#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 s SER 2 N 0.00 5.11 0.15 1.61 0.01 -1.26 -4.90 113.70 114.43 2cr5 s SER 2 Ca 0.00 2.30 -0.21 0.00 1.31 0.00 0.00 55.95 59.35 2cr5 s SER 2 Cb 0.00 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.69 2cr5 s SER 2 CO 0.00 -1.64 1.26 -0.24 0.41 0.00 0.00 173.24 173.03 2cr5 n SER 3 N -1.82 -0.73 -3.89 2.44 2.88 -1.26 -4.71 113.62 106.53 2cr5 n SER 3 Ca 0.13 1.44 -0.11 0.00 -1.33 0.00 0.00 58.87 59.00 2cr5 n SER 3 Cb 0.50 -0.24 -0.06 0.00 -0.75 0.00 0.00 64.21 63.66 2cr5 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr5 s GLY 4 N -2.97 0.92 -0.24 0.46 0.00 -1.26 -5.06 107.32 99.18 2cr5 s GLY 4 Ca -0.10 -1.19 0.10 0.00 0.00 0.00 0.00 44.72 43.53 2cr5 s GLY 4 CO 0.54 -0.87 1.28 -1.14 0.00 0.00 0.00 173.10 172.91 2cr5 n SER 5 N -0.56 2.09 -3.56 1.64 3.41 -1.26 -4.96 113.62 110.42 2cr5 n SER 5 Ca -0.00 -3.87 -0.01 0.00 -0.26 0.00 0.00 58.87 54.72 2cr5 n SER 5 Cb 0.63 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 2cr5 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cr5 s SER 6 N -3.08 -0.83 0.00 4.04 1.04 -1.26 -4.97 113.70 108.64 2cr5 s SER 6 Ca 0.40 1.19 0.00 0.00 0.48 0.00 0.00 55.95 58.02 2cr5 s SER 6 Cb 0.38 1.81 0.00 0.00 0.10 0.00 0.00 66.02 68.31 2cr5 s SER 6 CO -0.05 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2cr5 n GLY 7 N 4.89 0.04 0.29 7.32 0.00 -1.26 -4.98 105.19 111.50 2cr5 n GLY 7 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 2cr5 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cr5 n GLU 8 N 0.00 0.26 -3.02 1.61 4.07 -1.26 -5.00 120.64 117.30 2cr5 n GLU 8 Ca 0.00 -0.92 -0.40 0.00 -0.06 0.00 0.00 57.16 55.79 2cr5 n GLU 8 Cb 0.00 -1.13 -0.05 0.00 -0.06 0.00 0.00 31.44 30.19 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2cr5 s VAL 9 N -0.68 4.68 1.04 6.31 0.11 -1.26 -5.06 120.40 125.54 2cr5 s VAL 9 Ca 0.09 1.58 -0.14 0.00 -2.93 0.00 0.00 61.98 60.58 2cr5 s VAL 9 Cb 0.06 -4.09 0.21 0.00 -1.53 0.00 0.00 36.38 31.04 2cr5 s VAL 9 CO 0.10 0.41 1.10 -2.16 -3.33 0.00 0.00 175.10 171.22 2cr5 s PRO 10 N -0.34 0.07 0.34 1.54 0.04 -1.26 -5.08 135.00 130.31 2cr5 s PRO 10 Ca 0.37 0.39 0.09 0.00 0.04 0.00 0.00 61.00 61.89 2cr5 s PRO 10 Cb -0.21 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2cr5 s PRO 10 CO 0.23 -2.94 -0.04 0.16 0.04 0.00 0.00 177.00 174.44 2cr5 s ASP 11 N -3.53 3.98 0.34 6.66 1.47 -1.26 -5.12 116.67 119.20 2cr5 s ASP 11 Ca 0.66 -1.06 -0.26 0.00 1.18 0.00 0.00 52.55 53.07 2cr5 s ASP 11 Cb -0.17 -0.46 -0.09 0.00 -0.34 0.00 0.00 42.92 41.86 2cr5 s ASP 11 CO 0.57 -0.20 1.02 -0.76 0.68 0.00 0.00 175.17 176.48 2cr5 s LEU 12 N -3.66 4.33 0.75 2.11 1.43 -1.26 -5.03 118.68 117.34 2cr5 s LEU 12 Ca 0.33 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 2cr5 s LEU 12 Cb 0.00 -3.97 0.05 0.00 0.03 0.00 0.00 46.19 42.30 2cr5 s LEU 12 CO 0.18 -0.23 1.10 -2.16 0.23 0.00 0.00 176.35 175.46 2cr5 s PRO 13 N -2.03 2.37 -0.28 1.29 0.04 -1.26 -4.90 135.00 130.22 2cr5 s PRO 13 Ca 0.51 1.22 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 2cr5 s PRO 13 Cb -0.23 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2cr5 s PRO 13 CO 0.29 -1.57 2.22 -1.21 0.04 0.00 0.00 177.00 176.78 2cr5 s GLU 14 N -4.73 2.96 0.28 4.56 0.41 -1.26 -4.90 118.70 116.02 2cr5 s GLU 14 Ca 0.62 1.87 -0.29 0.00 -0.41 0.00 0.00 54.97 56.77 2cr5 s GLU 14 Cb -0.18 -4.40 -0.14 0.00 -1.78 0.00 0.00 34.13 27.63 2cr5 s GLU 14 CO 0.53 -2.30 1.14 -1.91 -0.49 0.00 0.00 175.26 172.23 2cr5 n GLU 15 N 8.79 1.58 -2.22 1.61 2.13 -1.26 -4.93 120.64 126.34 2cr5 n GLU 15 Ca 0.30 0.56 -0.35 0.00 0.66 0.00 0.00 57.16 58.33 2cr5 n GLU 15 Cb 0.47 -2.03 0.01 0.00 0.27 0.00 0.00 31.44 30.16 2cr5 n GLU 15 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2cr5 s PRO 16 N -1.30 3.32 0.65 5.31 0.04 -1.26 -5.02 135.00 136.73 2cr5 s PRO 16 Ca 0.61 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 63.12 2cr5 s PRO 16 Cb -0.69 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.83 2cr5 s PRO 16 CO 0.58 -0.88 1.05 -1.12 0.04 0.00 0.00 177.00 176.67 2cr5 s SER 17 N -1.83 5.68 0.00 6.66 0.01 -1.26 -4.80 113.70 118.16 2cr5 s SER 17 Ca 0.72 1.64 0.07 0.00 1.31 0.00 0.00 55.95 59.69 2cr5 s SER 17 Cb -0.24 -2.50 0.29 0.00 0.21 0.00 0.00 66.02 63.78 2cr5 s SER 17 CO 0.28 -1.24 1.17 -1.84 0.41 0.00 0.00 173.24 172.03 2cr5 n GLU 18 N -2.68 0.02 -0.11 12.44 0.00 -1.26 -0.79 120.64 128.27 2cr5 n GLU 18 Ca 0.08 0.35 0.10 0.00 0.00 0.00 0.00 57.16 57.68 2cr5 n GLU 18 Cb 0.53 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.63 2cr5 n GLU 18 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2cr5 n THR 19 N -1.45 0.34 -2.54 3.84 -2.24 -1.26 -4.97 114.28 106.01 2cr5 n THR 19 Ca 0.02 -0.67 -0.40 0.00 -2.27 0.00 0.00 64.05 60.73 2cr5 n THR 19 Cb 0.07 1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 2cr5 n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cr5 s ALA 20 N -1.47 3.39 0.93 6.98 0.00 0.03 -5.05 121.76 126.57 2cr5 s ALA 20 Ca 0.30 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 2cr5 s ALA 20 Cb 0.19 -3.31 0.17 0.00 0.00 0.00 0.00 23.12 20.17 2cr5 s ALA 20 CO 0.27 -0.09 1.28 -1.21 0.00 0.00 0.00 175.76 176.01 2cr5 s GLU 21 N -1.25 0.95 -1.38 0.00 0.41 -1.26 -4.03 118.70 112.14 2cr5 s GLU 21 Ca 0.44 -0.25 -0.15 0.00 -0.41 0.00 0.00 54.97 54.60 2cr5 s GLU 21 Cb -0.30 -1.87 0.15 0.00 -1.78 0.00 0.00 34.13 30.33 2cr5 s GLU 21 CO 0.38 -2.23 0.38 -0.85 -0.49 0.00 0.00 175.26 172.45 2cr5 n GLU 22 N -3.68 -0.81 -4.47 1.61 0.28 -1.26 -4.87 120.64 107.44 2cr5 n GLU 22 Ca 0.13 0.10 -0.23 0.00 -0.16 0.00 0.00 57.16 57.00 2cr5 n GLU 22 Cb 0.60 -3.40 -0.17 0.00 1.43 0.00 0.00 31.44 29.90 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2cr5 s VAL 23 N -2.88 0.99 0.41 3.84 1.01 -1.26 -1.62 120.40 120.88 2cr5 s VAL 23 Ca 0.53 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2cr5 s VAL 23 Cb -0.31 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2cr5 s VAL 23 CO 0.77 0.32 0.26 0.68 0.00 0.00 0.00 175.10 177.13 2cr5 s VAL 24 N 0.74 2.47 -0.04 2.92 -7.23 -0.83 -4.92 120.40 113.51 2cr5 s VAL 24 Ca -0.14 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2cr5 s VAL 24 Cb -0.15 -3.00 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 2cr5 s VAL 24 CO 0.03 -0.00 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.92 2cr5 s THR 25 N -2.54 4.18 -0.27 5.32 2.01 -1.26 -0.45 115.64 122.62 2cr5 s THR 25 Ca 0.44 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 2cr5 s THR 25 Cb 0.01 -2.82 0.08 0.00 0.01 0.00 0.00 72.50 69.79 2cr5 s THR 25 CO 0.25 0.47 0.05 -0.69 -0.69 0.00 0.00 174.62 174.01 2cr5 s VAL 26 N -1.00 0.98 -0.59 3.82 1.01 0.37 -2.08 120.40 122.92 2cr5 s VAL 26 Ca 0.17 -1.22 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 2cr5 s VAL 26 Cb -0.11 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.72 2cr5 s VAL 26 CO 0.07 -0.46 0.93 0.00 0.00 0.00 0.00 175.10 175.64 2cr5 s ALA 27 N 1.60 3.15 -0.40 5.51 0.00 -1.09 -2.05 121.76 128.48 2cr5 s ALA 27 Ca 0.05 -1.51 -0.25 0.00 0.00 0.00 0.00 51.96 50.24 2cr5 s ALA 27 Cb -0.18 -3.77 0.02 0.00 0.00 0.00 0.00 23.12 19.20 2cr5 s ALA 27 CO -0.17 -2.53 0.91 -1.17 0.00 0.00 0.00 175.76 172.80 2cr5 s LEU 28 N 3.94 4.02 0.03 0.00 2.96 0.13 -0.38 118.68 129.37 2cr5 s LEU 28 Ca 0.26 0.37 -0.22 0.00 -0.22 0.00 0.00 54.13 54.32 2cr5 s LEU 28 Cb -0.15 -3.20 -0.06 0.00 0.50 0.00 0.00 46.19 43.28 2cr5 s LEU 28 CO 0.15 -0.92 0.64 -0.13 -1.32 0.00 0.00 176.35 174.78 2cr5 s ARG 29 N 3.53 4.36 0.15 1.98 1.81 0.35 -0.90 118.95 130.23 2cr5 s ARG 29 Ca 0.37 0.84 -0.01 0.00 -1.72 0.00 0.00 55.73 55.21 2cr5 s ARG 29 Cb -0.11 -3.33 -0.04 0.00 -0.45 0.00 0.00 34.95 31.01 2cr5 s ARG 29 CO 0.21 0.39 0.32 0.00 -0.68 0.00 0.00 175.30 175.55 2cr5 n PRO 31 N -0.27 0.06 0.05 0.00 -0.04 -1.23 -2.12 135.00 131.45 2cr5 n PRO 31 Ca -0.05 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 2cr5 n PRO 31 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2cr5 n PRO 31 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cr5 n ASN 32 N -1.44 0.44 0.00 3.54 3.02 -1.26 -4.97 115.26 114.59 2cr5 n ASN 32 Ca 0.04 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2cr5 n ASN 32 Cb 0.15 1.20 0.00 0.00 -0.61 0.00 0.00 39.78 40.52 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cr5 n GLY 33 N 1.22 1.58 3.77 7.41 0.00 -0.90 -5.11 105.19 113.16 2cr5 n GLY 33 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N 0.00 4.35 -0.29 1.61 0.52 -1.26 -4.80 118.95 119.08 2cr5 s ARG 34 Ca 0.00 1.76 0.02 0.00 -0.52 0.00 0.00 55.73 56.99 2cr5 s ARG 34 Cb 0.00 -2.88 0.08 0.00 0.52 0.00 0.00 34.95 32.67 2cr5 s ARG 34 CO 0.00 -0.04 -0.01 0.08 0.02 0.00 0.00 175.30 175.36 2cr5 s VAL 35 N -1.36 1.82 -0.35 3.52 1.01 -1.26 0.23 120.40 124.02 2cr5 s VAL 35 Ca 0.51 -1.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 2cr5 s VAL 35 Cb -0.29 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2cr5 s VAL 35 CO 0.37 -0.34 0.38 -0.76 0.00 0.00 0.00 175.10 174.76 2cr5 s LEU 36 N 1.20 4.47 -0.16 3.92 1.43 -0.08 -4.93 118.68 124.52 2cr5 s LEU 36 Ca 0.02 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 52.78 2cr5 s LEU 36 Cb -0.19 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 2cr5 s LEU 36 CO -0.09 -0.38 0.12 -0.13 0.23 0.00 0.00 176.35 176.10 2cr5 s ARG 37 N 2.07 3.84 -0.13 1.70 0.52 -1.26 0.17 118.95 125.85 2cr5 s ARG 37 Ca 0.12 -0.21 -0.14 0.00 -0.52 0.00 0.00 55.73 54.98 2cr5 s ARG 37 Cb -0.16 -3.28 0.04 0.00 0.52 0.00 0.00 34.95 32.06 2cr5 s ARG 37 CO 0.12 0.49 0.39 0.50 0.02 0.00 0.00 175.30 176.82 2cr5 s ARG 38 N -0.20 0.48 0.50 3.54 3.52 -0.87 -4.99 118.95 120.93 2cr5 s ARG 38 Ca 0.10 0.48 -0.08 0.00 -0.13 0.00 0.00 55.73 56.10 2cr5 s ARG 38 Cb -0.12 0.23 -0.05 0.00 -1.56 0.00 0.00 34.95 33.46 2cr5 s ARG 38 CO 0.01 -0.07 0.85 1.03 -0.81 0.00 0.00 175.30 176.31 2cr5 s ARG 39 N 0.06 3.63 -0.25 5.12 0.52 -1.26 -0.48 118.95 126.29 2cr5 s ARG 39 Ca -0.01 0.43 -0.12 0.00 -0.52 0.00 0.00 55.73 55.51 2cr5 s ARG 39 Cb -0.03 -2.30 0.09 0.00 0.52 0.00 0.00 34.95 33.24 2cr5 s ARG 39 CO 0.01 -0.26 0.59 -0.06 0.02 0.00 0.00 175.30 175.60 2cr5 s PHE 40 N -2.75 -1.02 1.13 -0.53 0.08 0.40 -4.64 117.98 110.65 2cr5 s PHE 40 Ca 0.51 1.94 -0.18 0.00 0.12 0.00 0.00 56.93 59.32 2cr5 s PHE 40 Cb -0.10 0.57 0.15 0.00 -0.57 0.00 0.00 43.02 43.06 2cr5 s PHE 40 CO 0.43 -0.52 0.15 1.19 -0.10 0.00 0.00 175.22 176.37 2cr5 n PHE 41 N 4.74 -1.73 1.15 0.36 3.72 -1.26 -1.97 117.46 122.47 2cr5 n PHE 41 Ca -0.17 0.03 0.12 0.00 -0.05 0.00 0.00 57.45 57.39 2cr5 n PHE 41 Cb 0.54 -1.52 0.33 0.00 -0.94 0.00 0.00 39.48 37.90 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -2.40 1.98 -0.07 -1.08 5.02 -0.64 -4.00 118.16 116.96 2cr5 n LYS 42 Ca 0.02 -1.45 -0.09 0.00 -2.02 0.00 0.00 58.31 54.78 2cr5 n LYS 42 Cb 0.57 -1.46 -0.15 0.00 -0.02 0.00 0.00 35.03 33.96 2cr5 n LYS 42 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2cr5 n SER 43 N 0.72 0.24 -4.77 4.39 2.88 -1.26 -3.66 113.62 112.16 2cr5 n SER 43 Ca 0.17 0.11 -0.41 0.00 -1.33 0.00 0.00 58.87 57.41 2cr5 n SER 43 Cb 0.46 0.74 -0.01 0.00 -0.75 0.00 0.00 64.21 64.65 2cr5 n SER 43 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2cr5 s TRP 44 N -2.56 2.81 0.15 0.66 0.51 -1.26 -4.69 118.94 114.57 2cr5 s TRP 44 Ca -0.08 1.24 -0.25 0.00 -2.12 0.00 0.00 56.10 54.89 2cr5 s TRP 44 Cb 0.07 -3.87 -0.08 0.00 -0.81 0.00 0.00 33.47 28.78 2cr5 s TRP 44 CO 0.83 -2.53 0.78 1.21 -0.51 0.00 0.00 176.95 176.73 2cr5 s ASN 45 N -0.22 7.37 0.35 2.95 3.84 -1.26 -1.99 114.94 125.97 2cr5 s ASN 45 Ca 0.52 1.62 0.28 0.00 0.21 0.00 0.00 52.86 55.50 2cr5 s ASN 45 Cb -0.43 -2.50 1.13 0.00 -0.55 0.00 0.00 41.25 38.90 2cr5 s ASN 45 CO 0.57 0.18 1.11 -1.54 -2.79 0.00 0.00 177.10 174.63 2cr5 n SER 46 N 1.79 0.09 -0.30 -4.21 3.41 -1.26 -0.27 113.62 112.87 2cr5 n SER 46 Ca -0.05 0.88 -0.12 0.00 -0.26 0.00 0.00 58.87 59.31 2cr5 n SER 46 Cb 0.49 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 2cr5 n SER 46 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2cr5 h GLN 47 N 0.00 -0.16 -1.32 4.33 5.75 -1.90 0.51 115.11 122.31 2cr5 h GLN 47 Ca 0.65 0.01 0.43 0.00 -0.15 0.00 0.00 58.65 59.58 2cr5 h GLN 47 Cb 2.29 0.04 -0.10 0.00 1.07 0.00 0.00 27.48 30.78 2cr5 h GLN 47 CO -0.20 -0.11 0.89 1.55 -2.65 0.00 0.00 178.83 178.31 2cr5 n VAL 48 N -5.31 -0.14 0.47 2.39 3.14 0.63 0.29 118.33 119.79 2cr5 n VAL 48 Ca -0.00 1.42 -0.20 0.00 -2.96 0.00 0.00 64.34 62.60 2cr5 n VAL 48 Cb 0.30 -2.34 -0.10 0.00 -1.06 0.00 0.00 33.84 30.63 2cr5 n VAL 48 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cr5 h LEU 49 N 0.00 -1.23 -1.68 6.55 3.38 -0.13 -1.16 115.31 121.05 2cr5 h LEU 49 Ca 0.75 0.06 0.34 0.00 0.09 0.00 0.00 57.88 59.12 2cr5 h LEU 49 Cb 2.64 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 43.66 2cr5 h LEU 49 CO -0.26 -0.78 0.81 -0.07 0.09 0.00 0.00 178.44 178.22 2cr5 h LEU 50 N -1.26 0.20 0.12 1.67 3.38 -0.22 0.52 115.31 119.72 2cr5 h LEU 50 Ca -0.12 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2cr5 h LEU 50 Cb 1.00 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2cr5 h LEU 50 CO 0.14 0.01 -0.06 0.44 0.09 0.00 0.00 178.44 179.06 2cr5 h ASP 51 N 0.16 -0.14 -0.10 -0.43 3.32 -1.27 -2.93 116.42 115.03 2cr5 h ASP 51 Ca 0.62 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 57.32 2cr5 h ASP 51 Cb 2.08 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 41.66 2cr5 h ASP 51 CO -0.17 0.35 0.14 -0.25 -1.72 0.00 0.00 179.24 177.59 2cr5 h TRP 52 N -0.68 0.00 -0.00 4.55 7.01 0.28 0.49 115.95 127.59 2cr5 h TRP 52 Ca -0.02 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.81 2cr5 h TRP 52 Cb 0.51 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 2cr5 h TRP 52 CO 0.08 0.00 -0.81 1.98 -2.79 0.00 0.00 178.44 176.90 2cr5 h MET 53 N 0.00 0.11 0.00 2.65 4.05 -1.12 -2.85 114.93 117.77 2cr5 h MET 53 Ca 0.05 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2cr5 h MET 53 Cb 0.33 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 2cr5 h MET 53 CO -0.00 0.86 0.00 0.52 0.23 0.00 0.00 176.91 178.52 2cr5 h MET 54 N 0.06 0.00 0.05 0.39 2.86 -0.05 0.11 114.93 118.35 2cr5 h MET 54 Ca -0.02 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.47 2cr5 h MET 54 Cb 1.42 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.07 2cr5 h MET 54 CO 0.12 0.00 -0.74 0.87 1.06 0.00 0.00 176.91 178.22 2cr5 h LYS 55 N 0.00 0.11 -0.03 1.72 6.56 -1.38 -3.33 116.57 120.22 2cr5 h LYS 55 Ca 0.00 -0.19 0.01 0.00 -1.06 0.00 0.00 60.65 59.41 2cr5 h LYS 55 Cb 0.73 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.46 2cr5 h LYS 55 CO 0.00 