 1.01 0.00 0.00 42.92 43.59 2cp3 s ASP 12 CO 0.63 0.20 0.96 -0.60 0.21 0.00 0.00 175.17 176.57 2cp3 s ARG 13 N -1.11 3.94 0.22 8.23 3.52 -1.26 0.49 118.95 132.96 2cp3 s ARG 13 Ca 0.09 0.75 0.10 0.00 -0.13 0.00 0.00 55.73 56.54 2cp3 s ARG 13 Cb -0.09 -3.77 -0.05 0.00 -1.56 0.00 0.00 34.95 29.48 2cp3 s ARG 13 CO 0.02 -0.90 -0.19 0.14 -0.81 0.00 0.00 175.30 173.55 2cp3 s VAL 14 N 3.49 2.11 -0.28 7.11 -7.23 0.71 -2.14 120.40 124.17 2cp3 s VAL 14 Ca 0.40 -2.16 -0.08 0.00 -1.81 0.00 0.00 61.98 58.33 2cp3 s VAL 14 Cb -0.12 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 2cp3 s VAL 14 CO 0.17 -0.36 0.12 -0.22 -0.31 0.00 0.00 175.10 174.49 2cp3 s LEU 15 N -3.07 3.83 -0.35 1.32 2.96 0.17 -0.89 118.68 122.64 2cp3 s LEU 15 Ca 0.23 -0.40 -0.12 0.00 -0.22 0.00 0.00 54.13 53.61 2cp3 s LEU 15 Cb -0.05 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 2cp3 s LEU 15 CO 0.10 -0.13 0.22 -0.69 -1.32 0.00 0.00 176.35 174.53 2cp3 s VAL 16 N 1.61 4.96 0.00 1.68 1.01 -0.48 -3.28 120.40 125.90 2cp3 s VAL 16 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2cp3 s VAL 16 Cb -0.16 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2cp3 s VAL 16 CO 0.05 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2cp3 n GLY 17 N 5.06 2.97 0.00 4.51 0.00 -1.26 -3.49 105.19 112.98 2cp3 n GLY 17 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.22 1.79 0.16 -0.02 0.00 -1.26 -4.93 105.19 100.71 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 -0.37 0.00 0.00 0.00 173.32 172.95 2cp3 n THR 19 N -0.55 0.00 -2.57 2.61 5.66 -1.26 -5.09 114.28 113.07 2cp3 n THR 19 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 2cp3 n THR 19 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 2cp3 n THR 19 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2cp3 s LYS 20 N -1.21 3.67 -0.14 1.09 1.02 -1.23 -4.96 119.74 117.99 2cp3 s LYS 20 Ca 0.00 0.53 -0.26 0.00 0.02 0.00 0.00 55.97 56.26 2cp3 s LYS 20 Cb 0.00 -3.94 -0.02 0.00 -0.52 0.00 0.00 37.83 33.35 2cp3 s LYS 20 CO 0.00 -1.46 0.85 0.95 -0.92 0.00 0.00 175.35 174.77 2cp3 s THR 21 N 4.65 4.88 0.00 2.17 -4.23 -1.26 -1.38 115.64 120.47 2cp3 s THR 21 Ca 0.48 1.70 -0.06 0.00 -1.18 0.00 0.00 61.69 62.64 2cp3 s THR 21 Cb -0.08 -4.16 -0.00 0.00 1.34 0.00 0.00 72.50 69.60 2cp3 s THR 21 CO 0.31 0.05 0.10 -0.83 -0.54 0.00 0.00 174.62 173.72 2cp3 s GLY 22 N 1.10 0.07 0.10 3.99 0.00 -0.07 -3.86 107.32 108.64 2cp3 s GLY 22 Ca 0.40 -0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.78 2cp3 s GLY 22 CO 0.15 -0.28 0.57 0.14 0.00 0.00 0.00 173.10 173.68 2cp3 s VAL 23 N -1.24 4.76 -0.17 1.40 1.01 -0.90 -0.21 120.40 125.06 2cp3 s VAL 23 Ca -0.13 1.