#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cp3 n SER 2 N 0.00 1.14 -4.89 1.61 2.88 -1.26 -5.10 113.62 107.99 2cp3 n SER 2 Ca 0.00 -2.09 -0.29 0.00 -1.33 0.00 0.00 58.87 55.17 2cp3 n SER 2 Cb 0.00 -0.34 -0.01 0.00 -0.75 0.00 0.00 64.21 63.12 2cp3 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cp3 s SER 3 N -2.33 6.32 0.00 -3.46 1.04 -1.26 -4.87 113.70 109.14 2cp3 s SER 3 Ca 0.33 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.81 2cp3 s SER 3 Cb 0.38 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 64.20 2cp3 s SER 3 CO -0.15 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2cp3 n GLY 4 N -2.11 0.38 3.50 7.32 0.00 -1.26 -5.16 105.19 107.87 2cp3 n GLY 4 Ca 0.02 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 2.80 -0.14 1.61 0.01 -1.26 -5.16 113.70 111.56 2cp3 s SER 5 Ca 0.00 -1.41 -0.06 0.00 1.31 0.00 0.00 55.95 55.78 2cp3 s SER 5 Cb 0.00 -0.07 0.06 0.00 0.21 0.00 0.00 66.02 66.22 2cp3 s SER 5 CO 0.00 -0.62 0.31 -0.44 0.41 0.00 0.00 173.24 172.91 2cp3 s SER 6 N -3.56 -0.12 0.00 2.44 0.01 -1.26 -5.04 113.70 106.16 2cp3 s SER 6 Ca 0.34 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2cp3 s SER 6 Cb 0.08 0.72 0.00 0.00 0.21 0.00 0.00 66.02 67.03 2cp3 s SER 6 CO 0.15 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2cp3 n GLY 7 N 4.77 -0.48 0.00 3.44 0.00 -1.26 -5.17 105.19 106.49 2cp3 n GLY 7 Ca -0.16 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2cp3 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cp3 n LEU 8 N 0.00 0.00 -4.05 0.99 4.32 -1.26 -5.09 117.00 111.91 2cp3 n LEU 8 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.82 2cp3 n LEU 8 Cb 0.00 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.67 2cp3 n LEU 8 CO 0.00 -0.83 -0.42 0.00 -1.22 0.00 0.00 177.39 174.92 2cp3 s ARG 9 N -2.78 0.64 0.09 3.23 1.70 -1.26 -5.10 118.95 115.48 2cp3 s ARG 9 Ca 0.00 -0.53 -0.31 0.00 -0.47 0.00 0.00 55.73 54.43 2cp3 s ARG 9 Cb 0.00 -0.57 -0.09 0.00 -0.57 0.00 0.00 34.95 33.72 2cp3 s ARG 9 CO 0.00 0.14 1.65 -0.51 -1.08 0.00 0.00 175.30 175.50 2cp3 s LEU 10 N -0.82 4.37 0.00 -1.89 1.43 -1.26 -3.64 118.68 116.86 2cp3 s LEU 10 Ca -0.01 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 2cp3 s LEU 10 Cb -0.06 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2cp3 s LEU 10 CO 0.00 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.31 2cp3 n GLY 11 N 3.96 0.68 2.79 -3.19 0.00 -1.09 -5.07 105.19 103.29 2cp3 n GLY 11 Ca 0.16 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.48 0.05 -0.07 1.61 2.15 -1.24 -4.95 116.67 112.73 2cp3 s ASP 12 Ca 0.00 0.03 -0.30 0.00 0.43 0.00 0.00 52.55 52.72 2cp3 s ASP 12 Cb 0.00 -0.05 -0.04 0.00 -0.30 0.00 0.00 42.92 42.53 2cp3 s ASP 12 CO 0.00 -0.10 1.44 -0.60 -0.17 0.00 0.00 175.17 175.74 2cp3 s ARG 13 N 0.84 4.23 0.34 4.34 3.52 -1.26 -1.64 118.95 129.32 2cp3 s ARG 13 Ca -0.07 1.94 0.05 0.00 -0.13 0.00 0.00 55.73 57.52 2cp3 s ARG 13 Cb -0.10 -3.77 -0.07 0.00 -1.56 0.00 0.00 34.95 29.45 2cp3 s ARG 13 CO -0.02 -0.70 0.04 0.14 -0.81 0.00 0.00 175.30 173.94 2cp3 s VAL 14 N 3.28 1.44 -0.14 7.11 -7.23 0.27 -3.60 120.40 121.53 2cp3 s VAL 14 Ca 0.64 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 2cp3 s VAL 14 Cb -0.29 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 2cp3 s VAL 14 CO 0.24 -0.03 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.73 2cp3 s LEU 15 N -3.54 3.22 -0.41 1.32 2.96 -0.85 -1.62 118.68 119.77 2cp3 s LEU 15 Ca 0.36 -0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 54.09 2cp3 s LEU 15 Cb 0.09 -1.76 0.09 0.00 0.50 0.00 0.00 46.19 45.11 2cp3 s LEU 15 CO 0.16 0.19 0.21 -0.69 -1.32 0.00 0.00 176.35 174.91 2cp3 s VAL 16 N 0.21 3.67 0.00 1.68 1.01 0.09 -2.08 120.40 124.99 2cp3 s VAL 16 Ca -0.03 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.23 2cp3 s VAL 16 Cb -0.14 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2cp3 s VAL 16 CO 0.03 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.17 2cp3 n GLY 17 N 4.74 3.02 0.00 4.51 0.00 -1.26 -3.43 105.19 112.77 2cp3 n GLY 17 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.98 0.77 -0.02 0.00 -1.26 -4.95 105.19 101.26 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 -0.36 0.00 -2.14 2.61 -2.24 -1.26 -5.09 114.28 105.81 2cp3 n THR 19 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 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 -1.72 3.13 0.00 -0.78 1.02 -1.22 -4.90 119.74 115.28 2cp3 s LYS 20 Ca 0.00 0.90 -0.24 0.00 0.02 0.00 0.00 55.97 56.65 2cp3 s LYS 20 Cb 0.00 -4.22 -0.05 0.00 -0.52 0.00 0.00 37.83 33.04 2cp3 s LYS 20 CO 0.00 -2.12 0.72 0.95 -0.92 0.00 0.00 175.35 173.99 2cp3 s THR 21 N 7.23 4.87 -0.04 2.17 -4.23 -1.26 -0.73 115.64 123.65 2cp3 s THR 21 Ca 0.68 1.52 -0.28 0.00 -1.18 0.00 0.00 61.69 62.42 2cp3 s THR 21 Cb -0.16 -4.07 0.06 0.00 1.34 0.00 0.00 72.50 69.68 2cp3 s THR 21 CO 0.28 0.33 0.62 -0.83 -0.54 0.00 0.00 174.62 174.48 2cp3 s GLY 22 N 0.22 -0.52 0.02 3.99 0.00 -0.64 -2.27 107.32 108.12 2cp3 s GLY 22 Ca 0.37 1.13 -0.20 0.00 0.00 0.00 0.00 44.72 46.03 2cp3 s GLY 22 CO 0.21 0.79 0.57 0.14 0.00 0.00 0.00 173.10 174.81 2cp3 s VAL 23 N -1.33 4.87 0.07 1.40 1.01 -0.40 -0.57 120.40 125.46 2cp3 s VAL 23 Ca -0.11 1.