1.09 0.02 -0.39 -2.06 0.00 0.00 179.45 178.12 2cr5 h VAL 56 N -0.73 0.65 0.00 0.50 -1.51 -1.55 -3.45 116.25 110.17 2cr5 h VAL 56 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2cr5 h VAL 56 Cb 1.36 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 2cr5 h VAL 56 CO -0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2cr5 n GLY 57 N -1.39 0.96 3.20 5.19 0.00 -1.18 -5.13 105.19 106.84 2cr5 n GLY 57 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -1.92 -0.54 0.48 1.61 2.02 0.36 -5.02 117.35 114.34 2cr5 s TYR 58 Ca 0.00 1.15 -0.03 0.00 -0.37 0.00 0.00 57.07 57.82 2cr5 s TYR 58 Cb 0.00 0.19 -0.02 0.00 -0.40 0.00 0.00 41.96 41.73 2cr5 s TYR 58 CO 0.00 -0.33 0.75 -1.58 -1.57 0.00 0.00 175.55 172.82 2cr5 s HIS 59 N 1.53 3.41 -0.05 2.71 2.46 -1.26 -1.75 115.29 122.35 2cr5 s HIS 59 Ca -0.08 0.58 0.03 0.00 0.47 0.00 0.00 55.06 56.06 2cr5 s HIS 59 Cb -0.09 -2.34 -0.25 0.00 -0.13 0.00 0.00 32.58 29.77 2cr5 s HIS 59 CO -0.11 -0.36 0.65 1.57 -2.47 0.00 0.00 174.74 174.02 2cr5 h LYS 60 N 0.25 0.13 0.00 2.88 2.10 -1.86 -2.04 116.57 118.03 2cr5 h LYS 60 Ca -0.47 -0.23 -0.02 0.00 -2.00 0.00 0.00 60.65 57.93 2cr5 h LYS 60 Cb 1.23 0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2cr5 h LYS 60 CO 0.60 0.86 -0.10 1.03 -2.00 0.00 0.00 179.45 179.85 2cr5 h SER 61 N 0.04 0.00 0.00 7.07 0.87 -1.99 -2.96 113.55 116.58 2cr5 h SER 61 Ca -0.30 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.92 2cr5 h SER 61 Cb 2.01 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.91 2cr5 h SER 61 CO 0.10 0.10 -2.25 0.18 -0.53 0.00 0.00 176.83 174.43 2cr5 n LEU 62 N -3.51 0.54 -4.22 2.23 4.77 -1.25 -4.85 117.00 110.71 2cr5 n LEU 62 Ca -0.02 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.70 2cr5 n LEU 62 Cb 0.24 0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.40 2cr5 n LEU 62 CO 0.29 0.53 -0.51 -0.31 -1.33 0.00 0.00 177.39 176.05 2cr5 s TYR 63 N -2.44 1.68 0.44 -1.77 1.51 -0.77 -0.32 117.35 115.68 2cr5 s TYR 63 Ca -0.13 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 2cr5 s TYR 63 Cb 0.06 -1.02 0.02 0.00 -0.11 0.00 0.00 41.96 40.91 2cr5 s TYR 63 CO 0.70 0.05 0.18 2.89 -1.11 0.00 0.00 175.55 178.27 2cr5 n ARG 64 N 2.04 0.89 -4.37 -0.62 1.85 0.08 -3.99 116.66 112.56 2cr5 n ARG 64 Ca -0.17 -2.94 -0.28 0.00 -1.00 0.00 0.00 57.85 53.47 2cr5 n ARG 64 Cb 0.54 0.54 -0.12 0.00 -1.05 0.00 0.00 32.46 32.37 2cr5 n ARG 64 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2cr5 s LEU 65 N 0.00 2.55 0.19 2.89 1.43 -1.26 -2.91 118.68 121.58 2cr5 s LEU 65 Ca 0.14 -0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 52.32 2cr5 s LEU 65 Cb -0.01 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.91 2cr5 s LEU 65 CO 0.09 0.14 0.57 -0.44 0.23 0.00 0.00 176.35 176.95 2cr5 s SER 66 N -2.45 -0.36 0.36 2.29 0.01 -1.22 -1.88 113.70 110.46 2cr5 s SER 66 Ca 0.19 -0.34 -0.16 0.00 1.31 0.00 0.00 55.95 56.95 2cr5 s SER 66 Cb -0.09 0.61 -0.09 0.00 0.21 0.00 0.00 66.02 66.65 2cr5 s SER 66 CO 0.10 -1.07 0.80 0.42 0.41 0.00 0.00 173.24 173.90 2cr5 s THR 67 N -3.84 4.61 0.03 1.44 -4.23 -1.03 -1.84 115.64 110.77 2cr5 s THR 67 Ca 0.07 1.08 -0.25 0.00 -1.18 0.00 0.00 61.69 61.40 2cr5 s THR 67 Cb -0.02 -3.61 -0.18 0.00 1.34 0.00 0.00 72.50 70.03 2cr5 s THR 67 CO -0.05 -0.24 1.47 0.77 -0.54 0.00 0.00 174.62 176.03 2cr5 h SER 68 N 2.10 -0.06 -2.65 3.99 4.64 -1.82 -3.38 113.55 116.36 2cr5 h SER 68 Ca -0.48 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 60.57 2cr5 h SER 68 Cb 1.18 0.01 -0.24 0.00 -0.31 0.00 0.00 62.40 63.04 2cr5 h SER 68 CO 0.64 0.20 -0.22 0.12 -0.87 0.00 0.00 176.83 176.71 2cr5 s PHE 69 N -5.16 -0.93 0.00 