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 2cp3 s VAL 23 Cb -0.07 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2cp3 s VAL 23 CO 0.01 0.47 1.44 -0.69 0.00 0.00 0.00 175.10 176.32 2cp3 s VAL 24 N -1.21 3.97 -0.15 2.92 1.01 0.18 -0.55 120.40 126.56 2cp3 s VAL 24 Ca 0.32 1.15 0.12 0.00 0.00 0.00 0.00 61.98 63.56 2cp3 s VAL 24 Cb -0.18 -3.83 -0.18 0.00 0.00 0.00 0.00 36.38 32.19 2cp3 s VAL 24 CO 0.19 -0.19 0.03 0.54 0.00 0.00 0.00 175.10 175.66 2cp3 n ARG 25 N 7.05 1.42 -4.63 2.72 5.12 -0.45 -1.88 116.66 126.00 2cp3 n ARG 25 Ca 0.16 0.01 -0.22 0.00 -1.93 0.00 0.00 57.85 55.86 2cp3 n ARG 25 Cb 0.45 -1.39 -0.15 0.00 -1.16 0.00 0.00 32.46 30.21 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 -2.37 1.33 -0.27 -1.55 5.04 -0.97 -4.91 117.35 113.66 2cp3 s TYR 26 Ca -0.10 -0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 54.26 2cp3 s TYR 26 Cb 0.05 -0.84 0.14 0.00 0.35 0.00 0.00 41.96 41.65 2cp3 s TYR 26 CO 0.60 -0.01 0.35 0.08 -1.34 0.00 0.00 175.55 175.23 2cp3 s VAL 27 N -0.45 -0.52 -0.15 3.14 1.01 -1.26 -1.51 120.40 120.65 2cp3 s VAL 27 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2cp3 s VAL 27 Cb -0.06 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.41 2cp3 s VAL 27 CO -0.00 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.42 2cp3 n GLY 28 N 5.34 -0.96 3.86 4.51 0.00 -1.16 -5.06 105.19 111.72 2cp3 n GLY 28 Ca -0.02 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.21 2.85 0.47 1.61 2.02 -1.26 -1.52 118.70 122.66 2cp3 s GLU 29 Ca 0.00 -1.17 0.06 0.00 0.02 0.00 0.00 54.97 53.88 2cp3 s GLU 29 Cb 0.00 -2.55 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 2cp3 s GLU 29 CO 0.00 0.21 0.20 0.95 0.02 0.00 0.00 175.26 176.64 2cp3 s THR 30 N -2.22 1.89 -0.07 3.63 -4.23 -1.26 -4.80 115.64 108.57 2cp3 s THR 30 Ca 0.38 -1.71 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2cp3 s THR 30 Cb -0.07 -2.60 -0.07 0.00 1.34 0.00 0.00 72.50 71.10 2cp3 s THR 30 CO 0.26 0.00 -0.01 0.47 -0.54 0.00 0.00 174.62 174.81 2cp3 n ASP 31 N -1.38 3.44 -0.02 3.99 9.92 -1.26 -3.46 116.55 127.77 2cp3 n ASP 31 Ca -0.05 -0.01 -0.15 0.00 -0.53 0.00 0.00 54.79 54.04 2cp3 n ASP 31 Cb 0.65 0.42 -0.10 0.00 -0.64 0.00 0.00 41.12 41.45 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 0.40 0.00 1.24 -5.15 -1.97 -3.36 116.94 108.10 2cp3 h PHE 32 Ca -0.17 -0.19 0.00 0.00 -0.20 0.00 0.00 57.97 57.41 2cp3 h PHE 32 Cb 1.35 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 37.47 2cp3 h PHE 32 CO 0.00 0.96 -1.66 0.00 -2.00 0.00 0.00 178.31 175.61 2cp3 n ALA 33 N -2.52 2.69 -1.43 12.09 0.00 -1.26 -5.11 120.51 124.97 2cp3 n ALA 33 Ca -0.09 -0.39 0.19 0.00 0.00 0.00 0.00 53.44 53.16 2cp3 n ALA 33 Cb 0.52 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 2cp3 n ALA 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cp3 n LYS 34 N -2.01 -2.90 0.00 0.00 5.02 -1.22 -4.92 118.16 112.13 2cp3 n LYS 34 Ca -0.03 1.94 0.00 0.00 -2.02 0.00 0.00 58.31 58.20 2cp3 n LYS 34 Cb 0.41 -3.53 0.00 0.00 -0.02 0.00 0.00 35.03 31.89 2cp3 n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cp3 n GLY 35 N -4.21 1.30 3.25 0.72 0.00 -1.26 -4.55 105.19 100.44 2cp3 n GLY 35 