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.77 2cp3 s VAL 23 Cb -0.01 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 2cp3 s VAL 23 CO 0.08 0.47 1.51 -0.69 0.00 0.00 0.00 175.10 176.47 2cp3 s VAL 24 N -0.50 3.23 -0.08 2.92 1.01 -0.65 0.52 120.40 126.84 2cp3 s VAL 24 Ca 0.30 0.75 0.10 0.00 0.00 0.00 0.00 61.98 63.12 2cp3 s VAL 24 Cb -0.18 -3.48 -0.14 0.00 0.00 0.00 0.00 36.38 32.57 2cp3 s VAL 24 CO 0.17 0.02 0.09 0.54 0.00 0.00 0.00 175.10 175.92 2cp3 n ARG 25 N 4.96 1.77 -4.27 2.72 5.12 0.20 -2.66 116.66 124.50 2cp3 n ARG 25 Ca 0.14 -0.03 -0.19 0.00 -1.93 0.00 0.00 57.85 55.84 2cp3 n ARG 25 Cb 0.41 -1.27 -0.13 0.00 -1.16 0.00 0.00 32.46 30.32 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 -2.40 1.16 -0.26 -1.55 5.04 -1.00 -4.94 117.35 113.41 2cp3 s TYR 26 Ca -0.05 -0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 54.18 2cp3 s TYR 26 Cb 0.04 -0.68 0.13 0.00 0.35 0.00 0.00 41.96 41.81 2cp3 s TYR 26 CO 0.44 0.03 0.32 0.08 -1.34 0.00 0.00 175.55 175.08 2cp3 s VAL 27 N -1.00 -0.48 -4.90 3.14 1.01 -1.26 -2.53 120.40 114.38 2cp3 s VAL 27 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2cp3 s VAL 27 Cb -0.08 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2cp3 s VAL 27 CO 0.01 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.43 2cp3 n GLY 28 N 5.33 -0.50 3.99 4.51 0.00 -1.14 -5.06 105.19 112.33 2cp3 n GLY 28 Ca -0.03 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.96 2.62 0.49 1.61 8.01 -1.26 -0.81 118.70 127.40 2cp3 s GLU 29 Ca 0.00 -1.03 0.02 0.00 0.01 0.00 0.00 54.97 53.96 2cp3 s GLU 29 Cb 0.00 -2.61 -0.01 0.00 -4.31 0.00 0.00 34.13 27.20 2cp3 s GLU 29 CO 0.00 -0.56 0.05 0.95 0.01 0.00 0.00 175.26 175.72 2cp3 s THR 30 N -2.59 0.87 -0.15 3.63 -4.23 -1.25 -4.84 115.64 107.08 2cp3 s THR 30 Ca 0.57 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.17 2cp3 s THR 30 Cb -0.10 -2.15 -0.16 0.00 1.34 0.00 0.00 72.50 71.43 2cp3 s THR 30 CO 0.36 0.00 -0.01 0.47 -0.54 0.00 0.00 174.62 174.90 2cp3 n ASP 31 N -1.34 1.78 0.07 3.99 9.92 -1.26 -4.58 116.55 125.13 2cp3 n ASP 31 Ca -0.15 -0.03 -0.21 0.00 -0.53 0.00 0.00 54.79 53.86 2cp3 n ASP 31 Cb 0.66 0.54 -0.12 0.00 -0.64 0.00 0.00 41.12 41.56 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 0.99 -4.20 1.24 -5.15 -1.97 -3.45 116.94 104.39 2cp3 h PHE 32 Ca -0.39 -0.60 -0.62 0.00 -0.20 0.00 0.00 57.97 56.16 2cp3 h PHE 32 Cb 1.81 -0.09 -0.26 