#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cp2 h SER 2 N 0.00 -0.49 -0.51 1.61 0.02 -2.06 -3.38 113.55 108.74 2cp2 h SER 2 Ca 0.00 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 2cp2 h SER 2 Cb 0.00 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2cp2 h SER 2 CO 0.00 -0.31 0.24 -0.94 -1.14 0.00 0.00 176.83 174.68 2cp2 s SER 3 N -4.72 4.08 0.00 3.07 1.04 -1.26 -4.37 113.70 111.54 2cp2 s SER 3 Ca -0.16 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2cp2 s SER 3 Cb 0.04 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2cp2 s SER 3 CO 0.62 -3.67 0.00 0.61 0.98 0.00 0.00 173.24 171.78 2cp2 n GLY 4 N 6.74 -0.77 3.59 7.32 0.00 -1.26 -4.26 105.19 116.55 2cp2 n GLY 4 Ca 0.45 0.37 -0.27 0.00 0.00 0.00 0.00 46.02 46.57 2cp2 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cp2 n SER 5 N 0.00 0.06 -4.22 1.61 7.64 -1.26 -4.88 113.62 112.58 2cp2 n SER 5 Ca 0.00 -1.44 -0.22 0.00 1.01 0.00 0.00 58.87 58.21 2cp2 n SER 5 Cb 0.00 -0.95 -0.13 0.00 -1.01 0.00 0.00 64.21 62.12 2cp2 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cp2 s SER 6 N -5.52 2.13 -0.85 6.43 0.15 -1.26 -4.37 113.70 110.41 2cp2 s SER 6 Ca 0.70 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.81 2cp2 s SER 6 Cb -0.02 -0.14 0.30 0.00 -1.71 0.00 0.00 66.02 64.46 2cp2 s SER 6 CO 0.49 0.06 1.28 0.61 1.20 0.00 0.00 173.24 176.89 2cp2 n GLY 7 N 1.59 5.45 4.01 9.45 0.00 -1.15 -5.04 105.19 119.50 2cp2 n GLY 7 Ca -0.19 -2.70 -0.17 0.00 0.00 0.00 0.00 46.02 42.96 2cp2 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cp2 s ALA 8 N -3.28 4.49 -1.73 4.61 0.00 -1.26 -4.22 121.76 120.37 2cp2 s ALA 8 Ca 0.39 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 2cp2 s ALA 8 Cb 0.16 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.64 2cp2 s ALA 8 CO -0.04 -0.27 0.18 0.00 0.00 0.00 0.00 175.76 175.64 2cp2 n ALA 9 N -1.84 -0.73 -3.63 0.00 0.00 -1.26 -4.96 120.51 108.09 2cp2 n ALA 9 Ca 0.07 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.63 2cp2 n ALA 9 Cb 0.59 -2.72 -0.08 0.00 0.00 0.00 0.00 19.45 17.25 2cp2 n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2cp2 s GLU 10 N -5.25 0.69 0.00 0.00 2.56 -1.26 -5.17 118.70 110.28 2cp2 s GLU 10 Ca 0.09 1.09 0.00 0.00 0.00 0.00 0.00 54.97 56.16 2cp2 s GLU 10 Cb -0.04 0.19 -0.00 0.00 2.00 0.00 0.00 34.13 36.27 2cp2 s GLU 10 CO 0.11 -0.14 -0.01 0.14 -0.56 0.00 0.00 175.26 174.80 2cp2 s VAL 11 N 1.25 0.09 0.93 3.70 -7.23 -1.26 -4.56 120.40 113.32 2cp2 s VAL 11 Ca -0.07 -0.18 -0.14 0.00 -1.81 0.00 0.00 61.98 59.78 2cp2 s VAL 11 Cb -0.05 -0.11 0.19 0.00 0.56 0.00 0.00 36.38 36.96 2cp2 s VAL 11 CO -0.13 -0.06 1.28 -0.83 -0.31 0.00 0.00 175.10 175.05 2cp2 s GLY 12 N -0.25 1.77 0.00 2.32 0.00 -0.80 -4.95 107.32 105.41 2cp2 s GLY 12 Ca -0.02 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2cp2 s GLY 12 CO -0.00 -0.50 0.00 1.34 0.00 0.00 0.00 173.10 173.94 2cp2 n ASP 13 N -3.64 0.00 -0.09 1.64 2.03 -0.86 -4.11 116.55 111.52 2cp2 n ASP 13 Ca 0.15 -0.93 -0.12 0.00 0.52 0.00 0.00 54.79 54.40 2cp2 n ASP 13 Cb 0.60 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.92 