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.39 0.42 1.61 8.01 -1.26 -4.52 118.70 123.34 2cp3 s GLU 36 Ca 0.00 0.78 0.04 0.00 0.01 0.00 0.00 54.97 55.79 2cp3 s GLU 36 Cb 0.00 0.44 -0.04 0.00 -4.31 0.00 0.00 34.13 30.22 2cp3 s GLU 36 CO 0.00 -0.34 0.05 -1.58 0.01 0.00 0.00 175.26 173.41 2cp3 s TRP 37 N 2.82 1.99 -0.02 1.61 0.52 -0.57 -3.46 118.94 121.83 2cp3 s TRP 37 Ca 0.06 -1.00 0.00 0.00 0.02 0.00 0.00 56.10 55.18 2cp3 s TRP 37 Cb -0.11 -1.43 0.02 0.00 -1.15 0.00 0.00 33.47 30.80 2cp3 s TRP 37 CO -0.17 0.06 0.01 0.00 0.02 0.00 0.00 176.95 176.87 2cp3 s GLY 39 N 0.70 1.96 -0.20 0.00 0.00 -0.57 -2.30 107.32 106.91 2cp3 s GLY 39 Ca -0.06 -1.44 -0.08 0.00 0.00 0.00 0.00 44.72 43.13 2cp3 s GLY 39 CO -0.02 0.89 0.09 0.14 0.00 0.00 0.00 173.10 174.20 2cp3 s VAL 40 N 1.81 4.93 -0.49 1.40 1.01 -0.22 -1.34 120.40 127.50 2cp3 s VAL 40 Ca 0.07 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2cp3 s VAL 40 Cb -0.18 -3.25 0.06 0.00 0.00 0.00 0.00 36.38 33.01 2cp3 s VAL 40 CO 0.11 0.42 0.52 -0.70 0.00 0.00 0.00 175.10 175.45 2cp3 s GLU 41 N 0.67 3.07 0.96 2.72 2.12 0.29 -1.11 118.70 127.41 2cp3 s GLU 41 Ca 0.05 -1.04 -0.12 0.00 0.36 0.00 0.00 54.97 54.22 2cp3 s GLU 41 Cb -0.13 -4.10 0.16 0.00 0.26 0.00 0.00 34.13 30.33 2cp3 s GLU 41 CO 0.01 -1.11 1.09 -0.51 -0.54 0.00 0.00 175.26 174.20 2cp3 s LEU 42 N 2.23 1.92 -0.10 2.70 1.43 -0.96 -2.12 118.68 123.79 2cp3 s LEU 42 Ca 0.11 1.41 0.14 0.00 -1.03 0.00 0.00 54.13 54.76 2cp3 s LEU 42 Cb -0.21 -3.70 -0.24 0.00 0.03 0.00 0.00 46.19 42.08 2cp3 s LEU 42 CO 0.10 -2.97 0.44 0.47 0.23 0.00 0.00 176.35 174.62 2cp3 n ASP 43 N -4.09 0.63 -4.73 2.29 8.00 -1.25 -4.90 116.55 112.50 2cp3 n ASP 43 Ca 0.06 0.26 -0.31 0.00 0.71 0.00 0.00 54.79 55.51 2cp3 n ASP 43 Cb 0.56 0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.56 2.79 -0.85 -1.24 0.41 -1.26 -5.01 118.70 110.99 2cp3 s GLU 44 Ca -0.07 -0.69 -0.22 0.00 -0.41 0.00 0.00 54.97 53.58 2cp3 s GLU 44 Cb 0.07 -2.68 -0.19 0.00 -1.78 0.00 0.00 34.13 29.56 2cp3 s GLU 44 CO 0.82 0.58 2.16 -2.30 -0.49 0.00 0.00 175.26 176.04 2cp3 n PRO 45 N 0.80 0.29 -1.36 0.39 -0.02 -1.26 -4.46 135.00 129.38 2cp3 n PRO 45 Ca -0.11 -0.98 0.01 0.00 -2.02 0.00 0.00 63.50 60.40 2cp3 n PRO 45 Cb 0.52 -3.25 -0.00 0.00 -0.02 0.00 0.00 33.50 30.75 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 16.50 0.46 -4.59 2.45 4.77 -1.26 -5.04 117.00 130.29 2cp3 n LEU 46 Ca 0.43 -1.99 -0.31 0.00 -0.03 0.00 0.00 56.01 54.11 2cp3 n LEU 46 Cb 0.42 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2cp3 n LEU 46 CO 0.62 0.77 -0.40 -0.83 -1.33 0.00 0.00 177.39 176.22 2cp3 s GLY 47 N -1.72 1.77 0.18 -0.72 0.00 -1.26 -4.94 107.32 100.64 2cp3 s GLY 47 Ca 0.25 -1.11 0.06 0.00 0.00 0.00 0.00 44.72 43.92 2cp3 s GLY 47 CO -0.12 -1.02 1.42 0.07 0.00 0.00 0.00 173.10 173.44 2cp3 h LYS 48 N 4.13 0.07 0.00 2.90 2.10 -1.91 -3.37 116.57 120.49 2cp3 h LYS 48 Ca -0.48 -0.08 -0.38 0.00 -2.00 0.00 0.00 60.65 57.71 