0.00 0.22 0.00 0.00 35.95 37.63 2cp3 h PHE 32 CO 0.01 1.44 -0.85 0.00 -2.00 0.00 0.00 178.31 176.90 2cp3 s ALA 33 N -3.06 1.92 1.01 12.09 0.00 -1.26 -5.15 121.76 127.31 2cp3 s ALA 33 Ca -0.10 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 2cp3 s ALA 33 Cb 0.06 -0.38 0.08 0.00 0.00 0.00 0.00 23.12 22.87 2cp3 s ALA 33 CO 0.92 0.44 0.45 1.17 0.00 0.00 0.00 175.76 178.74 2cp3 n LYS 34 N 1.79 -0.62 0.00 0.00 3.00 -1.26 -3.85 118.16 117.22 2cp3 n LYS 34 Ca -0.17 -0.70 0.00 0.00 -0.00 0.00 0.00 58.31 57.44 2cp3 n LYS 34 Cb 0.53 -0.49 0.00 0.00 0.00 0.00 0.00 35.03 35.07 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 1.73 0.56 3.16 3.14 0.00 -1.26 -4.80 105.19 107.72 2cp3 n GLY 35 Ca 0.06 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 1.66 0.04 1.61 2.56 -1.26 -4.41 118.70 118.89 2cp3 s GLU 36 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 54.97 54.36 2cp3 s GLU 36 Cb 0.00 -1.51 -0.02 0.00 2.00 0.00 0.00 34.13 34.60 2cp3 s GLU 36 CO 0.00 0.31 -0.08 -1.58 -0.56 0.00 0.00 175.26 173.36 2cp3 s TRP 37 N -0.18 0.67 -0.11 5.30 0.52 0.01 -2.12 118.94 123.03 2cp3 s TRP 37 Ca 0.01 -0.46 0.00 0.00 0.02 0.00 0.00 56.10 55.68 2cp3 s TRP 37 Cb -0.10 -0.40 0.02 0.00 -1.15 0.00 0.00 33.47 31.85 2cp3 s TRP 37 CO 0.01 -0.07 -0.09 0.00 0.02 0.00 0.00 176.95 176.81 2cp3 s GLY 39 N 1.53 1.21 -0.10 0.00 0.00 -1.05 -2.75 107.32 106.16 2cp3 s GLY 39 Ca 0.02 -1.20 -0.14 0.00 0.00 0.00 0.00 44.72 43.41 2cp3 s GLY 39 CO -0.07 2.32 0.33 0.14 0.00 0.00 0.00 173.10 175.82 2cp3 s VAL 40 N 4.64 5.23 -0.51 1.40 1.01 -0.64 0.61 120.40 132.13 2cp3 s VAL 40 Ca 0.34 0.65 -0.14 0.00 0.00 0.00 0.00 61.98 62.83 2cp3 s VAL 40 Cb -0.10 -3.65 0.13 0.00 0.00 0.00 0.00 36.38 32.75 2cp3 s VAL 40 CO 0.19 0.48 0.44 -0.70 0.00 0.00 0.00 175.10 175.52 2cp3 s GLU 41 N -0.24 2.81 0.98 2.72 2.12 0.18 -0.15 118.70 127.12 2cp3 s GLU 41 Ca 0.20 -1.72 -0.11 0.00 0.36 0.00 0.00 54.97 53.70 2cp3 s GLU 41 Cb -0.14 -4.17 0.18 0.00 0.26 0.00 0.00 34.13 30.27 2cp3 s GLU 41 CO 0.08 -1.28 1.11 -0.51 -0.54 0.00 0.00 175.26 174.12 2cp3 s LEU 42 N 1.52 2.22 -0.09 2.70 1.43 -0.20 -1.27 118.68 124.99 2cp3 s LEU 42 Ca 0.04 1.95 0.06 0.00 -1.03 0.00 0.00 54.13 55.15 2cp3 s LEU 42 Cb -0.29 -4.20 -0.24 0.00 0.03 0.00 0.00 46.19 41.49 2cp3 s LEU 42 CO 0.02 -3.39 0.48 0.47 0.23 0.00 0.00 176.35 174.16 2cp3 n ASP 43 N -4.41 1.30 -4.78 2.29 9.92 -0.96 -4.83 116.55 115.08 2cp3 n ASP 43 Ca 0.09 0.29 -0.31 0.00 -0.53 0.00 0.00 54.79 54.33 2cp3 n ASP 43 Cb 0.53 -0.29 -0.07 0.00 -0.64 0.00 0.00 41.12 40.66 