2cp2 n ASP 13 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2cp2 n ASP 14 N -2.80 2.64 -4.77 1.67 9.92 -1.26 0.63 116.55 122.58 2cp2 n ASP 14 Ca 0.00 -0.09 -0.37 0.00 -0.53 0.00 0.00 54.79 53.80 2cp2 n ASP 14 Cb 0.00 -0.28 -0.07 0.00 -0.64 0.00 0.00 41.12 40.14 2cp2 n ASP 14 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2cp2 s PHE 15 N -2.35 3.52 -0.26 1.24 2.19 -1.26 -4.83 117.98 116.23 2cp2 s PHE 15 Ca -0.23 0.61 -0.20 0.00 0.33 0.00 0.00 56.93 57.43 2cp2 s PHE 15 Cb 0.06 -2.23 -0.02 0.00 -1.31 0.00 0.00 43.02 39.53 2cp2 s PHE 15 CO 0.40 0.41 0.64 -0.51 1.83 0.00 0.00 175.22 177.99 2cp2 s LEU 16 N -0.08 4.08 0.79 6.12 1.43 -1.26 -4.74 118.68 125.01 2cp2 s LEU 16 Ca 0.16 0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 53.78 2cp2 s LEU 16 Cb -0.13 -2.86 0.07 0.00 0.03 0.00 0.00 46.19 43.29 2cp2 s LEU 16 CO 0.05 -0.40 1.18 0.61 0.23 0.00 0.00 176.35 178.02 2cp2 n GLY 17 N 4.20 -0.01 2.78 -3.19 0.00 -1.26 -4.83 105.19 102.88 2cp2 n GLY 17 Ca -0.00 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 2cp2 n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cp2 n ASP 18 N -2.99 4.18 -4.20 1.61 2.03 -1.26 -4.86 116.55 111.05 2cp2 n ASP 18 Ca 0.14 -2.69 -0.34 0.00 0.52 0.00 0.00 54.79 52.42 2cp2 n ASP 18 Cb 0.50 -1.40 -0.15 0.00 -0.72 0.00 0.00 41.12 39.35 2cp2 n ASP 18 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2cp2 s PHE 19 N 3.68 2.85 0.74 -0.67 0.08 -1.26 -5.12 117.98 118.28 2cp2 s PHE 19 Ca 0.53 -1.33 -0.08 0.00 0.12 0.00 0.00 56.93 56.17 2cp2 s PHE 19 Cb 0.14 -1.99 0.07 0.00 -0.57 0.00 0.00 43.02 40.68 2cp2 s PHE 19 CO -0.01 -0.68 1.06 0.14 -0.10 0.00 0.00 175.22 175.63 2cp2 s VAL 20 N 1.33 2.20 -0.46 -0.44 -7.23 -1.26 -5.01 120.40 109.52 2cp2 s VAL 20 Ca 0.05 -0.21 -0.23 0.00 -1.81 0.00 0.00 61.98 59.77 2cp2 s VAL 20 Cb -0.14 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 33.84 2cp2 s VAL 20 CO -0.08 0.00 0.79 -0.69 -0.31 0.00 0.00 175.10 174.81 2cp2 s VAL 21 N -3.34 4.63 0.00 1.32 1.01 -1.26 -4.01 120.40 118.75 2cp2 s VAL 21 Ca 0.61 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2cp2 s VAL 21 Cb -0.10 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2cp2 s VAL 21 CO 0.46 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 175.41 2cp2 n GLY 22 N 5.01 1.71 3.49 4.51 0.00 -0.06 -4.99 105.19 114.85 2cp2 n GLY 22 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2cp2 n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cp2 s GLU 23 N -0.15 1.69 -0.31 1.61 -1.05 -1.26 -4.91 118.70 114.32 2cp2 s GLU 23 Ca 0.00 -1.89 -0.11 0.00 -0.15 0.00 0.00 54.97 52.82 2cp2 s GLU 23 Cb 0.00 -1.34 -0.02 0.00 -0.44 0.00 0.00 34.13 32.33 2cp2 s GLU 23 CO 0.00 0.03 0.20 1.03 0.95 0.00 0.00 175.26 177.46 2cp2 s ARG 24 N -3.71 3.58 0.03 -4.83 1.81 -1.26 -2.22 118.95 112.35 2cp2 s ARG 24 Ca 0.32 -0.57 0.06 0.00 -1.72 0.00 0.00 55.73 53.82 2cp2 s ARG 24 Cb 0.05 -3.69 -0.02 0.00 -0.45 0.00 0.00 34.95 30.84 2cp2 s ARG 24 CO 0.14 -0.36 -0.18 0.14 -0.68 0.00 0.00 175.30 174.37 2cp2 s VAL 25 N 1.70 1.40 -0.34 3.52 -7.23 -0.43 -4.72 120.40 114.29 2cp2 s VAL 25 Ca 0.06 -1.00 -0.22 0.00 -1.81 0.00 0.00 61.98 59.01 2cp2 s VAL 25 Cb -0.17 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.56 2cp2 s VAL 25 CO 0.09 0.19 0.71 0.26 -0.31 0.00 0.00 175.10 176.04 2cp2 s TRP 26 N -0.70 3.16 -0.42 2.82 0.51 0.21 0.10 118.94 124.62 2cp2 s TRP 26 Ca 0.05 0.56 -0.28 0.00 -2.12 0.00 0.00 56.10 54.32 2cp2 s TRP 26 Cb -0.08 -3.21 0.02 0.00 -0.81 0.00 0.00 33.47 29.40 2cp2 s TRP 26 CO 0.01 -0.62 1.04 0.08 -0.51 0.00 0.00 176.95 176.95 2cp2 s VAL 27 N 2.87 4.40 -1.79 4.03 1.01 -1.00 -1.87 120.40 128.05 2cp2 s VAL 27 Ca 0.28 1.22 -0.00 0.00 0.00 0.00 0.00 61.98 63.48 2cp2 s VAL 27 Cb -0.14 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.76 2cp2 s VAL 27 CO 0.14 -0.77 0.03 0.59 0.00 0.00 0.00 175.10 175.09 2cp2 n ASN 28 N 7.29 -5.97 -3.03 3.32 4.13 -1.02 -1.74 115.26 118.24 2cp2 n ASN 28 Ca 0.10 -0.03 -0.22 0.00 1.68 0.00 0.00 54.58 56.10 2cp2 n ASN 28 Cb 0.48 -4.96 0.03 0.00 -1.54 0.00 0.00 39.78 33.79 2cp2 n ASN 28 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cp2 n GLY 29 N -1.04 -0.52 0.19 7.41 0.00 -1.24 -4.91 105.19 105.08 2cp2 n GLY 29 Ca -0.24 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 2cp2 n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2cp2 n VAL 30 N -4.44 0.47 -3.73 1.61 0.31 -0.71 -4.42 118.33 107.42 2cp2 n VAL 30 Ca -0.11 0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 64.44 2cp2 n VAL 30 Cb 0.62 -1.68 -0.08 0.00 -0.91 0.00 0.00 33.84 31.79 2cp2 n VAL 30 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2cp2 s LYS 31 N -1.57 0.79 0.31 5.55 1.02 -1.26 -4.97 119.74 119.62 2cp2 s LYS 31 Ca -0.08 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.30 2cp2 s LYS 31 Cb 0.01 0.35 -0.10 0.00 -0.52 0.00 0.00 37.83 37.57 2cp2 s LYS 31 CO 0.12 -0.25 1.20 -1.25 -0.92 0.00 0.00 175.35 174.25 2cp2 s PRO 32 N -2.03 4.46 0.04 -1.68 0.04 -1.26 -2.37 135.00 132.20 2cp2 s PRO 32 Ca -0.08 1.99 0.02 0.00 0.04 0.00 0.00 61.00 62.97 2cp2 s PRO 32 Cb -0.02 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 2cp2 s PRO 32 CO 0.00 -0.02 -0.08 0.20 0.04 0.00 0.00 177.00 177.15 2cp2 s GLY 33 N -0.73 0.49 -0.33 0.56 0.00 0.28 -4.39 107.32 103.20 2cp2 s GLY 33 Ca 0.48 -0.72 -0.25 0.00 0.00 0.00 0.00 44.72 44.22 2cp2 s GLY 33 CO 0.46 -0.77 0.85 0.14 0.00 0.00 0.00 173.10 173.79 2cp2 s VAL 34 N -1.29 4.70 -0.00 1.40 1.01 0.17 -1.32 120.40 125.07 2cp2 s VAL 34 Ca -0.09 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 2cp2 s VAL 34 Cb -0.09 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2cp2 s VAL 34 CO 0.00 -0.36 1.20 -0.69 0.00 0.00 0.00 175.10 175.25 2cp2 s VAL 35 N 3.17 4.16 -0.05 2.92 1.01 -0.94 0.80 120.40 131.48 2cp2 s VAL 35 Ca 0.35 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.86 2cp2 s VAL 35 Cb -0.13 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2cp2 s VAL 35 CO 0.15 0.06 -0.04 0.00 0.00 0.00 0.00 175.10 175.26 2cp2 n GLN 36 N 4.61 0.13 -4.96 2.72 1.13 -0.98 -0.89 117.38 119.14 2cp2 n GLN 36 Ca 0.10 0.03 -0.31 0.00 -1.94 0.00 0.00 57.00 54.88 2cp2 