2cp3 h LYS 48 Cb 1.17 0.02 -0.10 0.00 -0.90 0.00 0.00 32.23 32.42 2cp3 h LYS 48 CO 0.53 0.87 -0.37 0.09 -2.00 0.00 0.00 179.45 178.57 2cp3 n ASN 49 N -3.60 -0.49 -2.18 7.07 3.02 -1.17 -4.80 115.26 113.11 2cp3 n ASN 49 Ca -0.02 -2.74 -0.29 0.00 -0.03 0.00 0.00 54.58 51.50 2cp3 n ASN 49 Cb 0.79 1.31 0.04 0.00 -0.61 0.00 0.00 39.78 41.32 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 -1.94 6.12 0.00 6.41 5.68 -1.26 -0.93 116.55 130.63 2cp3 n ASP 50 Ca 0.06 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.58 2cp3 n ASP 50 Cb 0.48 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 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 -0.79 0.46 2.91 6.12 0.00 -1.25 -3.58 105.19 109.06 2cp3 n GLY 51 Ca 0.52 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 0.17 -0.18 4.61 0.00 -1.26 -3.17 121.76 119.92 2cp3 s ALA 52 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.87 2cp3 s ALA 52 Cb 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.11 2cp3 s ALA 52 CO 0.00 0.04 -0.10 0.08 0.00 0.00 0.00 175.76 175.78 2cp3 s VAL 53 N -0.05 1.55 -1.73 0.00 1.01 0.33 -4.73 120.40 116.79 2cp3 s VAL 53 Ca 0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 2cp3 s VAL 53 Cb -0.01 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2cp3 s VAL 53 CO -0.00 0.22 0.17 0.00 0.00 0.00 0.00 175.10 175.49 2cp3 n ALA 54 N 4.73 -0.72 0.00 5.51 0.00 -1.26 -1.44 120.51 127.33 2cp3 n ALA 54 Ca -0.15 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2cp3 n ALA 54 Cb 0.47 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.26 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 3.08 3.57 0.00 0.00 -1.26 -5.01 105.19 104.41 2cp3 n GLY 55 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.88 3.57 -0.42 2.61 2.01 -0.52 -4.96 115.64 115.05 2cp3 s THR 56 Ca 0.00 0.48 -0.09 0.00 0.31 0.00 0.00 61.69 62.39 2cp3 s THR 56 Cb 0.00 -4.08 0.08 0.00 0.01 0.00 0.00 72.50 68.51 2cp3 s THR 56 CO 0.00 -0.90 0.26 -0.60 -0.69 0.00 0.00 174.62 172.69 2cp3 s ARG 57 N 6.04 2.59 0.01 4.92 3.52 -1.26 -0.51 118.95 134.26 2cp3 s ARG 57 Ca 0.64 -1.47 -0.20 0.00 -0.13 0.00 0.00 55.73 54.57 2cp3 s ARG 57 Cb -0.14 -3.78 -0.22 0.00 -1.56 0.00 0.00 34.95 29.25 2cp3 s ARG 57 CO 0.26 -0.96 1.13 1.88 -0.81 0.00 0.00 175.30 176.80 2cp3 h TYR 58 N 8.40 0.60 -3.65 5.12 0.05 -1.92 -3.45 116.97 122.13 2cp3 h TYR 58 Ca -0.23 -0.31 -0.56 0.00 0.05 0.00 0.00 58.73 57.69 2cp3 h TYR 58 Cb 1.08 -0.08 -0.32 0.00 1.01 0.00 0.00 36.73 38.42 2cp3 h TYR 58 CO 0.61 1.11 -0.84 -0.59 -1.05 0.00 0.00 178.16 177.40 2cp3 s PHE 59 N -3.35 1.74 0.17 4.88 -0.71 -1.25 -5.11 117.98 114.34 2cp3 s PHE 59 Ca -0.13 -0.59 -0.31 0.00 -1.04 0.00 0.00 56.93 54.86 2cp3 s PHE 59 Cb 0.04 -1.20 -0.09 0.00 -1.21 0.00 0.00 43.02 40.56 2cp3 s PHE 59 CO 0.82 -0.24 1.42 -1.14 -1.34 0.00 0.00 175.22 174.74 2cp3 s GLN 60 N 0.30 4.30 0.06 1.99 2.00 -1.26 -4.61 119.66 122.44 2cp3 s GLN 60 Ca -0.10 2.17 -0.22 0.00 -2.00 0.00 0.00 55.36 55.21 2cp3 s GLN 60 Cb -0.14 -3.19 0.05 0.00 0.80 0.00 0.00 33.01 30.53 2cp3 s GLN 60 CO 0.04 -0.44 0.52 0.00 -0.50 0.00 0.00 175.29 174.92 2cp3 s PRO 62 N -2.60 2.95 0.16 0.00 0.04 -1.26 -4.82 135.00 129.48 2cp3 s PRO 62 Ca -0.04 1.55 -0.34 0.00 0.04 0.00 0.00 61.00 62.21 2cp3 s PRO 62 Cb -0.01 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 2cp3 s PRO 62 CO -0.03 -1.16 1.45 -2.30 0.04 0.00 0.00 177.00 175.00 2cp3 n PRO 63 N -1.96 1.83 -3.01 0.56 -0.02 -1.26 -3.40 135.00 127.73 2cp3 n PRO 63 Ca 0.11 0.66 -0.03 0.00 -2.02 0.00 0.00 63.50 62.22 2cp3 n PRO 63 Cb 0.51 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.77 -1.64 0.00 -0.52 4.76 -1.25 -4.94 118.16 117.33 2cp3 n LYS 64 Ca 0.16 1.68 0.00 0.00 -2.87 0.00 0.00 58.31 57.28 2cp3 n LYS 64 Cb 0.27 -5.70 0.00 0.00 -1.84 0.00 0.00 35.03 27.76 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 -1.33 -1.94 -2.67 2.13 3.72 -0.79 -4.10 117.46 112.47 2cp3 n PHE 65 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 2cp3 n PHE 65 Cb 0.49 0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 39.42 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 -2.02 2.80 -0.06 1.37 0.00 -0.10 -2.25 107.32 107.05 2cp3 s GLY 66 Ca 0.00 0.57 0.05 0.00 0.00 0.00 0.00 44.72 45.34 2cp3 s GLY 66 CO 0.00 1.76 -0.23 -2.27 0.00 0.00 0.00 173.10 172.36 2cp3 s LEU 67 N 1.11 2.03 -0.43 0.66 2.96 -0.27 -3.05 118.68 121.69 2cp3 s LEU 67 Ca 0.53 -0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 53.81 2cp3 s LEU 67 Cb -0.22 -1.29 0.04 0.00 0.50 0.00 0.00 46.19 45.22 2cp3 s LEU 67 CO 0.27 0.20 0.32 -0.36 -1.32 0.00 0.00 176.35 175.46 2cp3 s PHE 68 N 0.00 3.25 0.05 5.38 0.08 -1.26 -1.06 117.98 124.42 2cp3 s PHE 68 Ca -0.07 -0.83 0.07 0.00 0.12 0.00 0.00 56.93 56.22 2cp3 s PHE 68 Cb -0.14 -2.79 -0.03 0.00 -0.57 0.00 0.00 43.02 39.49 2cp3 s PHE 68 CO 0.05 -0.69 -0.20 0.00 -0.10 0.00 0.00 175.22 174.28 2cp3 s ALA 69 N 1.63 1.68 0.54 5.36 0.00 -0.97 -5.00 121.76 124.99 2cp3 s ALA 69 Ca 0.04 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 2cp3 s ALA 69 Cb -0.21 -0.31 -0.07 0.00 0.00 0.00 0.00 23.12 22.52 2cp3 s ALA 69 CO 0.08 0.37 0.88 -2.30 0.00 0.00 0.00 175.76 174.78 2cp3 n PRO 70 N 1.80 0.95 -0.13 0.00 -0.02 -1.26 -2.07 135.00 134.26 2cp3 n PRO 70 Ca -0.17 0.36 -0.07 0.00 -2.02 0.00 0.00 63.50 61.60 2cp3 n PRO 70 Cb 0.54 -2.02 0.02 0.00 -0.02 0.00 0.00 33.50 32.01 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 0.76 1.03 0.00 4.25 6.09 -1.86 -0.88 117.51 126.91 2cp3 h ILE 71 Ca -0.47 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 2cp3 h ILE 71 Cb 1.36 0.50 0.00 0.00 0.47 0.00 0.00 36.82 39.15 2cp3 h ILE 71 CO 0.52 0.09 0.00 1.12 -3.07 0.00 0.00 178.15 176.81 2cp3 h HIS 72 N 0.49 0.00 -0.64 2.19 2.07 -1.90 -1.68 115.15 115.68 2cp3 h HIS 72 Ca 0.17 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.58 2cp3 h HIS 72 Cb 0.02 