2cp3 n ASP 43 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2cp3 s GLU 44 N -2.57 2.92 -0.86 -1.24 2.02 -1.26 -5.00 118.70 112.71 2cp3 s GLU 44 Ca -0.12 -0.65 -0.20 0.00 0.02 0.00 0.00 54.97 54.02 2cp3 s GLU 44 Cb 0.07 -2.75 -0.21 0.00 0.10 0.00 0.00 34.13 31.34 2cp3 s GLU 44 CO 0.80 0.58 2.29 -2.30 0.02 0.00 0.00 175.26 176.64 2cp3 n PRO 45 N 0.57 0.34 -1.24 0.39 -0.02 -1.26 -4.49 135.00 129.28 2cp3 n PRO 45 Ca -0.09 -0.58 -0.01 0.00 -2.02 0.00 0.00 63.50 60.80 2cp3 n PRO 45 Cb 0.52 -2.73 -0.02 0.00 -0.02 0.00 0.00 33.50 31.24 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 14.01 0.11 -4.88 2.45 4.77 -1.23 -5.05 117.00 127.18 2cp3 n LEU 46 Ca 0.53 -1.96 -0.23 0.00 -0.03 0.00 0.00 56.01 54.33 2cp3 n LEU 46 Cb 0.33 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2cp3 n LEU 46 CO 0.73 0.93 0.02 -0.83 -1.33 0.00 0.00 177.39 176.91 2cp3 s GLY 47 N -1.51 2.21 -0.09 -0.72 0.00 -1.22 -4.93 107.32 101.06 2cp3 s GLY 47 Ca 0.18 -1.74 0.04 0.00 0.00 0.00 0.00 44.72 43.20 2cp3 s GLY 47 CO -0.09 -1.80 -0.03 0.58 0.00 0.00 0.00 173.10 171.77 2cp3 n LYS 48 N -1.62 1.59 -4.34 2.90 2.85 -1.23 -4.62 118.16 113.70 2cp3 n LYS 48 Ca 0.02 0.02 -0.17 0.00 -1.05 0.00 0.00 58.31 57.13 2cp3 n LYS 48 Cb 0.63 -1.21 -0.10 0.00 -0.65 0.00 0.00 35.03 33.70 2cp3 n LYS 48 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2cp3 s ASN 49 N -4.45 1.38 -0.58 -5.58 0.01 -1.20 -4.71 114.94 99.80 2cp3 s ASN 49 Ca -0.08 -1.40 0.00 0.00 -0.71 0.00 0.00 52.86 50.67 2cp3 s ASN 49 Cb 0.03 0.15 0.53 0.00 0.41 0.00 0.00 41.25 42.37 2cp3 s ASN 49 CO 0.29 -0.73 1.99 -0.90 -1.51 0.00 0.00 177.10 176.24 2cp3 n ASP 50 N -0.53 6.22 -0.06 -1.22 5.75 -1.26 -2.58 116.55 122.86 2cp3 n ASP 50 Ca -0.00 -3.71 -0.01 0.00 -0.01 0.00 0.00 54.79 51.06 2cp3 n ASP 50 Cb 0.66 -0.93 -0.00 0.00 -1.03 0.00 0.00 41.12 39.82 2cp3 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cp3 n GLY 51 N -0.99 0.36 2.83 6.12 0.00 -1.26 -3.97 105.19 108.27 2cp3 n GLY 51 Ca 0.61 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.03 -0.06 0.01 4.61 0.00 -1.26 -2.18 121.76 120.86 2cp3 s ALA 52 Ca 0.00 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.46 2cp3 s ALA 52 Cb 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 2cp3 s ALA 52 CO 0.00 -0.19 -0.12 0.08 0.00 0.00 0.00 175.76 175.53 2cp3 s VAL 53 N 1.30 0.90 -1.69 0.00 1.01 -0.03 -4.77 120.40 117.12 2cp3 s VAL 53 Ca -0.07 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2cp3 s VAL 53 Cb -0.12 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2cp3 