n GLN 36 Cb 0.46 -1.09 -0.15 0.00 0.11 0.00 0.00 30.24 29.58 2cp2 n GLN 36 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2cp2 s TYR 37 N -2.09 2.39 -0.10 1.08 5.04 -1.21 -4.92 117.35 117.54 2cp2 s TYR 37 Ca -0.06 -0.37 -0.04 0.00 -2.44 0.00 0.00 57.07 54.15 2cp2 s TYR 37 Cb 0.02 -1.45 0.05 0.00 0.35 0.00 0.00 41.96 40.93 2cp2 s TYR 37 CO 0.11 0.11 0.22 -0.51 -1.34 0.00 0.00 175.55 174.14 2cp2 s LEU 38 N -1.09 0.19 0.00 6.97 1.43 -1.26 0.85 118.68 125.78 2cp2 s LEU 38 Ca 0.12 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2cp2 s LEU 38 Cb -0.10 0.59 0.00 0.00 0.03 0.00 0.00 46.19 46.71 2cp2 s LEU 38 CO 0.02 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.01 2cp2 n GLY 39 N 4.70 0.38 3.69 -3.19 0.00 -0.15 -5.01 105.19 105.61 2cp2 n GLY 39 Ca -0.17 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 2cp2 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cp2 s GLU 40 N -2.00 4.17 0.78 1.61 8.01 -1.26 0.10 118.70 130.11 2cp2 s GLU 40 Ca 0.00 -0.03 -0.13 0.00 0.01 0.00 0.00 54.97 54.81 2cp2 s GLU 40 Cb 0.00 -3.49 0.18 0.00 -4.31 0.00 0.00 34.13 26.51 2cp2 s GLU 40 CO 0.00 0.11 1.07 0.25 0.01 0.00 0.00 175.26 176.70 2cp2 n THR 41 N 4.02 0.00 -0.05 3.63 -2.24 -1.26 -4.94 114.28 113.44 2cp2 n THR 41 Ca -0.12 -0.80 -0.05 0.00 -2.27 0.00 0.00 64.05 60.80 2cp2 n THR 41 Cb 0.52 -1.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.08 2cp2 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cp2 n GLN 42 N -3.25 2.07 0.14 -0.78 6.02 -1.26 -4.56 117.38 115.74 2cp2 n GLN 42 Ca 0.13 0.01 0.01 0.00 -0.01 0.00 0.00 57.00 57.14 2cp2 n GLN 42 Cb 0.47 -1.24 0.31 0.00 1.02 0.00 0.00 30.24 30.79 2cp2 n GLN 42 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2cp2 h PHE 43 N 0.00 0.15 -3.16 1.08 -5.15 -1.92 -3.45 116.94 104.49 2cp2 h PHE 43 Ca -0.25 -0.03 -0.13 0.00 -0.20 0.00 0.00 57.97 57.35 2cp2 h PHE 43 Cb 1.54 -0.04 -0.21 0.00 0.22 0.00 0.00 35.95 37.46 2cp2 h PHE 43 CO 0.00 0.47 -0.34 0.00 -2.00 0.00 0.00 178.31 176.44 2cp2 s ALA 44 N -4.25 -0.66 1.00 12.09 0.00 -1.26 -2.92 121.76 125.76 2cp2 s ALA 44 Ca -0.04 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2cp2 s ALA 44 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2cp2 s ALA 44 CO 0.75 -0.23 0.00 -0.35 0.00 0.00 0.00 175.76 175.93 2cp2 n PRO 45 N 1.54 -0.47 -0.66 0.00 -0.04 -1.26 -4.08 135.00 130.02 2cp2 n PRO 45 Ca -0.21 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.34 2cp2 n PRO 45 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 2cp2 n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cp2 n GLY 46 N 2.94 -2.07 3.73 0.55 0.00 -1.26 -1.90 105.19 107.17 2cp2 n GLY 46 Ca 0.00 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2cp2 n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cp2 s GLN 47 N -2.30 4.55 0.12 1.61 -1.52 0.21 -4.26 119.66 118.06 2cp2 s GLN 47 Ca 0.00 1.75 0.03 0.00 -1.95 0.00 0.00 55.36 55.18 2cp2 s GLN 47 Cb 0.00 -3.28 -0.04 0.00 -0.22 0.00 0.00 33.01 29.46 2cp2 s GLN 47 CO 0.00 -0.01 -0.08 -1.58 -0.25 0.00 0.00 175.29 173.37 2cp2 s TRP 48 N 0.01 1.03 -0.21 0.91 