4.77 2.19 -1.26 -4.35 117.98 113.23 2cr5 s PHE 69 Ca -0.15 1.78 0.00 0.00 0.33 0.00 0.00 56.93 58.89 2cr5 s PHE 69 Cb 0.04 0.48 0.00 0.00 -1.31 0.00 0.00 43.02 42.23 2cr5 s PHE 69 CO 0.65 -0.50 0.00 -0.35 1.83 0.00 0.00 175.22 176.85 2cr5 n PRO 70 N 4.93 -0.63 -3.39 10.12 -0.04 -1.26 -5.06 135.00 139.67 2cr5 n PRO 70 Ca -0.15 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.86 2cr5 n PRO 70 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 2cr5 n PRO 70 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2cr5 s ARG 71 N -2.42 3.21 0.04 0.54 3.52 -1.26 -4.50 118.95 118.08 2cr5 s ARG 71 Ca 0.00 -2.19 0.05 0.00 -0.13 0.00 0.00 55.73 53.46 2cr5 s ARG 71 Cb 0.00 -4.27 -0.02 0.00 -1.56 0.00 0.00 34.95 29.10 2cr5 s ARG 71 CO 0.00 -1.28 -0.14 1.03 -0.81 0.00 0.00 175.30 174.10 2cr5 s ARG 72 N 0.67 0.90 -0.26 5.12 0.52 -1.26 -4.99 118.95 119.64 2cr5 s ARG 72 Ca 0.12 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.26 2cr5 s ARG 72 Cb -0.18 -0.90 -0.01 0.00 0.52 0.00 0.00 34.95 34.38 2cr5 s ARG 72 CO -0.04 0.22 1.36 0.00 0.02 0.00 0.00 175.30 176.86 2cr5 s ALA 73 N -0.92 3.40 0.55 2.13 0.00 -1.26 -2.47 121.76 123.19 2cr5 s ALA 73 Ca 0.01 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 2cr5 s ALA 73 Cb -0.08 -3.76 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 2cr5 s ALA 73 CO 0.01 -1.70 0.96 -0.51 0.00 0.00 0.00 175.76 174.52 2cr5 s LEU 74 N 4.38 3.45 0.48 0.00 1.43 -0.79 -4.99 118.68 122.65 2cr5 s LEU 74 Ca 0.59 1.36 0.02 0.00 -1.03 0.00 0.00 54.13 55.07 2cr5 s LEU 74 Cb -0.19 -4.35 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 2cr5 s LEU 74 CO 0.23 -0.71 0.03 -1.61 0.23 0.00 0.00 176.35 174.53 2cr5 s GLU 75 N -4.70 2.12 -0.25 1.70 2.02 -1.26 -4.66 118.70 113.67 2cr5 s GLU 75 Ca 0.54 -2.33 -0.00 0.00 0.02 0.00 0.00 54.97 53.20 2cr5 s GLU 75 Cb -0.11 -1.31 0.07 0.00 0.10 0.00 0.00 34.13 32.89 2cr5 s GLU 75 CO 0.45 -0.37 0.01 0.08 0.02 0.00 0.00 175.26 175.45 2cr5 s VAL 76 N -2.95 1.12 -0.53 2.63 1.01 -1.26 -5.03 120.40 115.39 2cr5 s VAL 76 Ca 0.12 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 2cr5 s VAL 76 Cb 0.02 -1.59 0.13 0.00 0.00 0.00 0.00 36.38 34.95 2cr5 s VAL 76 CO 0.07 -0.29 0.44 -0.70 0.00 0.00 0.00 175.10 174.61 2cr5 s GLU 77 N 1.56 2.75 0.41 2.72 2.12 -1.26 -4.94 118.70 122.06 2cr5 s GLU 77 Ca 0.00 -1.84 0.22 0.00 0.36 0.00 0.00 54.97 53.71 2cr5 s GLU 77 Cb -0.18 -4.09 1.20 0.00 0.26 0.00 0.00 34.13 31.32 2cr5 s GLU 77 CO -0.11 -1.25 1.74 0.78 -0.54 0.00 0.00 175.26 175.88 2cr5 h GLY 78 N 8.49 1.17 0.53 -1.50 0.00 -1.98 -1.86 103.07 107.93 2cr5 h GLY 78 Ca -0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 2cr5 h GLY 78 CO 0.91 -0.19 -0.17 -1.33 0.00 0.00 0.00 176.54 175.76 2cr5 h GLY 79 N 0.31 -0.49 -4.02 4.60 0.00 -2.02 -3.44 103.07 98.00 2cr5 h GLY 79 Ca 0.64 0.18 -0.51 0.00 0.00 0.00 0.00 47.33 47.64 2cr5 h GLY 79 CO -0.31 -0.18 0.44 -0.56 0.00 0.00 0.00 176.54 175.93 2cr5 s SER 80 N -5.06 7.36 0.94 0.19 0.01 -0.70 -5.05 113.70 111.39 2cr5 s SER 80 Ca -0.12 2.03 -0.13 0.00 1.31 0.00 0.00 55.95 59.04 2cr5 s SER 80 Cb 0.01 -2.60 0.21 0.00 0.21 0.00 0.00 66.02 63.85 2cr5 s SER 80 CO 0.44 -0.14 1.26 -1.54 0.41 0.00 0.00 173.24 173.67 2cr5 n SER 81 N 2.23 0.41 0.02 2.44 3.41 -1.26 -4.40 113.62 116.47 2cr5 n SER 81 Ca 0.02 -1.65 -0.10 0.00 -0.26 0.00 0.00 58.87 56.88 2cr5 n SER 81 Cb 0.47 -0.93 -0.04 0.00 -0.26 0.00 0.00 64.21 63.45 2cr5 n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2cr5 h LEU 82 N 0.00 -0.35 -1.82 1.04 3.38 -1.60 0.81 115.31 116.77 2cr5 h LEU 82 Ca -0.41 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2cr5 h LEU 82 Cb 1.20 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 2cr5 h LEU 82 CO 0.32 -0.16 -0.15 -0.08 0.09 0.00 0.00 178.44 178.46 2cr5 h GLU 83 N -0.16 0.00 -0.10 1.13 4.81 -1.65 0.21 114.58 118.82 2cr5 h GLU 83 Ca 0.07 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.13 2cr5 h GLU 83 Cb 0.