s VAL 53 CO -0.04 0.09 0.11 0.00 0.00 0.00 0.00 175.10 175.26 2cp3 n ALA 54 N 2.35 -0.66 -2.13 5.51 0.00 -1.26 -1.68 120.51 122.65 2cp3 n ALA 54 Ca -0.16 0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 2cp3 n ALA 54 Cb 0.56 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 0.07 2.66 0.00 0.00 -1.26 -5.02 105.19 100.53 2cp3 n GLY 55 Ca -0.22 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.38 -0.11 -0.15 2.61 2.01 -0.67 -5.14 115.64 111.81 2cp3 s THR 56 Ca 0.00 0.34 -0.06 0.00 0.31 0.00 0.00 61.69 62.27 2cp3 s THR 56 Cb 0.00 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 2cp3 s THR 56 CO 0.00 0.11 0.07 -0.60 -0.69 0.00 0.00 174.62 173.51 2cp3 s ARG 57 N 2.17 3.66 -0.24 4.92 3.52 -1.26 -0.85 118.95 130.86 2cp3 s ARG 57 Ca 0.05 -0.29 -0.09 0.00 -0.13 0.00 0.00 55.73 55.26 2cp3 s ARG 57 Cb -0.13 -3.14 -0.17 0.00 -1.56 0.00 0.00 34.95 29.96 2cp3 s ARG 57 CO -0.04 0.49 -0.12 0.66 -0.81 0.00 0.00 175.30 175.48 2cp3 n TYR 58 N 2.85 0.35 -4.39 5.12 4.02 -0.93 -4.95 117.16 119.23 2cp3 n TYR 58 Ca -0.18 0.11 -0.23 0.00 -0.01 0.00 0.00 57.90 57.59 2cp3 n TYR 58 Cb 0.53 -1.04 -0.17 0.00 -0.02 0.00 0.00 39.34 38.65 2cp3 n TYR 58 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 2cp3 s PHE 59 N -2.50 1.25 0.24 -0.72 -0.71 -1.25 -5.12 117.98 109.16 2cp3 s PHE 59 Ca -0.34 -0.46 -0.31 0.00 -1.04 0.00 0.00 56.93 54.79 2cp3 s PHE 59 Cb 0.10 -0.96 -0.11 0.00 -1.21 0.00 0.00 43.02 40.83 2cp3 s PHE 59 CO 0.58 -0.27 1.65 -1.14 -1.34 0.00 0.00 175.22 174.70 2cp3 s GLN 60 N 0.84 4.14 -0.00 1.99 2.00 -1.26 -4.63 119.66 122.74 2cp3 s GLN 60 Ca -0.12 2.56 -0.28 0.00 -2.00 0.00 0.00 55.36 55.52 2cp3 s GLN 60 Cb -0.15 -3.07 0.09 0.00 0.80 0.00 0.00 33.01 30.69 2cp3 s GLN 60 CO 0.02 -0.68 0.81 0.00 -0.50 0.00 0.00 175.29 174.93 2cp3 s PRO 62 N -2.55 1.77 0.32 0.00 0.04 -1.26 -4.80 135.00 128.51 2cp3 s PRO 62 Ca 0.00 1.11 -0.28 0.00 0.04 0.00 0.00 61.00 61.87 2cp3 s PRO 62 Cb -0.01 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 2cp3 s PRO 62 CO -0.05 -1.97 1.18 -1.25 0.04 0.00 0.00 177.00 174.96 2cp3 s PRO 63 N -4.87 4.43 -1.07 0.56 0.04 -1.26 -3.61 135.00 129.22 2cp3 s PRO 63 Ca 0.63 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.61 2cp3 s PRO 63 Cb -0.18 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2cp3 s PRO 63 CO 0.57 -0.03 0.90 1.63 0.04 0.00 0.00 177.00 180.10 2cp3 n LYS 64 N 0.83 -5.95 0.00 4.56 4.76 -1.26 -4.90 118.16 116.20 2cp3 n LYS 64 Ca 0.00 0.74 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 2cp3 n