0.52 0.28 -2.03 118.94 119.45 2cp2 s TRP 48 Ca 0.51 -0.85 -0.04 0.00 0.02 0.00 0.00 56.10 55.73 2cp2 s TRP 48 Cb -0.30 -0.56 0.08 0.00 -1.15 0.00 0.00 33.47 31.54 2cp2 s TRP 48 CO 0.34 -0.06 0.12 0.00 0.02 0.00 0.00 176.95 177.37 2cp2 s ALA 49 N -3.50 0.37 0.17 0.98 0.00 -0.13 -0.98 121.76 118.67 2cp2 s ALA 49 Ca 0.13 -0.45 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 2cp2 s ALA 49 Cb 0.04 -1.18 -0.08 0.00 0.00 0.00 0.00 23.12 21.90 2cp2 s ALA 49 CO -0.03 -1.32 1.35 0.20 0.00 0.00 0.00 175.76 175.97 2cp2 s GLY 50 N 2.16 2.24 -0.00 0.00 0.00 0.25 -3.39 107.32 108.57 2cp2 s GLY 50 Ca 0.05 1.13 0.02 0.00 0.00 0.00 0.00 44.72 45.91 2cp2 s GLY 50 CO -0.17 2.20 -0.06 0.14 0.00 0.00 0.00 173.10 175.21 2cp2 s VAL 51 N 0.53 0.45 -0.20 1.40 1.01 -0.70 -2.32 120.40 120.56 2cp2 s VAL 51 Ca 0.60 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 2cp2 s VAL 51 Cb -0.37 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2cp2 s VAL 51 CO 0.35 0.13 0.01 -0.69 0.00 0.00 0.00 175.10 174.90 2cp2 s VAL 52 N -0.12 4.12 0.47 2.92 1.01 0.24 -1.36 120.40 127.67 2cp2 s VAL 52 Ca 0.02 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 2cp2 s VAL 52 Cb -0.02 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 2cp2 s VAL 52 CO -0.00 0.43 0.94 -0.76 0.00 0.00 0.00 175.10 175.71 2cp2 s LEU 53 N 0.87 3.75 0.33 3.92 1.43 -0.94 0.43 118.68 128.47 2cp2 s LEU 53 Ca 0.01 1.54 0.09 0.00 -1.03 0.00 0.00 54.13 54.74 2cp2 s LEU 53 Cb -0.14 -4.45 0.57 0.00 0.03 0.00 0.00 46.19 42.20 2cp2 s LEU 53 CO 0.02 -0.49 1.76 -0.78 0.23 0.00 0.00 176.35 177.09 2cp2 h ASP 54 N 1.28 0.16 -3.14 2.29 3.58 -1.93 -3.45 116.42 115.21 2cp2 h ASP 54 Ca -0.47 -0.06 -0.47 0.00 0.42 0.00 0.00 57.03 56.45 2cp2 h ASP 54 Cb 1.18 -0.04 -0.14 0.00 1.72 0.00 0.00 39.33 42.05 2cp2 h ASP 54 CO 0.62 0.53 -0.67 -1.81 -2.88 0.00 0.00 179.24 175.03 2cp2 s ASP 55 N -6.89 2.55 -1.08 2.28 1.11 -1.26 -5.06 116.67 108.32 2cp2 s ASP 55 Ca -0.04 -1.21 -0.24 0.00 0.18 0.00 0.00 52.55 51.24 2cp2 s ASP 55 Cb 0.14 -0.13 -0.10 0.00 1.07 0.00 0.00 42.92 43.90 2cp2 s ASP 55 CO 0.75 -0.40 2.00 -2.16 1.18 0.00 0.00 175.17 176.54 2cp2 s PRO 56 N -3.77 2.24 -0.03 8.23 0.04 -1.26 -4.37 135.00 136.08 2cp2 s PRO 56 Ca 0.30 -0.75 0.10 0.00 0.04 0.00 0.00 61.00 60.69 2cp2 s PRO 56 Cb 0.05 -5.13 0.18 0.00 0.04 0.00 0.00 34.50 29.63 2cp2 s PRO 56 CO 0.11 -4.12 1.09 1.33 0.04 0.00 0.00 177.00 175.46 2cp2 n VAL 57 N 8.08 0.04 0.00 -0.36 0.24 0.69 -4.95 118.33 122.07 2cp2 n VAL 57 Ca 0.43 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2cp2 n VAL 57 Cb 0.46 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 2cp2 n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2cp2 n GLY 58 N 0.03 0.54 2.02 7.63 0.00 0.22 -4.97 105.19 110.66 2cp2 n GLY 58 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2cp2 n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cp2 n LYS 59 N 0.00 0.00 -3.26 1.61 5.02 -1.26 -4.89 118.16 115.38 2cp2 n LYS 59 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 2cp2 n LYS 59 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 