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.65 2cr5 h GLU 83 CO -0.18 0.15 -0.62 -0.44 -0.73 0.00 0.00 179.01 177.19 2cr5 h ASP 84 N 0.00 0.72 0.64 1.04 5.19 -1.52 -3.06 116.42 119.44 2cr5 h ASP 84 Ca -0.00 -0.65 0.00 0.00 -0.62 0.00 0.00 57.03 55.76 2cr5 h ASP 84 Cb 0.34 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.63 2cr5 h ASP 84 CO 0.02 1.26 0.00 2.30 -3.12 0.00 0.00 179.24 179.70 2cr5 n ILE 85 N -4.13 0.59 0.00 0.35 -5.35 0.15 -4.84 119.36 106.13 2cr5 n ILE 85 Ca -0.08 0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 2cr5 n ILE 85 Cb 0.66 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 2cr5 n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cr5 n GLY 86 N 0.55 0.75 2.36 3.28 0.00 -0.93 -5.08 105.19 106.12 2cr5 n GLY 86 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 1.03 0.39 -0.61 2.08 0.69 -4.83 119.36 118.12 2cr5 n ILE 87 Ca 0.00 -4.74 0.06 0.00 0.56 0.00 0.00 62.75 58.63 2cr5 n ILE 87 Cb 0.00 -1.80 0.07 0.00 -0.75 0.00 0.00 39.64 37.16 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2cr5 n THR 88 N 0.89 0.16 -4.05 1.39 -2.24 -1.26 -3.76 114.28 105.42 2cr5 n THR 88 Ca 0.26 -0.58 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 2cr5 n THR 88 Cb 0.48 1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 69.74 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -1.02 0.18 -0.39 2.28 -7.23 -1.26 -4.95 120.40 108.01 2cr5 s VAL 89 Ca 0.16 -1.51 -0.43 0.00 -1.81 0.00 0.00 61.98 58.39 2cr5 s VAL 89 Cb 0.11 -1.12 -0.19 0.00 0.56 0.00 0.00 36.38 35.74 2cr5 s VAL 89 CO 0.16 -0.83 1.43 -0.90 -0.31 0.00 0.00 175.10 174.64 2cr5 n ASP 90 N 0.58 0.95 -4.06 4.85 5.75 -1.26 -4.80 116.55 118.55 2cr5 n ASP 90 Ca -0.17 1.12 -0.19 0.00 -0.01 0.00 0.00 54.79 55.54 2cr5 n ASP 90 Cb 0.59 -0.84 -0.14 0.00 -1.03 0.00 0.00 41.12 39.70 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2cr5 s THR 91 N 2.36 0.80 -0.18 2.12 2.01 -0.88 -5.00 115.64 116.86 2cr5 s THR 91 Ca 0.97 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 2cr5 s THR 91 Cb -1.38 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 2cr5 s THR 91 CO 0.73 0.11 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.02 2cr5 s VAL 92 N -0.47 3.48 0.13 3.82 1.01 -1.26 -2.65 120.40 124.46 2cr5 s VAL 92 Ca 0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2cr5 s VAL 92 Cb -0.05 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2cr5 s VAL 92 CO 0.00 0.46 0.30 -0.76 0.00 0.00 0.00 175.10 175.10 2cr5 s LEU 93 N 0.88 4.31 -0.24 3.92 1.43 0.49 -2.35 118.68 127.12 2cr5 s LEU 93 Ca -0.01 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2cr5 s LEU 93 Cb -0.15 -3.06 0.06 0.00 0.03 0.00 0.00 46.19 43.08 2cr5 s LEU 93 CO 0.01 0.07 -0.04 0.20 0.23 0.00 0.00 176.35 176.82 2cr5 s ASN 94 N -2.83 3.90 -0.65 2.29 -0.87 -0.77 -0.49 114.94 115.53 2cr5 s ASN 94 Ca 0.37 -1.24 -0.27 0.00 -1.57 0.00 0.00 52.86 50.14 2cr5 s ASN 94 Cb -0.12 -1.19 0.01 0.00 -0.02 0.00 0.00 41.25 39.94 2cr5 s ASN 94 CO 0.28 -0.25 1.44 -0.69 -2.57 0.00 0.00 177.10 175.31 2cr5 s VAL 95 N 1.38 3.68 0.07 1.60 1.01 0.79 -3.40 120.40 125.53 2cr5 s VAL 95 Ca -0.05 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.50 2cr5 s VAL 95 Cb -0.19 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.61 2cr5 s VAL 95 CO -0.07 -1.41 -0.21 -1.61 0.00 0.00 0.00 175.10 