LYS 64 Cb 0.44 -5.45 0.00 0.00 -1.84 0.00 0.00 35.03 28.18 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 -3.86 0.00 -3.06 2.13 3.72 -1.24 -3.43 117.46 111.72 2cp3 n PHE 65 Ca -0.22 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.81 2cp3 n PHE 65 Cb 0.64 0.33 -0.06 0.00 -0.94 0.00 0.00 39.48 39.44 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 -4.40 2.73 -0.04 1.37 0.00 -1.07 -1.03 107.32 104.88 2cp3 s GLY 66 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.94 2cp3 s GLY 66 CO 0.00 0.65 0.05 -2.27 0.00 0.00 0.00 173.10 171.52 2cp3 s LEU 67 N -1.63 0.31 0.05 0.66 2.96 0.78 -3.25 118.68 118.56 2cp3 s LEU 67 Ca 0.40 0.04 -0.26 0.00 -0.22 0.00 0.00 54.13 54.09 2cp3 s LEU 67 Cb -0.19 -0.19 -0.05 0.00 0.50 0.00 0.00 46.19 46.25 2cp3 s LEU 67 CO 0.23 -0.23 0.80 -0.36 -1.32 0.00 0.00 176.35 175.47 2cp3 s PHE 68 N 2.03 3.74 -0.05 5.38 0.08 -1.26 -1.63 117.98 126.28 2cp3 s PHE 68 Ca 0.04 1.52 -0.24 0.00 0.12 0.00 0.00 56.93 58.38 2cp3 s PHE 68 Cb -0.12 -2.86 0.05 0.00 -0.57 0.00 0.00 43.02 39.52 2cp3 s PHE 68 CO -0.03 0.26 0.53 0.00 -0.10 0.00 0.00 175.22 175.87 2cp3 s ALA 69 N -0.02 -1.36 0.57 5.36 0.00 -1.11 -5.00 121.76 120.21 2cp3 s ALA 69 Ca 0.40 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 53.14 2cp3 s ALA 69 Cb -0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 2cp3 s ALA 69 CO 0.24 -0.32 0.88 -2.30 0.00 0.00 0.00 175.76 174.26 2cp3 n PRO 70 N 1.26 0.88 -0.12 0.00 -0.02 -1.26 -0.19 135.00 135.55 2cp3 n PRO 70 Ca -0.19 0.34 -0.08 0.00 -2.02 0.00 0.00 63.50 61.54 2cp3 n PRO 70 Cb 0.57 -2.05 -0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.59 1.10 0.00 4.25 2.10 -1.73 -1.34 117.51 122.48 2cp3 h ILE 71 Ca -0.47 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.29 2cp3 h ILE 71 Cb 1.37 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.64 2cp3 h ILE 71 CO 0.51 0.09 0.00 1.12 -1.08 0.00 0.00 178.15 178.79 2cp3 h HIS 72 N 0.51 0.00 -0.58 2.19 2.07 -1.91 -1.46 115.15 115.97 2cp3 h HIS 72 Ca 0.14 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.53 2cp3 h HIS 72 Cb -0.06 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.85 2cp3 h HIS 72 CO -0.05 0.00 0.16 1.63 -3.07 0.00 0.00 177.93 176.60 2cp3 n LYS 73 N -2.67 3.65 -5.13 5.12 4.76 -0.51 -4.88 118.16 118.50 2cp3 n LYS 73 Ca -0.01 -2.61 -0.31 0.00 -2.87 0.00 0.00 58.31 52.52 2cp3 n LYS 73 Cb 0.14 -2.10 -0.17 0.00 -1.84 0.00 0.00 35.03 31.06 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 -2.56 1.90 0.22 -0.18 1.01 -0.55 -4.56 120.40 115.69 2cp3 