2cp2 n LYS 59 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2cp2 n ASN 60 N -3.05 2.30 -1.04 4.39 3.02 -1.06 -4.74 115.26 115.07 2cp2 n ASN 60 Ca 0.00 -2.53 0.01 0.00 -0.03 0.00 0.00 54.58 52.03 2cp2 n ASN 60 Cb 0.00 -0.13 0.14 0.00 -0.61 0.00 0.00 39.78 39.18 2cp2 n ASN 60 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2cp2 n ASP 61 N -2.02 2.05 0.00 6.41 5.68 -1.26 -1.73 116.55 125.68 2cp2 n ASP 61 Ca 0.03 -3.49 0.00 0.00 -0.50 0.00 0.00 54.79 50.82 2cp2 n ASP 61 Cb 0.53 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2cp2 n ASP 61 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cp2 n GLY 62 N -0.77 2.91 3.33 6.12 0.00 -1.26 -4.58 105.19 110.93 2cp2 n GLY 62 Ca 0.20 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2cp2 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cp2 s ALA 63 N -2.37 2.78 -0.29 4.61 0.00 -1.26 -1.83 121.76 123.40 2cp2 s ALA 63 Ca 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.87 2cp2 s ALA 63 Cb 0.00 -1.59 0.09 0.00 0.00 0.00 0.00 23.12 21.61 2cp2 s ALA 63 CO 0.00 -0.27 0.04 0.08 0.00 0.00 0.00 175.76 175.61 2cp2 s VAL 64 N 1.21 1.35 -0.33 0.00 1.01 -0.33 -4.75 120.40 118.56 2cp2 s VAL 64 Ca 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.48 2cp2 s VAL 64 Cb -0.14 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2cp2 s VAL 64 CO -0.02 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 175.21 2cp2 n GLY 65 N 4.67 0.29 0.64 4.51 0.00 -1.26 -3.31 105.19 110.73 2cp2 n GLY 65 Ca -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2cp2 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cp2 n GLY 66 N -1.27 2.99 3.67 -0.02 0.00 -1.26 -4.66 105.19 104.64 2cp2 n GLY 66 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2cp2 n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cp2 s VAL 67 N -2.55 4.52 -0.36 1.61 1.01 -1.21 -5.01 120.40 118.41 2cp2 s VAL 67 Ca 0.00 1.82 -0.10 0.00 0.00 0.00 0.00 61.98 63.70 2cp2 s VAL 67 Cb 0.00 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2cp2 s VAL 67 CO 0.00 -0.10 0.19 -0.60 0.00 0.00 0.00 175.10 174.59 2cp2 s ARG 68 N 2.84 2.86 -0.04 2.72 3.52 -1.26 -1.19 118.95 128.40 2cp2 s ARG 68 Ca 0.50 -1.05 -0.01 0.00 -0.13 0.00 0.00 55.73 55.04 2cp2 s ARG 68 Cb -0.19 -3.67 -0.00 0.00 -1.56 0.00 0.00 34.95 29.52 2cp2 s ARG 68 CO 0.14 -0.66 -0.02 1.88 -0.81 0.00 0.00 175.30 175.82 2cp2 h TYR 69 N 8.40 0.00 -2.66 5.12 -1.99 -1.76 -3.49 116.97 120.59 2cp2 h TYR 69 Ca -0.26 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 59.97 2cp2 h TYR 69 Cb 1.11 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.69 2cp2 h TYR 69 CO 0.58 0.00 -0.72 -0.59 -0.00 0.00 0.00 178.16 177.44 2cp2 s PHE 70 N -1.26 1.91 -0.28 4.88 -0.71 -1.26 -5.00 117.98 116.26 2cp2 s PHE 70 Ca -0.02 -0.57 -0.09 0.00 -1.04 0.00 0.00 56.93 55.21 2cp2 s PHE 70 Cb 0.00 -0.95 -0.03 0.00 -1.21 0.00 0.00 43.02 40.83 2cp2 s PHE 70 CO 0.03 0.40 0.14 -2.00 -1.34 0.00 0.00 175.22 172.44 2cp2 s GLU 71 N -3.65 3.67 0.18 1.99 2.12 -1.26 -4.49 118.70 117.26 2cp2 s GLU 71 Ca 0.26 -0.49 -0.24 0.00 0.36 0.00 0.00 