171.80 2cr5 s GLU 96 N 5.88 1.86 0.45 2.72 0.41 -1.14 -3.54 118.70 125.35 2cr5 s GLU 96 Ca 0.48 -1.10 -0.25 0.00 -0.41 0.00 0.00 54.97 53.69 2cr5 s GLU 96 Cb -0.10 -2.09 -0.08 0.00 -1.78 0.00 0.00 34.13 30.08 2cr5 s GLU 96 CO 0.20 0.51 1.43 -1.21 -0.49 0.00 0.00 175.26 175.70 2cr5 s GLU 97 N -1.61 3.66 -0.06 1.61 2.02 -1.26 -0.74 118.70 122.32 2cr5 s GLU 97 Ca 0.14 2.42 0.03 0.00 0.02 0.00 0.00 54.97 57.58 2cr5 s GLU 97 Cb -0.10 -2.64 0.17 0.00 0.10 0.00 0.00 34.13 31.66 2cr5 s GLU 97 CO 0.06 -0.84 0.84 1.63 0.02 0.00 0.00 175.26 176.96 2cr5 n LYS 98 N -0.23 1.77 -2.90 1.61 5.02 0.57 -4.73 118.16 119.26 2cr5 n LYS 98 Ca 0.05 -0.68 -0.18 0.00 -2.02 0.00 0.00 58.31 55.48 2cr5 n LYS 98 Cb 0.42 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 2cr5 n LYS 98 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2cr5 n GLU 99 N 0.14 -1.44 -2.20 1.97 0.28 -1.26 -4.84 120.64 113.29 2cr5 n GLU 99 Ca 0.07 0.06 -0.28 0.00 -0.16 0.00 0.00 57.16 56.85 2cr5 n GLU 99 Cb 0.50 -3.19 0.04 0.00 1.43 0.00 0.00 31.44 30.22 2cr5 n GLU 99 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 2cr5 s GLN 100 N -4.55 2.85 0.12 3.44 1.03 -1.26 -5.10 119.66 116.18 2cr5 s GLN 100 Ca 0.34 0.15 0.01 0.00 0.04 0.00 0.00 55.36 55.90 2cr5 s GLN 100 Cb -0.20 -2.17 -0.04 0.00 0.03 0.00 0.00 33.01 30.62 2cr5 s GLN 100 CO 0.42 -0.86 -0.02 -1.12 -2.54 0.00 0.00 175.29 171.18 2cr5 s SER 101 N -4.34 0.93 0.00 12.60 0.01 -1.26 -5.15 113.70 116.49 2cr5 s SER 101 Ca 0.56 -1.09 -0.29 0.00 1.31 0.00 0.00 55.95 56.44 2cr5 s SER 101 Cb -0.11 0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.34 2cr5 s SER 101 CO 0.47 -0.56 0.65 -0.44 0.41 0.00 0.00 173.24 173.78 2cr5 s SER 102 N -3.06 -0.63 -0.36 2.44 0.01 -1.26 -5.12 113.70 105.72 2cr5 s SER 102 Ca 0.17 0.53 -0.29 0.00 1.31 0.00 0.00 55.95 57.67 2cr5 s SER 102 Cb 0.06 0.55 -0.00 0.00 0.21 0.00 0.00 66.02 66.84 2cr5 s SER 102 CO -0.02 -0.69 1.59 -1.10 0.41 0.00 0.00 173.24 173.43 2cr5 s GLN 103 N -1.82 3.50 -0.02 12.44 1.11 -1.26 -4.99 119.66 128.63 2cr5 s GLN 103 Ca -0.08 1.21 0.05 0.00 0.01 0.00 0.00 55.36 56.55 2cr5 s GLN 103 Cb -0.00 -4.10 -0.01 0.00 -1.01 0.00 0.00 33.01 27.89 2cr5 s GLN 103 CO 0.04 -1.66 -0.16 -1.12 0.01 0.00 0.00 175.29 172.41 2cr5 s SER 104 N 4.85 1.88 0.00 5.90 0.01 -1.26 -4.97 113.70 120.12 2cr5 s SER 104 Ca 0.70 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2cr5 s SER 104 Cb -0.18 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.77 2cr5 s SER 104 CO 0.33 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.77 2cr5 n GLY 105 N 2.79 0.25 3.69 3.44 0.00 -1.26 -5.10 105.19 109.00 2cr5 n GLY 105 Ca -0.15 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2cr5 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr5 s PRO 106 N 0.00 4.27 -0.17 1.61 0.04 -1.26 -5.00 135.00 134.49 2cr5 s PRO 106 Ca 0.00 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.88 2cr5 s PRO 106 Cb 0.00 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 2cr5 s PRO 106 CO 0.00 -0.60 0.53 -1.12 0.04 0.00 0.00 177.00 175.85 2cr5 s SER 107 N 1.95 6.63 -0.07 6.66 0.01 -1.26 -5.05 113.70 122.56 2cr5 s SER 107 Ca 0.65 0.75 -0.02 0.00 1.31 0.00 0.00 55.95 58.64 2cr5 s SER 107 Cb -0.33 -2.30 0.04 0.00 0.21 0.00 0.00 66.02 63.63 2cr5 s SER 107 CO 0.27 -0.14 0.05 -0.94 0.41 0.00 0.00 173.24 172.89 2cr5 s SER 108 N 1.01 1.51 0.00 2.44 1.04 -1.26 -5.31 113.70 113.13 2cr5 s SER 108 Ca 0.26 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2cr5 s SER 108 Cb -0.15 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.72 2cr5 s SER 108 CO 0.10 -0.26 0.15 0.61 0.98 0.00 0.00 173.24 174.83