s VAL 74 Ca 0.46 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2cp3 s VAL 74 Cb 0.36 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2cp3 s VAL 74 CO 0.12 0.53 0.37 -0.63 0.00 0.00 0.00 175.10 175.49 2cp3 s ILE 75 N 0.27 5.25 -0.30 2.22 -1.09 -0.88 -4.97 121.20 121.69 2cp3 s ILE 75 Ca -0.15 -0.72 -0.07 0.00 -2.23 0.00 0.00 60.65 57.48 2cp3 s ILE 75 Cb -0.17 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 36.92 2cp3 s ILE 75 CO 0.07 -0.27 0.08 -0.60 -1.23 0.00 0.00 174.94 172.99 2cp3 s ARG 76 N -3.71 3.08 -0.51 2.79 3.52 -1.26 -2.00 118.95 120.85 2cp3 s ARG 76 Ca 0.36 -0.87 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 2cp3 s ARG 76 Cb -0.10 -3.38 0.44 0.00 -1.56 0.00 0.00 34.95 30.35 2cp3 s ARG 76 CO 0.30 -0.45 1.60 0.44 -0.81 0.00 0.00 175.30 176.38 2cp3 n ILE 77 N 4.87 3.06 0.00 4.11 -5.35 -1.24 -4.94 119.36 119.87 2cp3 n ILE 77 Ca -0.14 -3.80 0.00 0.00 -0.27 0.00 0.00 62.75 58.54 2cp3 n ILE 77 Cb 0.48 -1.17 0.00 0.00 -1.74 0.00 0.00 39.64 37.21 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 -0.75 3.49 2.78 3.28 0.00 -1.26 -4.92 105.19 107.81 2cp3 n GLY 78 Ca 0.52 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 2cp3 n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cp3 s SER 79 N 0.00 1.00 -0.54 1.61 1.04 -1.26 -4.93 113.70 110.61 2cp3 s SER 79 Ca 0.00 0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.65 2cp3 s SER 79 Cb 0.00 0.16 0.36 0.00 0.10 0.00 0.00 66.02 66.64 2cp3 s SER 79 CO 0.00 -0.26 0.98 0.61 0.98 0.00 0.00 173.24 175.55 2cp3 n GLY 80 N 5.32 5.66 3.59 7.32 0.00 -1.26 -5.08 105.19 120.73 2cp3 n GLY 80 Ca -0.04 -2.76 -0.30 0.00 0.00 0.00 0.00 46.02 42.91 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 -3.47 -1.53 -0.20 1.61 0.04 -1.26 -4.79 135.00 125.40 2cp3 s PRO 81 Ca 0.48 -0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.20 2cp3 s PRO 81 Cb 0.31 -1.57 0.04 0.00 0.04 0.00 0.00 34.50 33.32 2cp3 s PRO 81 CO -0.15 -3.88 0.22 0.43 0.04 0.00 0.00 177.00 173.66 2cp3 n SER 82 N -4.85 -1.11 0.01 6.66 7.64 -1.26 -5.05 113.62 115.66 2cp3 n SER 82 Ca 0.15 1.32 -0.01 0.00 1.01 0.00 0.00 58.87 61.35 2cp3 n SER 82 Cb 0.60 -5.18 -0.00 0.00 -1.01 0.00 0.00 64.21 58.62 2cp3 n SER 82 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cp3 n SER 83 N 1.56 0.37 -0.66 6.43 2.88 -1.26 -5.30 113.62 117.63 2cp3 n SER 83 Ca -0.38 0.05 0.13 0.00 -1.33 0.00 0.00 58.87 57.35 2cp3 n SER 83 Cb 0.58 -0.19 0.37 0.00 -0.75 0.00 0.00 64.21 64.22 2cp3 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42