54.97 54.86 2cp2 s GLU 71 Cb 0.00 -3.52 0.05 0.00 0.26 0.00 0.00 34.13 30.93 2cp2 s GLU 71 CO 0.10 -0.25 0.85 0.00 -0.54 0.00 0.00 175.26 175.41 2cp2 n PRO 73 N -0.44 -1.22 -2.53 0.00 -0.02 -1.26 -4.72 135.00 124.81 2cp2 n PRO 73 Ca -0.06 -0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 60.77 2cp2 n PRO 73 Cb 0.61 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 2cp2 n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cp2 s ALA 74 N -2.27 3.14 -1.81 3.55 0.00 -1.26 -3.80 121.76 119.31 2cp2 s ALA 74 Ca 0.55 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2cp2 s ALA 74 Cb -0.14 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2cp2 s ALA 74 CO 0.67 -0.16 0.00 1.28 0.00 0.00 0.00 175.76 177.54 2cp2 n LEU 75 N -1.47 -1.94 0.00 0.00 4.77 -1.15 -4.70 117.00 112.51 2cp2 n LEU 75 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2cp2 n LEU 75 Cb 0.54 -2.95 0.00 0.00 -2.33 0.00 0.00 43.42 38.68 2cp2 n LEU 75 CO 0.46 -0.25 -0.27 0.00 -1.33 0.00 0.00 177.39 176.00 2cp2 n GLN 76 N -2.99 0.00 -1.49 3.23 6.02 -1.01 0.69 117.38 121.83 2cp2 n GLN 76 Ca -0.25 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.41 2cp2 n GLN 76 Cb 0.69 -0.63 -0.08 0.00 1.02 0.00 0.00 30.24 31.25 2cp2 n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cp2 n GLY 77 N 2.49 1.17 3.78 1.08 0.00 -0.70 -2.21 105.19 110.80 2cp2 n GLY 77 Ca 0.00 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 2cp2 n GLY 77 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2cp2 s ILE 78 N 9.69 4.68 -0.08 -0.61 2.07 -0.46 -2.58 121.20 133.91 2cp2 s ILE 78 Ca 0.67 1.41 -0.00 0.00 -1.41 0.00 0.00 60.65 61.32 2cp2 s ILE 78 Cb 0.05 -4.00 -0.03 0.00 0.13 0.00 0.00 42.46 38.61 2cp2 s ILE 78 CO 0.17 0.49 -0.04 -0.36 -1.91 0.00 0.00 174.94 173.29 2cp2 s PHE 79 N -0.75 3.03 0.25 3.50 0.08 -1.26 -1.73 117.98 121.10 2cp2 s PHE 79 Ca 0.33 0.09 -0.21 0.00 0.12 0.00 0.00 56.93 57.25 2cp2 s PHE 79 Cb -0.20 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2cp2 s PHE 79 CO 0.21 0.38 0.69 -0.08 -0.10 0.00 0.00 175.22 176.33 2cp2 s THR 80 N -0.82 0.00 0.40 0.64 -1.32 -1.22 -5.02 115.64 108.30 2cp2 s THR 80 Ca 0.12 -0.79 -0.26 0.00 -1.21 0.00 0.00 61.69 59.56 2cp2 s THR 80 Cb -0.11 -1.79 -0.09 0.00 -1.51 0.00 0.00 72.50 69.00 2cp2 s THR 80 CO 0.02 -0.00 1.20 -0.13 -2.21 0.00 0.00 174.62 173.50 2cp2 s ARG 81 N -3.88 4.06 0.24 7.08 0.52 -1.26 -0.95 118.95 124.75 2cp2 s ARG 81 Ca 0.09 1.93 -0.04 0.00 -0.52 0.00 0.00 55.73 57.19 2cp2 s ARG 81 Cb -0.05 -2.73 0.43 0.00 0.52 0.00 0.00 34.95 33.13 2cp2 s ARG 81 CO 0.03 -0.34 1.77 -1.35 0.02 0.00 0.00 175.30 175.42 2cp2 h PRO 82 N 2.71 0.58 -0.42 3.54 0.11 -1.85 -0.31 132.00 136.36 2cp2 h PRO 82 Ca -0.49 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.60 2cp2 h PRO 82 Cb 1.24 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2cp2 h PRO 82 CO 0.63 0.38 0.28 0.66 -0.21 0.00 0.00 178.00 179.74 2cp2 h SER 83 N 0.60 0.46 0.02 -2.05 4.64 -1.92 -1.14 113.55 114.16 2cp2 h SER 83 Ca 0.41 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 2cp2 h SER 83 Cb 0.52 