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 29.94 2cp3 h HIS 72 CO -0.08 0.00 0.14 1.63 -3.07 0.00 0.00 177.93 176.55 2cp3 n LYS 73 N -2.58 4.22 -4.61 5.12 4.76 -0.34 -4.93 118.16 119.80 2cp3 n LYS 73 Ca -0.00 -3.01 -0.31 0.00 -2.87 0.00 0.00 58.31 52.12 2cp3 n LYS 73 Cb 0.16 -2.22 -0.12 0.00 -1.84 0.00 0.00 35.03 31.01 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 -2.80 3.00 -0.16 -0.18 1.01 -0.63 -4.68 120.40 115.96 2cp3 s VAL 74 Ca 0.53 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2cp3 s VAL 74 Cb 0.41 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.55 2cp3 s VAL 74 CO 0.14 0.35 -0.09 -0.63 0.00 0.00 0.00 175.10 174.87 2cp3 s ILE 75 N -0.94 1.32 0.62 2.22 1.01 -1.20 -5.02 121.20 119.21 2cp3 s ILE 75 Ca 0.15 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 2cp3 s ILE 75 Cb -0.11 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2cp3 s ILE 75 CO 0.06 0.28 1.03 -0.60 0.00 0.00 0.00 174.94 175.71 2cp3 s ARG 76 N 1.57 3.49 -0.00 2.79 3.52 -1.26 0.43 118.95 129.48 2cp3 s ARG 76 Ca 0.02 0.86 -0.04 0.00 -0.13 0.00 0.00 55.73 56.45 2cp3 s ARG 76 Cb -0.14 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 31.16 2cp3 s ARG 76 CO -0.09 -0.66 -0.08 -0.89 -0.81 0.00 0.00 175.30 172.77 2cp3 n ILE 77 N -2.60 0.92 0.00 4.11 5.41 -0.91 -4.80 119.36 121.48 2cp3 n ILE 77 Ca 0.07 0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.99 2cp3 n ILE 77 Cb 0.54 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 2cp3 n ILE 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cp3 n GLY 78 N 2.86 0.80 0.69 7.39 0.00 -1.26 -2.65 105.19 113.02 2cp3 n GLY 78 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.93 1.36 -3.61 1.61 7.64 -1.26 -5.02 113.62 116.27 2cp3 n SER 79 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 2cp3 n SER 79 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 -4.55 -0.08 0.37 0.23 0.00 -1.08 -5.17 107.32 97.03 2cp3 s GLY 80 Ca 0.00 2.54 -0.05 0.00 0.00 0.00 0.00 44.72 47.20 2cp3 s GLY 80 CO 0.00 1.31 0.19 -1.05 0.00 0.00 0.00 173.10 173.54 2cp3 n PRO 81 N 1.04 -1.39 -2.57 2.90 -0.02 -1.26 -4.94 135.00 128.76 2cp3 n PRO 81 Ca -0.08 -0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 60.76 2cp3 n PRO 81 Cb 0.58 -0.51 -0.04 0.00 -0.02 0.00 0.00 33.50 33.51 2cp3 n PRO 81 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2cp3 s SER 82 N -1.93 6.66 0.24 2.55 1.04 -1.26 -5.01 113.70 115.99 2cp3 s SER 82 Ca 0.14 1.50 -0.30 0.00 0.48 0.00 0.00 55.95 57.77 2cp3 s SER 82 Cb -0.03 -2.48 -0.10 0.00 0.10 0.00 0.00 66.02 63.52 2cp3 s SER 82 CO 0.12 -0.51 1.39 -0.55 0.98 0.00 0.00 173.24 174.68 2cp3 s SER 83 N -2.92 6.73 0.00 7.02 0.15 -1.26 -5.31 113.70 118.12 2cp3 s SER 83 Ca 0.58 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.82 2cp3 s SER 83 Cb -0.10 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2cp3 s SER 83 CO 0.28 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.70