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2cp2 h SER 83 CO -0.33 0.33 -0.04 0.11 -0.87 0.00 0.00 176.83 176.03 2cp2 h LYS 84 N 0.54 0.07 -7.14 4.77 1.79 -1.42 -3.43 116.57 111.76 2cp2 h LYS 84 Ca 0.16 -0.01 -0.47 0.00 -2.18 0.00 0.00 60.65 58.15 2cp2 h LYS 84 Cb -0.02 -0.01 0.02 0.00 -1.58 0.00 0.00 32.23 30.64 2cp2 h LYS 84 CO -0.04 0.12 0.37 -0.51 -1.08 0.00 0.00 179.45 178.32 2cp2 s LEU 85 N -8.96 3.71 0.11 2.94 1.43 -0.43 -2.42 118.68 115.06 2cp2 s LEU 85 Ca -0.05 1.75 -0.10 0.00 -1.03 0.00 0.00 54.13 54.70 2cp2 s LEU 85 Cb 0.17 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.85 2cp2 s LEU 85 CO 0.69 -0.75 0.25 0.42 0.23 0.00 0.00 176.35 177.18 2cp2 s THR 86 N -2.33 0.11 -0.47 5.49 -4.23 -0.78 -4.89 115.64 108.54 2cp2 s THR 86 Ca 0.63 -1.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.03 2cp2 s THR 86 Cb -0.13 -1.43 0.57 0.00 1.34 0.00 0.00 72.50 72.85 2cp2 s THR 86 CO 0.26 -0.51 1.90 0.54 -0.54 0.00 0.00 174.62 176.27 2cp2 n ARG 87 N -0.12 2.26 -3.63 3.99 1.74 -1.26 0.68 116.66 120.32 2cp2 n ARG 87 Ca -0.13 -2.85 -0.04 0.00 -0.77 0.00 0.00 57.85 54.05 2cp2 n ARG 87 Cb 0.63 -2.12 -0.05 0.00 -1.02 0.00 0.00 32.46 29.90 2cp2 n ARG 87 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2cp2 s GLN 88 N -3.18 0.19 -0.30 5.56 -0.21 -1.26 -4.98 119.66 115.47 2cp2 s GLN 88 Ca 0.55 0.08 -0.29 0.00 0.02 0.00 0.00 55.36 55.72 2cp2 s GLN 88 Cb 0.45 0.09 -0.01 0.00 1.00 0.00 0.00 33.01 34.54 2cp2 s GLN 88 CO 0.07 -0.05 1.54 -1.25 -2.12 0.00 0.00 175.29 173.48 2cp2 s PRO 89 N -0.81 3.68 0.45 2.91 0.04 -1.26 -4.70 135.00 135.32 2cp2 s PRO 89 Ca 0.06 1.36 0.04 0.00 0.04 0.00 0.00 61.00 62.50 2cp2 s PRO 89 Cb -0.02 -4.03 0.04 0.00 0.04 0.00 0.00 34.50 30.53 2cp2 s PRO 89 CO -0.07 -1.43 0.33 -1.13 0.04 0.00 0.00 177.00 174.74 2cp2 n SER 90 N 8.70 2.47 0.00 6.66 3.41 -1.26 -5.02 113.62 128.58 2cp2 n SER 90 Ca 0.18 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 2cp2 n SER 90 Cb 0.46 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2cp2 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cp2 n GLY 91 N -0.48 -0.94 0.18 5.00 0.00 -1.26 -4.66 105.19 103.03 2cp2 n GLY 91 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2cp2 n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cp2 h PRO 92 N 0.00 0.08 -4.58 1.61 0.13 -1.99 -3.44 132.00 123.81 2cp2 h PRO 92 Ca 0.00 -0.04 -0.32 0.00 -0.87 0.00 0.00 66.00 64.77 2cp2 h PRO 92 Cb 0.00 -0.00 -0.25 0.00 0.13 0.00 0.00 31.00 30.88 2cp2 h PRO 92 CO 0.00 0.51 -0.75 -1.54 -0.23 0.00 0.00 178.00 175.99 2cp2 s SER 93 N -6.90 0.89 -0.25 1.44 1.04 -1.26 -5.04 113.70 103.61 2cp2 s SER 93 Ca -0.03 -0.34 0.10 0.00 0.48 0.00 0.00 55.95 56.15 2cp2 s SER 93 Cb 0.14 -0.03 0.45 0.00 0.10 0.00 0.00 66.02 66.68 2cp2 s SER 93 CO 0.75 -0.05 1.31 -1.20 0.98 0.00 0.00 173.24 175.03 2cp2 n SER 94 N 2.16 2.38 -0.20 7.02 7.64 -1.26 -4.89 113.62 126.46 2cp2 n SER 94 Ca -0.18 -3.86 0.03 0.00 1.01 0.00 0.00 58.87 55.87 2cp2 n SER 94 Cb 0.56 -0.56 0.02 0.00 -1.01 0.00 0.00 64.21 63.23 2cp2 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64